*HEADER    CALCIUM-BINDING PROTEIN                 04-JUN-96   1CFP      
*TITLE     S100B (S100BETA) NMR DATA WAS COLLECTED FROM A SAMPLE OF      
*TITLE    2 CALCIUM FREE PROTEIN AT PH 6.3 AND A TEMPERATURE OF 311 K    
*TITLE    3 AND 1.7-6.9 MM CONCENTRATION, 25 STRUCTURES                  
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: S100B;                                             
*COMPND   3 CHAIN: A, B;                                                 
*COMPND   4 SYNONYM: S100BETA, S-100B;                                   
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: N-TERMINAL METHIONINE REPLACES N-TERMINAL ACETYL   
*COMPND   7 GROUP OF THE NATURAL PROTEIN                                 
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                             
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                     
*SOURCE   4 PLASMID: PET-12A-S100B;                                      
*SOURCE   5 GENE: S100B;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   7 OTHER_DETAILS: THE GENE IS A SYNTHETIC DNA FOR THE BOVINE    
*SOURCE   8 SEQUENCE WITH ESCHERICHIA COLI CODON USAGE                   
*KEYWDS    HELIX-LOOP-HELIX, CALCIUM-BINDING PROTEIN                     
*EXPDTA    NMR, 25 STRUCTURES                                            
*AUTHOR    P.M.KILBY,L.J.VANELDIK,G.C.K.ROBERTS                          
*REVDAT   1   12-OCT-04 1CFP    0   

!assi ((resi 75 and name HB# and segid "a") )((resi 76 and name HE# and segid "a") ) 5.06398 3.03839 1.0128
!assi ((resi 75 and name HB# and segid "b") )((resi 76 and name HE# and segid "b") ) 5.06398 3.03839 1.0128
assi ((resi 35 and name HD## and segid "a") )((resi 14 and name HD# and segid "a") ) 9.67921 5.80753 1.93584
assi ((resi 35 and name HD## and segid "b") )((resi 14 and name HD# and segid "b") ) 9.67921 5.80753 1.93584
assi ((resi 27 and name HD## and segid "a") )((resi 14 and name HD# and segid "a") ) 5.57271 3.34362 1.11454
assi ((resi 27 and name HD## and segid "b") )((resi 14 and name HD# and segid "b") ) 5.57271 3.34362 1.11454
assi ((resi 68 and name HB# and segid "a") )((resi 68 and name HA and segid "a") ) 3.00914 1.80549 1.006
assi ((resi 68 and name HB# and segid "b") )((resi 68 and name HA and segid "b") ) 3.00914 1.80549 1.006
assi ((resi 68 and name HB# and segid "a") )((resi 68 and name HA and segid "a") ) 3.12752 1.87651 1.006
assi ((resi 68 and name HB# and segid "b") )((resi 68 and name HA and segid "b") ) 3.12752 1.87651 1.006
assi ((resi 40 and name HB# and segid "a") )((resi 40 and name HA and segid "a") ) 3.10326 1.86195 1.006
assi ((resi 40 and name HB# and segid "b") )((resi 40 and name HA and segid "b") ) 3.10326 1.86195 1.006
assi ((resi 40 and name HB# and segid "a") )((resi 40 and name HA and segid "a") ) 3.54116 2.1247 1.006
assi ((resi 40 and name HB# and segid "b") )((resi 40 and name HA and segid "b") ) 3.54116 2.1247 1.006
assi ((resi 40 and name HD## and segid "a") )((resi 40 and name HA and segid "a") ) 5.12364 3.07418 1.02473
assi ((resi 40 and name HD## and segid "b") )((resi 40 and name HA and segid "b") ) 5.12364 3.07418 1.02473
assi ((resi 40 and name HD## and segid "a") )((resi 40 and name HA and segid "a") ) 5.13324 3.07994 1.02665
assi ((resi 40 and name HD## and segid "b") )((resi 40 and name HA and segid "b") ) 5.13324 3.07994 1.02665
assi ((resi 40 and name HD## and segid "a") )((resi 40 and name HA and segid "a") ) 3.45918 2.07551 1.006
assi ((resi 40 and name HD## and segid "b") )((resi 40 and name HA and segid "b") ) 3.45918 2.07551 1.006
assi ((resi 47 and name HD1# and segid "a") )((resi 49 and name HA and segid "a") ) 6.2253 3.73518 1.24506
assi ((resi 47 and name HD1# and segid "b") )((resi 49 and name HA and segid "b") ) 6.2253 3.73518 1.24506
assi ((resi 43 and name HB# and segid "a") )((resi 46 and name HA and segid "a") ) 4.14608 2.48765 1.006
assi ((resi 43 and name HB# and segid "b") )((resi 46 and name HA and segid "b") ) 4.14608 2.48765 1.006
assi ((resi 43 and name HB# and segid "a") )((resi 46 and name HA and segid "a") ) 4.00041 2.40025 1.006
assi ((resi 43 and name HB# and segid "b") )((resi 46 and name HA and segid "b") ) 4.00041 2.40025 1.006
assi ((resi 49 and name HG# and segid "a") )((resi 46 and name HA and segid "a") ) 2.71454 1.62873 1.006
assi ((resi 49 and name HG# and segid "b") )((resi 46 and name HA and segid "b") ) 2.71454 1.62873 1.006
assi ((resi 46 and name HB# and segid "a") )((resi 46 and name HA and segid "a") ) 3.13194 1.87916 1.006
assi ((resi 46 and name HB# and segid "b") )((resi 46 and name HA and segid "b") ) 3.13194 1.87916 1.006
assi ((resi 46 and name HB# and segid "a") )((resi 46 and name HA and segid "a") ) 3.13194 1.87916 1.006
assi ((resi 46 and name HB# and segid "b") )((resi 46 and name HA and segid "b") ) 3.13194 1.87916 1.006
assi ((resi 32 and name HB# and segid "a") )((resi 29 and name HA and segid "a") ) 3.41086 2.04651 1.006
assi ((resi 32 and name HB# and segid "b") )((resi 29 and name HA and segid "b") ) 3.41086 2.04651 1.006
assi ((resi 29 and name HG# and segid "a") )((resi 29 and name HA and segid "a") ) 3.6021 2.16126 1.006
assi ((resi 29 and name HG# and segid "b") )((resi 29 and name HA and segid "b") ) 3.6021 2.16126 1.006
assi ((resi 29 and name HG# and segid "a") )((resi 29 and name HA and segid "a") ) 2.29008 1.37405 1.006
assi ((resi 29 and name HG# and segid "b") )((resi 29 and name HA and segid "b") ) 2.29008 1.37405 1.006
assi ((resi 60 and name HB# and segid "a") )((resi 60 and name HD## and segid "a") ) 3.71685 2.23011 1.006
assi ((resi 60 and name HB# and segid "b") )((resi 60 and name HD## and segid "b") ) 3.71685 2.23011 1.006
!assi ((resi 60 and name HD## and segid "a") )((resi 60 and name HD## and segid "a") ) 5.69796 3.41878 1.13959
!assi ((resi 60 and name HD## and segid "b") )((resi 60 and name HD## and segid "b") ) 5.69796 3.41878 1.13959
assi ((resi 35 and name HB# and segid "a") )((resi 35 and name HD## and segid "a") ) 4.35603 2.61362 1.006
assi ((resi 35 and name HB# and segid "b") )((resi 35 and name HD## and segid "b") ) 4.35603 2.61362 1.006
assi ((resi 35 and name HB# and segid "a") )((resi 35 and name HD## and segid "a") ) 4.79306 2.87584 1.006
assi ((resi 35 and name HB# and segid "b") )((resi 35 and name HD## and segid "b") ) 4.79306 2.87584 1.006
assi ((resi 35 and name HD## and segid "a") )((resi 35 and name HD## and segid "a") ) 3.82145 2.29287 1.006
assi ((resi 35 and name HD## and segid "b") )((resi 35 and name HD## and segid "b") ) 3.82145 2.29287 1.006
assi ((resi 11 and name HG1# and segid "a") )((resi 11 and name HG1# and segid "a") ) 1.83384 1.10031 1.006
assi ((resi 11 and name HG1# and segid "b") )((resi 11 and name HG1# and segid "b") ) 1.83384 1.10031 1.006
assi ((resi 79 and name HB# and segid "a") )((resi 79 and name HN and segid "a") ) 2.78265 1.66959 1.006
assi ((resi 79 and name HB# and segid "b") )((resi 79 and name HN and segid "b") ) 2.78265 1.66959 1.006
assi ((resi 80 and name HD1# and segid "a") )((resi 80 and name HN and segid "a") ) 6.36842 3.82105 1.27368
assi ((resi 80 and name HD1# and segid "b") )((resi 80 and name HN and segid "b") ) 6.36842 3.82105 1.27368
assi ((resi 79 and name HB# and segid "a") )((resi 79 and name HN and segid "a") ) 3.29007 1.97404 1.006
assi ((resi 79 and name HB# and segid "b") )((resi 79 and name HN and segid "b") ) 3.29007 1.97404 1.006
assi ((resi 9 and name HB# and segid "a") )((resi 9 and name HN and segid "a") ) 4.17766 2.50659 1.006
assi ((resi 9 and name HB# and segid "b") )((resi 9 and name HN and segid "b") ) 4.17766 2.50659 1.006
assi ((resi 16 and name HB# and segid "a") )((resi 15 and name HD2 and segid "a") ) 4.14072 2.48443 1.006
assi ((resi 16 and name HB# and segid "b") )((resi 15 and name HD2 and segid "b") ) 4.14072 2.48443 1.006
assi ((resi 16 and name HB# and segid "a") )((resi 15 and name HD2 and segid "a") ) 4.57803 2.74682 1.006
assi ((resi 16 and name HB# and segid "b") )((resi 15 and name HD2 and segid "b") ) 4.57803 2.74682 1.006
assi ((resi 80 and name HD1# and segid "a") )((resi 76 and name HD# and segid "a") ) 9.50005 5.70003 1.90001
assi ((resi 80 and name HD1# and segid "b") )((resi 76 and name HD# and segid "b") ) 9.50005 5.70003 1.90001
assi ((resi 36 and name HD1# and segid "a") )((resi 43 and name HD# and segid "a") ) 8.83036 5.29822 1.76607
assi ((resi 36 and name HD1# and segid "b") )((resi 43 and name HD# and segid "b") ) 8.83036 5.29822 1.76607
assi ((resi 35 and name HD## and segid "a") )((resi 17 and name HE# and segid "a") ) 7.75071 4.65043 1.55014
assi ((resi 35 and name HD## and segid "b") )((resi 17 and name HE# and segid "b") ) 7.75071 4.65043 1.55014
assi ((resi 35 and name HD## and segid "a") )((resi 17 and name HE# and segid "a") ) 9.58666 5.752 1.91733
assi ((resi 35 and name HD## and segid "b") )((resi 17 and name HE# and segid "b") ) 9.58666 5.752 1.91733
assi ((resi 35 and name HB# and segid "a") )((resi 17 and name HE# and segid "a") ) 5.77133 3.4628 1.15427
assi ((resi 35 and name HB# and segid "b") )((resi 17 and name HE# and segid "b") ) 5.77133 3.4628 1.15427
assi ((resi 14 and name HB2 and segid "a") )((resi 14 and name HD# and segid "a") ) 2.92926 1.75756 1.006
assi ((resi 14 and name HB2 and segid "b") )((resi 14 and name HD# and segid "b") ) 2.92926 1.75756 1.006
assi ((resi 11 and name HD1# and segid "a") )((resi 14 and name HD# and segid "a") ) 8.25895 4.95537 1.65179
assi ((resi 11 and name HD1# and segid "b") )((resi 14 and name HD# and segid "b") ) 8.25895 4.95537 1.65179
assi ((resi 69 and name HB2 and segid "a") )((resi 69 and name HA and segid "a") ) 2.93543 1.76126 1.006
assi ((resi 69 and name HB2 and segid "b") )((resi 69 and name HA and segid "b") ) 2.93543 1.76126 1.006
assi ((resi 69 and name HB1 and segid "a") )((resi 69 and name HA and segid "a") ) 3.07804 1.84682 1.006
assi ((resi 69 and name HB1 and segid "b") )((resi 69 and name HA and segid "b") ) 3.07804 1.84682 1.006
assi ((resi 26 and name HB# and segid "a") )((resi 26 and name HA and segid "a") ) 2.63105 1.57863 1.006
assi ((resi 26 and name HB# and segid "b") )((resi 26 and name HA and segid "b") ) 2.63105 1.57863 1.006
assi ((resi 26 and name HD# and segid "a") )((resi 26 and name HA and segid "a") ) 3.36517 2.0191 1.006
assi ((resi 26 and name HD# and segid "b") )((resi 26 and name HA and segid "b") ) 3.36517 2.0191 1.006
assi ((resi 26 and name HD# and segid "a") )((resi 26 and name HA and segid "a") ) 3.50686 2.10411 1.006
assi ((resi 26 and name HD# and segid "b") )((resi 26 and name HA and segid "b") ) 3.50686 2.10411 1.006
assi ((resi 25 and name HB# and segid "a") )((resi 25 and name HA and segid "a") ) 2.6618 1.59708 1.006
assi ((resi 25 and name HB# and segid "b") )((resi 25 and name HA and segid "b") ) 2.6618 1.59708 1.006
assi ((resi 25 and name HB# and segid "a") )((resi 25 and name HA and segid "a") ) 3.04592 1.82755 1.006
assi ((resi 25 and name HB# and segid "b") )((resi 25 and name HA and segid "b") ) 3.04592 1.82755 1.006
assi ((resi 65 and name HB# and segid "a") )((resi 65 and name HA and segid "a") ) 2.58336 1.55001 1.006
assi ((resi 65 and name HB# and segid "b") )((resi 65 and name HA and segid "b") ) 2.58336 1.55001 1.006
assi ((resi 28 and name HB# and segid "a") )((resi 28 and name HA and segid "a") ) 2.68131 1.60879 1.006
assi ((resi 28 and name HB# and segid "b") )((resi 28 and name HA and segid "b") ) 2.68131 1.60879 1.006
assi ((resi 28 and name HB# and segid "a") )((resi 28 and name HA and segid "a") ) 3.26796 1.96077 1.006
assi ((resi 28 and name HB# and segid "b") )((resi 28 and name HA and segid "b") ) 3.26796 1.96077 1.006
assi ((resi 39 and name HB# and segid "a") )((resi 39 and name HA and segid "a") ) 3.60297 2.16178 1.006
assi ((resi 39 and name HB# and segid "b") )((resi 39 and name HA and segid "b") ) 3.60297 2.16178 1.006
assi ((resi 28 and name HG# and segid "a") )((resi 28 and name HA and segid "a") ) 3.04809 1.82885 1.006
assi ((resi 28 and name HG# and segid "b") )((resi 28 and name HA and segid "b") ) 3.04809 1.82885 1.006
assi ((resi 27 and name HB# and segid "a") )((resi 27 and name HA and segid "a") ) 3.41529 2.04917 1.006
assi ((resi 27 and name HB# and segid "b") )((resi 27 and name HA and segid "b") ) 3.41529 2.04917 1.006
assi ((resi 27 and name HB# and segid "a") )((resi 27 and name HA and segid "a") ) 3.9086 2.34516 1.006
assi ((resi 27 and name HB# and segid "b") )((resi 27 and name HA and segid "b") ) 3.9086 2.34516 1.006
assi ((resi 27 and name HD## and segid "a") )((resi 27 and name HA and segid "a") ) 4.62734 2.77641 1.006
assi ((resi 27 and name HD## and segid "b") )((resi 27 and name HA and segid "b") ) 4.62734 2.77641 1.006
assi ((resi 38 and name HB# and segid "a") )((resi 38 and name HA and segid "a") ) 3.5978 2.15868 1.006
assi ((resi 38 and name HB# and segid "b") )((resi 38 and name HA and segid "b") ) 3.5978 2.15868 1.006
assi ((resi 38 and name HB# and segid "a") )((resi 38 and name HA and segid "a") ) 3.13772 1.88263 1.006
assi ((resi 38 and name HB# and segid "b") )((resi 38 and name HA and segid "b") ) 3.13772 1.88263 1.006
assi ((resi 59 and name HG2# and segid "a") )((resi 59 and name HB and segid "a") ) 4.6795 2.8077 1.006
assi ((resi 59 and name HG2# and segid "b") )((resi 59 and name HB and segid "b") ) 4.6795 2.8077 1.006
assi ((resi 83 and name HB# and segid "a") )((resi 83 and name HA and segid "a") ) 4.88113 2.92868 1.006
assi ((resi 83 and name HB# and segid "b") )((resi 83 and name HA and segid "b") ) 4.88113 2.92868 1.006
assi ((resi 61 and name HB# and segid "a") )((resi 61 and name HA and segid "a") ) 3.57384 2.1443 1.006
assi ((resi 61 and name HB# and segid "b") )((resi 61 and name HA and segid "b") ) 3.57384 2.1443 1.006
assi ((resi 48 and name HD# and segid "a") )((resi 48 and name HA and segid "a") ) 2.99394 1.79636 1.006
assi ((resi 48 and name HD# and segid "b") )((resi 48 and name HA and segid "b") ) 2.99394 1.79636 1.006
assi ((resi 48 and name HG# and segid "a") )((resi 48 and name HA and segid "a") ) 2.90236 1.74142 1.006
assi ((resi 48 and name HG# and segid "b") )((resi 48 and name HA and segid "b") ) 2.90236 1.74142 1.006
assi ((resi 73 and name HB# and segid "a") )((resi 73 and name HA and segid "a") ) 3.02635 1.81581 1.006
assi ((resi 73 and name HB# and segid "b") )((resi 73 and name HA and segid "b") ) 3.02635 1.81581 1.006
assi ((resi 31 and name HB2 and segid "a") )((resi 31 and name HA and segid "a") ) 2.45346 1.47208 1.006
assi ((resi 31 and name HB2 and segid "b") )((resi 31 and name HA and segid "b") ) 2.45346 1.47208 1.006
assi ((resi 76 and name HB# and segid "a") )((resi 76 and name HA and segid "a") ) 3.20154 1.92092 1.006
assi ((resi 76 and name HB# and segid "b") )((resi 76 and name HA and segid "b") ) 3.20154 1.92092 1.006
assi ((resi 76 and name HB# and segid "a") )((resi 76 and name HA and segid "a") ) 2.62246 1.57348 1.006
assi ((resi 76 and name HB# and segid "b") )((resi 76 and name HA and segid "b") ) 2.62246 1.57348 1.006
assi ((resi 79 and name HB# and segid "a") )((resi 76 and name HA and segid "a") ) 3.82263 2.29358 1.006
assi ((resi 79 and name HB# and segid "b") )((resi 76 and name HA and segid "b") ) 3.82263 2.29358 1.006
assi ((resi 81 and name HG2# and segid "a") )((resi 81 and name HB and segid "a") ) 3.25264 1.95158 1.006
assi ((resi 81 and name HG2# and segid "b") )((resi 81 and name HB and segid "b") ) 3.25264 1.95158 1.006
assi ((resi 6 and name HB# and segid "a") )((resi 6 and name HA and segid "a") ) 2.74627 1.64776 1.006
assi ((resi 6 and name HB# and segid "b") )((resi 6 and name HA and segid "b") ) 2.74627 1.64776 1.006
assi ((resi 9 and name HB# and segid "a") )((resi 9 and name HA and segid "a") ) 2.5942 1.55652 1.006
assi ((resi 9 and name HB# and segid "b") )((resi 9 and name HA and segid "b") ) 2.5942 1.55652 1.006
assi ((resi 37 and name HB# and segid "a") )((resi 37 and name HA and segid "a") ) 1.3311 0.798657 1.006
assi ((resi 37 and name HB# and segid "b") )((resi 37 and name HA and segid "b") ) 1.3311 0.798657 1.006
assi ((resi 37 and name HB# and segid "a") )((resi 37 and name HA and segid "a") ) 3.02897 1.81738 1.006
assi ((resi 37 and name HB# and segid "b") )((resi 37 and name HA and segid "b") ) 3.02897 1.81738 1.006
assi ((resi 89 and name HB# and segid "a") )((resi 89 and name HA and segid "a") ) 2.92169 1.75302 1.006
assi ((resi 89 and name HB# and segid "b") )((resi 89 and name HA and segid "b") ) 2.92169 1.75302 1.006
assi ((resi 55 and name HB# and segid "a") )((resi 55 and name HA and segid "a") ) 1.81239 1.08744 1.006
assi ((resi 55 and name HB# and segid "b") )((resi 55 and name HA and segid "b") ) 1.81239 1.08744 1.006
assi ((resi 55 and name HD# and segid "a") )((resi 55 and name HA and segid "a") ) 2.84705 1.70823 1.006
assi ((resi 55 and name HD# and segid "b") )((resi 55 and name HA and segid "b") ) 2.84705 1.70823 1.006
assi ((resi 55 and name HG# and segid "a") )((resi 55 and name HA and segid "a") ) 2.42726 1.45635 1.006
assi ((resi 55 and name HG# and segid "b") )((resi 55 and name HA and segid "b") ) 2.42726 1.45635 1.006
assi ((resi 10 and name HB1 and segid "a") )((resi 10 and name HA and segid "a") ) 1.86177 1.11706 1.006
assi ((resi 10 and name HB1 and segid "b") )((resi 10 and name HA and segid "b") ) 1.86177 1.11706 1.006
assi ((resi 51 and name HG# and segid "a") )((resi 51 and name HA and segid "a") ) 1.57886 0.947313 1.006
assi ((resi 51 and name HG# and segid "b") )((resi 51 and name HA and segid "b") ) 1.57886 0.947313 1.006
assi ((resi 60 and name HD## and segid "a") )((resi 57 and name HA and segid "a") ) 4.92195 2.95317 1.006
assi ((resi 60 and name HD## and segid "b") )((resi 57 and name HA and segid "b") ) 4.92195 2.95317 1.006
assi ((resi 10 and name HD## and segid "a") )((resi 10 and name HA and segid "a") ) 3.2669 1.96014 1.006
assi ((resi 10 and name HD## and segid "b") )((resi 10 and name HA and segid "b") ) 3.2669 1.96014 1.006
assi ((resi 57 and name HE# and segid "a") )((resi 57 and name HA and segid "a") ) 3.9288 2.35728 1.006
assi ((resi 57 and name HE# and segid "b") )((resi 57 and name HA and segid "b") ) 3.9288 2.35728 1.006
assi ((resi 3 and name HB# and segid "a") )((resi 3 and name HA and segid "a") ) 2.38784 1.4327 1.006
assi ((resi 3 and name HB# and segid "b") )((resi 3 and name HA and segid "b") ) 2.38784 1.4327 1.006
assi ((resi 88 and name HB# and segid "a") )((resi 88 and name HA and segid "a") ) 2.97632 1.78579 1.006
assi ((resi 88 and name HB# and segid "b") )((resi 88 and name HA and segid "b") ) 2.97632 1.78579 1.006
assi ((resi 3 and name HD## and segid "a") )((resi 3 and name HA and segid "a") ) 3.21917 1.9315 1.006
assi ((resi 3 and name HD## and segid "b") )((resi 3 and name HA and segid "b") ) 3.21917 1.9315 1.006
assi ((resi 44 and name HD## and segid "a") )((resi 44 and name HA and segid "a") ) 3.10506 1.86304 1.006
assi ((resi 44 and name HD## and segid "b") )((resi 44 and name HA and segid "b") ) 3.10506 1.86304 1.006
assi ((resi 6 and name HB# and segid "a") )((resi 3 and name HA and segid "a") ) 3.69044 2.21426 1.006
assi ((resi 6 and name HB# and segid "b") )((resi 3 and name HA and segid "b") ) 3.69044 2.21426 1.006
assi ((resi 35 and name HB# and segid "a") )((resi 32 and name HA and segid "a") ) 4.49527 2.69716 1.006
assi ((resi 35 and name HB# and segid "b") )((resi 32 and name HA and segid "b") ) 4.49527 2.69716 1.006
assi ((resi 88 and name HB# and segid "a") )((resi 88 and name HA and segid "a") ) 2.36041 1.41624 1.006
assi ((resi 88 and name HB# and segid "b") )((resi 88 and name HA and segid "b") ) 2.36041 1.41624 1.006
assi ((resi 37 and name HB# and segid "a") )((resi 34 and name HA and segid "a") ) 2.96563 1.77938 1.106
assi ((resi 37 and name HB# and segid "b") )((resi 34 and name HA and segid "b") ) 2.96563 1.77938 1.106
assi ((resi 37 and name HB# and segid "a") )((resi 34 and name HA and segid "a") ) 3.00427 1.80256 1.006
assi ((resi 37 and name HB# and segid "b") )((resi 34 and name HA and segid "b") ) 3.00427 1.80256 1.006
assi ((resi 72 and name HB1 and segid "a") )((resi 72 and name HA and segid "a") ) 2.61025 1.56615 1.006
assi ((resi 72 and name HB1 and segid "b") )((resi 72 and name HA and segid "b") ) 2.61025 1.56615 1.006
assi ((resi 32 and name HD## and segid "a") )((resi 32 and name HA and segid "a") ) 3.54016 2.1241 1.006
assi ((resi 32 and name HD## and segid "b") )((resi 32 and name HA and segid "b") ) 3.54016 2.1241 1.006
assi ((resi 75 and name HB# and segid "a") )((resi 75 and name HA and segid "a") ) 2.38119 1.42871 1.006
assi ((resi 75 and name HB# and segid "b") )((resi 75 and name HA and segid "b") ) 2.38119 1.42871 1.006
assi ((resi 32 and name HB# and segid "a") )((resi 32 and name HA and segid "a") ) 4.85823 2.91494 1.006
assi ((resi 32 and name HB# and segid "b") )((resi 32 and name HA and segid "b") ) 4.85823 2.91494 1.006
assi ((resi 47 and name HB and segid "a") )((resi 47 and name HA and segid "a") ) 2.99642 1.79785 1.006
assi ((resi 47 and name HB and segid "b") )((resi 47 and name HA and segid "b") ) 2.99642 1.79785 1.006
assi ((resi 20 and name HB# and segid "a") )((resi 20 and name HA and segid "a") ) 1.46066 0.876397 1.006
assi ((resi 20 and name HB# and segid "b") )((resi 20 and name HA and segid "b") ) 1.46066 0.876397 1.006
assi ((resi 59 and name HG2# and segid "a") )((resi 59 and name HA and segid "a") ) 3.42767 2.0566 1.006
assi ((resi 59 and name HG2# and segid "b") )((resi 59 and name HA and segid "b") ) 3.42767 2.0566 1.006
assi ((resi 82 and name HG2# and segid "a") )((resi 82 and name HB and segid "a") ) 3.25176 1.95106 1.006
assi ((resi 82 and name HG2# and segid "b") )((resi 82 and name HB and segid "b") ) 3.25176 1.95106 1.006
assi ((resi 78 and name HB# and segid "a") )((resi 78 and name HA and segid "a") ) 2.82852 1.69711 1.006
assi ((resi 78 and name HB# and segid "b") )((resi 78 and name HA and segid "b") ) 2.82852 1.69711 1.006
assi ((resi 47 and name HG2# and segid "a") )((resi 47 and name HA and segid "a") ) 3.91852 2.35111 1.006
assi ((resi 47 and name HG2# and segid "b") )((resi 47 and name HA and segid "b") ) 3.91852 2.35111 1.006
assi ((resi 60 and name HB# and segid "a") )((resi 60 and name HA and segid "a") ) 3.6273 2.17638 1.006
assi ((resi 60 and name HB# and segid "b") )((resi 60 and name HA and segid "b") ) 3.6273 2.17638 1.006
assi ((resi 79 and name HG# and segid "a") )((resi 79 and name HA and segid "a") ) 3.50964 2.10578 1.006
assi ((resi 79 and name HG# and segid "b") )((resi 79 and name HA and segid "b") ) 3.50964 2.10578 1.006
assi ((resi 79 and name HG# and segid "a") )((resi 79 and name HA and segid "a") ) 2.79806 1.67883 1.006
assi ((resi 79 and name HG# and segid "b") )((resi 79 and name HA and segid "b") ) 2.79806 1.67883 1.006
assi ((resi 60 and name HD## and segid "a") )((resi 60 and name HA and segid "a") ) 4.27034 2.56221 1.006
assi ((resi 60 and name HD## and segid "b") )((resi 60 and name HA and segid "b") ) 4.27034 2.56221 1.006
assi ((resi 60 and name HD## and segid "a") )((resi 60 and name HA and segid "a") ) 2.52882 1.51729 1.006
assi ((resi 60 and name HD## and segid "b") )((resi 60 and name HA and segid "b") ) 2.52882 1.51729 1.006
assi ((resi 79 and name HB# and segid "a") )((resi 79 and name HA and segid "a") ) 2.00977 1.20586 1.006
assi ((resi 79 and name HB# and segid "b") )((resi 79 and name HA and segid "b") ) 2.00977 1.20586 1.006
assi ((resi 8 and name HB and segid "a") )((resi 5 and name HA and segid "a") ) 1.77412 1.06447 1.006
assi ((resi 8 and name HB and segid "b") )((resi 5 and name HA and segid "b") ) 1.77412 1.06447 1.006
assi ((resi 16 and name HB# and segid "a") )((resi 16 and name HA and segid "a") ) 2.42243 1.45346 1.006
assi ((resi 16 and name HB# and segid "b") )((resi 16 and name HA and segid "b") ) 2.42243 1.45346 1.006
assi ((resi 16 and name HB# and segid "a") )((resi 16 and name HA and segid "a") ) 2.56764 1.54059 1.006
assi ((resi 16 and name HB# and segid "b") )((resi 16 and name HA and segid "b") ) 2.56764 1.54059 1.006
assi ((resi 52 and name HG## and segid "a") )((resi 52 and name HA and segid "a") ) 3.0904 1.85424 1.006
assi ((resi 52 and name HG## and segid "b") )((resi 52 and name HA and segid "b") ) 3.0904 1.85424 1.006
assi ((resi 13 and name HG2# and segid "a") )((resi 13 and name HA and segid "a") ) 3.03638 1.82183 1.006
assi ((resi 13 and name HG2# and segid "b") )((resi 13 and name HA and segid "b") ) 3.03638 1.82183 1.006
assi ((resi 19 and name HA1 and segid "a") )((resi 19 and name HA2 and segid "a") ) 1.72516 1.03509 1.006
assi ((resi 19 and name HA2 and segid "b") )((resi 19 and name HA1 and segid "b") ) 1.72516 1.03509 1.006
assi ((resi 50 and name HG# and segid "a") )((resi 50 and name HA and segid "a") ) 3.60184 2.16111 1.006
assi ((resi 50 and name HG# and segid "b") )((resi 50 and name HA and segid "b") ) 3.60184 2.16111 1.006
assi ((resi 50 and name HB# and segid "a") )((resi 50 and name HA and segid "a") ) 2.51309 1.50785 1.006
assi ((resi 50 and name HB# and segid "b") )((resi 50 and name HA and segid "b") ) 2.51309 1.50785 1.006
assi ((resi 7 and name HB and segid "a") )((resi 7 and name HA and segid "a") ) 3.21392 1.92835 1.006
assi ((resi 7 and name HB and segid "b") )((resi 7 and name HA and segid "b") ) 3.21392 1.92835 1.006
assi ((resi 52 and name HB and segid "a") )((resi 52 and name HA and segid "a") ) 2.08999 1.254 1.006
assi ((resi 52 and name HB and segid "b") )((resi 52 and name HA and segid "b") ) 2.08999 1.254 1.006
assi ((resi 25 and name HB1 and segid "a") )((resi 25 and name HB2 and segid "a") ) 1.77187 1.06312 1.006
assi ((resi 25 and name HB2 and segid "b") )((resi 25 and name HB1 and segid "b") ) 1.77187 1.06312 1.006
assi ((resi 7 and name HG1# and segid "a") )((resi 7 and name HA and segid "a") ) 3.2705 1.9623 1.006
assi ((resi 7 and name HG1# and segid "b") )((resi 7 and name HA and segid "b") ) 3.2705 1.9623 1.006
assi ((resi 55 and name HB# and segid "a") )((resi 52 and name HA and segid "a") ) 2.23422 1.34053 1.006
assi ((resi 55 and name HB# and segid "b") )((resi 52 and name HA and segid "b") ) 2.23422 1.34053 1.006
assi ((resi 56 and name HB and segid "a") )((resi 56 and name HA and segid "a") ) 2.81318 1.68791 1.006
assi ((resi 56 and name HB and segid "b") )((resi 56 and name HA and segid "b") ) 2.81318 1.68791 1.006
assi ((resi 56 and name HG## and segid "a") )((resi 56 and name HA and segid "a") ) 2.61132 1.56679 1.006
assi ((resi 56 and name HG## and segid "b") )((resi 56 and name HA and segid "b") ) 2.61132 1.56679 1.006
assi ((resi 52 and name HG## and segid "a") )((resi 52 and name HA and segid "a") ) 3.12181 1.87309 1.006
assi ((resi 52 and name HG## and segid "b") )((resi 52 and name HA and segid "b") ) 3.12181 1.87309 1.006
assi ((resi 81 and name HG2# and segid "a") )((resi 81 and name HA and segid "a") ) 2.94854 1.76912 1.006
assi ((resi 81 and name HG2# and segid "b") )((resi 81 and name HA and segid "b") ) 2.94854 1.76912 1.006
assi ((resi 52 and name HG## and segid "a") )((resi 52 and name HA and segid "a") ) 2.87426 1.72456 1.006
assi ((resi 52 and name HG## and segid "b") )((resi 52 and name HA and segid "b") ) 2.87426 1.72456 1.006
assi ((resi 69 and name HB1 and segid "a") )((resi 69 and name HB2 and segid "a") ) 1.96704 1.18023 1.006
assi ((resi 69 and name HB1 and segid "b") )((resi 69 and name HB2 and segid "b") ) 1.96704 1.18023 1.006
assi ((resi 80 and name HB and segid "a") )((resi 80 and name HA and segid "a") ) 3.12946 1.87768 1.006
assi ((resi 80 and name HB and segid "b") )((resi 80 and name HA and segid "b") ) 3.12946 1.87768 1.006
assi ((resi 83 and name HB# and segid "a") )((resi 80 and name HA and segid "a") ) 4.16501 2.49901 1.006
assi ((resi 83 and name HB# and segid "b") )((resi 80 and name HA and segid "b") ) 4.16501 2.49901 1.006
assi ((resi 80 and name HG2# and segid "a") )((resi 80 and name HA and segid "a") ) 3.59557 2.15734 1.006
assi ((resi 80 and name HG2# and segid "b") )((resi 80 and name HA and segid "b") ) 3.59557 2.15734 1.006
assi ((resi 80 and name HD1# and segid "a") )((resi 80 and name HA and segid "a") ) 3.85577 2.31346 1.006
assi ((resi 80 and name HD1# and segid "b") )((resi 80 and name HA and segid "b") ) 3.85577 2.31346 1.006
assi ((resi 8 and name HB and segid "a") )((resi 8 and name HA and segid "a") ) 2.21386 1.32831 1.006
assi ((resi 8 and name HB and segid "b") )((resi 8 and name HA and segid "b") ) 2.21386 1.32831 1.006
assi ((resi 81 and name HG2# and segid "a") )((resi 81 and name HA and segid "a") ) 2.7417 1.64502 1.006
assi ((resi 81 and name HG2# and segid "b") )((resi 81 and name HA and segid "b") ) 2.7417 1.64502 1.006
assi ((resi 33 and name HB# and segid "a") )((resi 33 and name HA and segid "a") ) 3.25912 1.95547 1.006
assi ((resi 33 and name HB# and segid "b") )((resi 33 and name HA and segid "b") ) 3.25912 1.95547 1.006
assi ((resi 35 and name HD## and segid "a") )((resi 35 and name HA and segid "a") ) 4.39591 2.63755 1.006
assi ((resi 35 and name HD## and segid "b") )((resi 35 and name HA and segid "b") ) 4.39591 2.63755 1.006
assi ((resi 35 and name HB# and segid "a") )((resi 35 and name HA and segid "a") ) 4.62128 2.77277 1.006
assi ((resi 35 and name HB# and segid "b") )((resi 35 and name HA and segid "b") ) 4.62128 2.77277 1.006
assi ((resi 35 and name HB# and segid "a") )((resi 35 and name HA and segid "a") ) 3.91338 2.34803 1.006
assi ((resi 35 and name HB# and segid "b") )((resi 35 and name HA and segid "b") ) 3.91338 2.34803 1.006
assi ((resi 11 and name HG1# and segid "a") )((resi 11 and name HA and segid "a") ) 3.29329 1.97597 1.006
assi ((resi 11 and name HG1# and segid "b") )((resi 11 and name HA and segid "b") ) 3.29329 1.97597 1.006
assi ((resi 71 and name HB# and segid "a") )((resi 71 and name HA and segid "a") ) 2.90985 1.74591 1.006
assi ((resi 71 and name HB# and segid "b") )((resi 71 and name HA and segid "b") ) 2.90985 1.74591 1.006
assi ((resi 71 and name HB# and segid "a") )((resi 71 and name HA and segid "a") ) 2.90985 1.74591 1.006
assi ((resi 71 and name HB# and segid "b") )((resi 71 and name HA and segid "b") ) 2.90985 1.74591 1.006
assi ((resi 35 and name HD## and segid "a") )((resi 35 and name HA and segid "a") ) 4.55909 2.73545 1.006
assi ((resi 35 and name HD## and segid "b") )((resi 35 and name HA and segid "b") ) 4.55909 2.73545 1.006
assi ((resi 11 and name HD1# and segid "a") )((resi 11 and name HA and segid "a") ) 4.68753 2.81252 1.006
assi ((resi 11 and name HD1# and segid "b") )((resi 11 and name HA and segid "b") ) 4.68753 2.81252 1.006
assi ((resi 43 and name HB1 and segid "a") )((resi 43 and name HB2 and segid "a") ) 1.25957 0.755743 1.006
assi ((resi 43 and name HB2 and segid "b") )((resi 43 and name HB1 and segid "b") ) 1.25957 0.755743 1.006
assi ((resi 53 and name HB and segid "a") )((resi 53 and name HA and segid "a") ) 2.95012 1.77007 1.006
assi ((resi 53 and name HB and segid "b") )((resi 53 and name HA and segid "b") ) 2.95012 1.77007 1.006
assi ((resi 53 and name HG## and segid "a") )((resi 53 and name HA and segid "a") ) 3.54108 2.12465 1.006
assi ((resi 53 and name HG## and segid "b") )((resi 53 and name HA and segid "b") ) 3.54108 2.12465 1.006
assi ((resi 53 and name HG## and segid "a") )((resi 53 and name HA and segid "a") ) 3.91134 2.34681 1.006
assi ((resi 53 and name HG## and segid "b") )((resi 53 and name HA and segid "b") ) 3.91134 2.34681 1.006
assi ((resi 53 and name HG## and segid "a") )((resi 53 and name HA and segid "a") ) 3.76702 2.26021 1.006
assi ((resi 53 and name HG## and segid "b") )((resi 53 and name HA and segid "b") ) 3.76702 2.26021 1.006
assi ((resi 82 and name HG2# and segid "a") )((resi 82 and name HA and segid "a") ) 3.6792 2.20752 1.006
assi ((resi 82 and name HG2# and segid "b") )((resi 82 and name HA and segid "b") ) 3.6792 2.20752 1.006
assi ((resi 88 and name HB# and segid "a") )((resi 88 and name HB# and segid "a") ) 1.21212 0.72727 1.006
assi ((resi 88 and name HB# and segid "b") )((resi 88 and name HB# and segid "b") ) 1.21212 0.72727 1.006
assi ((resi 25 and name HB1 and segid "a") )((resi 25 and name HB2 and segid "a") ) 1.65153 0.990921 1.006
assi ((resi 25 and name HB2 and segid "b") )((resi 25 and name HB1 and segid "b") ) 1.65153 0.990921 1.006
assi ((resi 77 and name HG## and segid "a") )((resi 77 and name HA and segid "a") ) 3.58839 2.15304 1.006
assi ((resi 77 and name HG## and segid "b") )((resi 77 and name HA and segid "b") ) 3.58839 2.15304 1.006
assi ((resi 36 and name HB and segid "a") )((resi 36 and name HA and segid "a") ) 2.74888 1.64933 1.006
assi ((resi 36 and name HB and segid "b") )((resi 36 and name HA and segid "b") ) 2.74888 1.64933 1.006
assi ((resi 36 and name HG2# and segid "a") )((resi 36 and name HA and segid "a") ) 5.51453 3.30872 1.10291
assi ((resi 36 and name HG2# and segid "b") )((resi 36 and name HA and segid "b") ) 5.51453 3.30872 1.10291
assi ((resi 77 and name HG## and segid "a") )((resi 77 and name HA and segid "a") ) 3.07856 1.84714 1.006
assi ((resi 77 and name HG## and segid "b") )((resi 77 and name HA and segid "b") ) 3.07856 1.84714 1.006
assi ((resi 36 and name HD1# and segid "a") )((resi 36 and name HA and segid "a") ) 3.77462 2.26477 1.006
assi ((resi 36 and name HD1# and segid "b") )((resi 36 and name HA and segid "b") ) 3.77462 2.26477 1.006
assi ((resi 74 and name HB# and segid "a") )((resi 74 and name HA and segid "a") ) 1.96697 1.18018 1.006
assi ((resi 74 and name HB# and segid "b") )((resi 74 and name HA and segid "b") ) 1.96697 1.18018 1.006
assi ((resi 20 and name HB# and segid "a") )((resi 20 and name HD# and segid "a") ) 2.96384 1.7783 1.006
assi ((resi 20 and name HB# and segid "b") )((resi 20 and name HD# and segid "b") ) 2.96384 1.7783 1.006
assi ((resi 74 and name HE# and segid "a") )((resi 74 and name HA and segid "a") ) 4.24962 2.54977 1.006
assi ((resi 74 and name HE# and segid "b") )((resi 74 and name HA and segid "b") ) 4.24962 2.54977 1.006
assi ((resi 38 and name HB2 and segid "a") )((resi 38 and name HB1 and segid "a") ) 1.21036 0.726215 1.006
assi ((resi 38 and name HB1 and segid "b") )((resi 38 and name HB2 and segid "b") ) 1.21036 0.726215 1.006
assi ((resi 68 and name HB1 and segid "a") )((resi 68 and name HB2 and segid "a") ) 1.60272 0.961632 1.006
assi ((resi 68 and name HB2 and segid "b") )((resi 68 and name HB1 and segid "b") ) 1.60272 0.961632 1.006
assi ((resi 88 and name HB1 and segid "a") )((resi 88 and name HB2 and segid "a") ) 1.72307 1.03384 1.006
assi ((resi 88 and name HB2 and segid "b") )((resi 88 and name HB1 and segid "b") ) 1.72307 1.03384 1.006
assi ((resi 5 and name HB# and segid "a") )((resi 5 and name HE# and segid "a") ) 4.06628 2.43977 1.006
assi ((resi 5 and name HB# and segid "b") )((resi 5 and name HE# and segid "b") ) 4.06628 2.43977 1.006
assi ((resi 57 and name HE# and segid "a") )((resi 57 and name HG# and segid "a") ) 2.99959 1.79976 1.006
assi ((resi 57 and name HE# and segid "b") )((resi 57 and name HG# and segid "b") ) 2.99959 1.79976 1.006
assi ((resi 57 and name HB# and segid "a") )((resi 57 and name HG# and segid "a") ) 2.33309 1.39985 1.006
assi ((resi 57 and name HB# and segid "b") )((resi 57 and name HG# and segid "b") ) 2.33309 1.39985 1.006
assi ((resi 38 and name HB1 and segid "a") )((resi 38 and name HB2 and segid "a") ) 1.30983 0.7859 1.006
assi ((resi 38 and name HB2 and segid "b") )((resi 38 and name HB1 and segid "b") ) 1.30983 0.7859 1.006
assi ((resi 69 and name HB2 and segid "a") )((resi 69 and name HB1 and segid "a") ) 1.8842 1.13052 1.006
assi ((resi 69 and name HB2 and segid "b") )((resi 69 and name HB1 and segid "b") ) 1.8842 1.13052 1.006
assi ((resi 48 and name HD# and segid "a") )((resi 48 and name HE# and segid "a") ) 1.69149 1.0149 1.006
assi ((resi 48 and name HD# and segid "b") )((resi 48 and name HE# and segid "b") ) 1.69149 1.0149 1.006
assi ((resi 68 and name HB1 and segid "a") )((resi 68 and name HB2 and segid "a") ) 1.56804 0.940823 1.006
assi ((resi 68 and name HB2 and segid "b") )((resi 68 and name HB1 and segid "b") ) 1.56804 0.940823 1.006
assi ((resi 10 and name HB2 and segid "a") )((resi 10 and name HB1 and segid "a") ) 2.48212 1.48927 1.006
assi ((resi 10 and name HB2 and segid "b") )((resi 10 and name HB1 and segid "b") ) 2.48212 1.48927 1.006
assi ((resi 79 and name HB# and segid "a") )((resi 79 and name HG# and segid "a") ) 5.13599 3.08159 1.0272
assi ((resi 79 and name HB# and segid "b") )((resi 79 and name HG# and segid "b") ) 5.13599 3.08159 1.0272
assi ((resi 10 and name HD## and segid "a") )((resi 10 and name HB1 and segid "a") ) 3.93773 2.36264 1.006
assi ((resi 10 and name HD## and segid "b") )((resi 10 and name HB1 and segid "b") ) 3.93773 2.36264 1.006
assi ((resi 79 and name HB# and segid "a") )((resi 79 and name HG# and segid "a") ) 1.37407 0.824445 1.006
assi ((resi 79 and name HB# and segid "b") )((resi 79 and name HG# and segid "b") ) 1.37407 0.824445 1.006
assi ((resi 79 and name HG1 and segid "a") )((resi 79 and name HG2 and segid "a") ) 1.56657 0.939942 1.006
assi ((resi 79 and name HG2 and segid "b") )((resi 79 and name HG1 and segid "b") ) 1.56657 0.939942 1.006
assi ((resi 28 and name HG# and segid "a") )((resi 28 and name HB# and segid "a") ) 2.978 1.7868 1.006
assi ((resi 28 and name HG# and segid "b") )((resi 28 and name HB# and segid "b") ) 2.978 1.7868 1.006
assi ((resi 31 and name HB2 and segid "a") )((resi 31 and name HB1 and segid "a") ) 2.57372 1.54423 1.006
assi ((resi 31 and name HB2 and segid "b") )((resi 31 and name HB1 and segid "b") ) 2.57372 1.54423 1.006
assi ((resi 7 and name HG1# and segid "a") )((resi 7 and name HB and segid "a") ) 3.34819 2.00892 1.006
assi ((resi 7 and name HG1# and segid "b") )((resi 7 and name HB and segid "b") ) 3.34819 2.00892 1.006
assi ((resi 56 and name HG## and segid "a") )((resi 56 and name HB and segid "a") ) 1.80046 1.08028 1.006
assi ((resi 56 and name HG## and segid "b") )((resi 56 and name HB and segid "b") ) 1.80046 1.08028 1.006
assi ((resi 13 and name HG2# and segid "a") )((resi 13 and name HB and segid "a") ) 2.0648 1.23888 1.006
assi ((resi 13 and name HG2# and segid "b") )((resi 13 and name HB and segid "b") ) 2.0648 1.23888 1.006
assi ((resi 16 and name HB# and segid "a") )((resi 16 and name HB# and segid "a") ) 1.52637 0.915825 1.006
assi ((resi 16 and name HB# and segid "b") )((resi 16 and name HB# and segid "b") ) 1.52637 0.915825 1.006
assi ((resi 32 and name HB1 and segid "a") )((resi 32 and name HB2 and segid "a") ) 2.2004 1.32024 1.006
assi ((resi 32 and name HB2 and segid "b") )((resi 32 and name HB1 and segid "b") ) 2.2004 1.32024 1.006
assi ((resi 32 and name HD## and segid "a") )((resi 32 and name HB# and segid "a") ) 4.87041 2.92224 1.006
assi ((resi 32 and name HD## and segid "b") )((resi 32 and name HB# and segid "b") ) 4.87041 2.92224 1.006
assi ((resi 53 and name HG## and segid "a") )((resi 53 and name HB and segid "a") ) 2.54879 1.52927 1.006
assi ((resi 53 and name HG## and segid "b") )((resi 53 and name HB and segid "b") ) 2.54879 1.52927 1.006
assi ((resi 10 and name HD## and segid "a") )((resi 10 and name HG and segid "a") ) 4.28828 2.57297 1.006
assi ((resi 10 and name HD## and segid "b") )((resi 10 and name HG and segid "b") ) 4.28828 2.57297 1.006
assi ((resi 52 and name HG## and segid "a") )((resi 52 and name HB and segid "a") ) 1.99849 1.1991 1.006
assi ((resi 52 and name HG## and segid "b") )((resi 52 and name HB and segid "b") ) 1.99849 1.1991 1.006
assi ((resi 52 and name HG## and segid "a") )((resi 52 and name HB and segid "a") ) 2.15546 1.29327 1.006
assi ((resi 52 and name HG## and segid "b") )((resi 52 and name HB and segid "b") ) 2.15546 1.29327 1.006
assi ((resi 10 and name HB2 and segid "a") )((resi 10 and name HG and segid "a") ) 3.05231 1.83139 1.006
assi ((resi 10 and name HB2 and segid "b") )((resi 10 and name HG and segid "b") ) 3.05231 1.83139 1.006
assi ((resi 40 and name HB1 and segid "a") )((resi 40 and name HB2 and segid "a") ) 2.1274 1.27644 1.006
assi ((resi 40 and name HB2 and segid "b") )((resi 40 and name HB1 and segid "b") ) 2.1274 1.27644 1.006
assi ((resi 31 and name HB2 and segid "a") )((resi 31 and name HG# and segid "a") ) 2.25298 1.35179 1.006
assi ((resi 31 and name HB2 and segid "b") )((resi 31 and name HG# and segid "b") ) 2.25298 1.35179 1.006
assi ((resi 40 and name HD## and segid "a") )((resi 40 and name HB# and segid "a") ) 3.59975 2.15985 1.006
assi ((resi 40 and name HD## and segid "b") )((resi 40 and name HB# and segid "b") ) 3.59975 2.15985 1.006
assi ((resi 40 and name HD## and segid "a") )((resi 40 and name HB# and segid "a") ) 4.72734 2.8364 1.006
assi ((resi 40 and name HD## and segid "b") )((resi 40 and name HB# and segid "b") ) 4.72734 2.8364 1.006
assi ((resi 80 and name HG2# and segid "a") )((resi 80 and name HB and segid "a") ) 3.14063 1.88438 1.006
assi ((resi 80 and name HG2# and segid "b") )((resi 80 and name HB and segid "b") ) 3.14063 1.88438 1.006
assi ((resi 55 and name HG# and segid "a") )((resi 55 and name HB# and segid "a") ) 1.77388 1.06433 1.006
assi ((resi 55 and name HG# and segid "b") )((resi 55 and name HB# and segid "b") ) 1.77388 1.06433 1.006
assi ((resi 33 and name HB1 and segid "a") )((resi 33 and name HB2 and segid "a") ) 2.221 1.3326 1.006
assi ((resi 33 and name HB2 and segid "b") )((resi 33 and name HB1 and segid "b") ) 2.221 1.3326 1.006
assi ((resi 79 and name HB1 and segid "a") )((resi 79 and name HB2 and segid "a") ) 2.64771 1.58863 1.006
assi ((resi 79 and name HB2 and segid "b") )((resi 79 and name HB1 and segid "b") ) 2.64771 1.58863 1.006
assi ((resi 79 and name HG# and segid "a") )((resi 79 and name HB# and segid "a") ) 2.5313 1.51878 1.006
assi ((resi 79 and name HG# and segid "b") )((resi 79 and name HB# and segid "b") ) 2.5313 1.51878 1.006
assi ((resi 79 and name HG# and segid "a") )((resi 79 and name HB# and segid "a") ) 1.8807 1.12842 1.006
assi ((resi 79 and name HG# and segid "b") )((resi 79 and name HB# and segid "b") ) 1.8807 1.12842 1.006
assi ((resi 3 and name HD## and segid "a") )((resi 3 and name HB# and segid "a") ) 3.08146 1.84887 1.006
assi ((resi 3 and name HD## and segid "b") )((resi 3 and name HB# and segid "b") ) 3.08146 1.84887 1.006
assi ((resi 40 and name HD## and segid "a") )((resi 40 and name HB# and segid "a") ) 2.65476 1.59286 1.006
assi ((resi 40 and name HD## and segid "b") )((resi 40 and name HB# and segid "b") ) 2.65476 1.59286 1.006
assi ((resi 40 and name HB1 and segid "a") )((resi 40 and name HB2 and segid "a") ) 2.45274 1.47165 1.006
assi ((resi 40 and name HB2 and segid "b") )((resi 40 and name HB1 and segid "b") ) 2.45274 1.47165 1.006
assi ((resi 47 and name HG2# and segid "a") )((resi 47 and name HB and segid "a") ) 1.5509 0.930543 1.006
assi ((resi 47 and name HG2# and segid "b") )((resi 47 and name HB and segid "b") ) 1.5509 0.930543 1.006
assi ((resi 11 and name HD1# and segid "a") )((resi 11 and name HG1# and segid "a") ) 3.72603 2.23562 1.006
assi ((resi 11 and name HD1# and segid "b") )((resi 11 and name HG1# and segid "b") ) 3.72603 2.23562 1.006
assi ((resi 11 and name HG2# and segid "a") )((resi 11 and name HG1# and segid "a") ) 3.47203 2.08322 1.006
assi ((resi 11 and name HG2# and segid "b") )((resi 11 and name HG1# and segid "b") ) 3.47203 2.08322 1.006
assi ((resi 10 and name HB1 and segid "a") )((resi 10 and name HB2 and segid "a") ) 1.95264 1.17158 1.006
assi ((resi 10 and name HB1 and segid "b") )((resi 10 and name HB2 and segid "b") ) 1.95264 1.17158 1.006
assi ((resi 10 and name HG and segid "a") )((resi 10 and name HB2 and segid "a") ) 3.01342 1.80805 1.006
assi ((resi 10 and name HG and segid "b") )((resi 10 and name HB2 and segid "b") ) 3.01342 1.80805 1.006
assi ((resi 44 and name HD## and segid "a") )((resi 44 and name HB2 and segid "a") ) 1.67038 1.00223 1.006
assi ((resi 44 and name HD## and segid "b") )((resi 44 and name HB2 and segid "b") ) 1.67038 1.00223 1.006
assi ((resi 44 and name HD## and segid "a") )((resi 44 and name HB2 and segid "a") ) 2.77583 1.6655 1.006
assi ((resi 44 and name HD## and segid "b") )((resi 44 and name HB2 and segid "b") ) 2.77583 1.6655 1.006
assi ((resi 60 and name HD## and segid "a") )((resi 60 and name HB# and segid "a") ) 2.06351 1.2381 1.006
assi ((resi 60 and name HD## and segid "b") )((resi 60 and name HB# and segid "b") ) 2.06351 1.2381 1.006
assi ((resi 77 and name HG## and segid "a") )((resi 77 and name HB and segid "a") ) 2.90171 1.74103 1.006
assi ((resi 77 and name HG## and segid "b") )((resi 77 and name HB and segid "b") ) 2.90171 1.74103 1.006
assi ((resi 77 and name HG## and segid "a") )((resi 77 and name HB and segid "a") ) 2.88126 1.72876 1.006
assi ((resi 77 and name HG## and segid "b") )((resi 77 and name HB and segid "b") ) 2.88126 1.72876 1.006
assi ((resi 36 and name HD1# and segid "a") )((resi 36 and name HB and segid "a") ) 2.67308 1.60385 1.006
assi ((resi 36 and name HD1# and segid "b") )((resi 36 and name HB and segid "b") ) 2.67308 1.60385 1.006
assi ((resi 5 and name HB# and segid "a") )((resi 5 and name HG# and segid "a") ) 1.96537 1.17922 1.006
assi ((resi 5 and name HB# and segid "b") )((resi 5 and name HG# and segid "b") ) 1.96537 1.17922 1.006
assi ((resi 35 and name HB# and segid "a") )((resi 35 and name HB# and segid "a") ) 2.81933 1.6916 1.006
assi ((resi 35 and name HB# and segid "b") )((resi 35 and name HB# and segid "b") ) 2.81933 1.6916 1.006
assi ((resi 20 and name HB# and segid "a") )((resi 20 and name HG# and segid "a") ) 1.74973 1.04984 1.006
assi ((resi 20 and name HB# and segid "b") )((resi 20 and name HG# and segid "b") ) 1.74973 1.04984 1.006
assi ((resi 35 and name HD## and segid "a") )((resi 35 and name HB# and segid "a") ) 3.87384 2.32431 1.006
assi ((resi 35 and name HD## and segid "b") )((resi 35 and name HB# and segid "b") ) 3.87384 2.32431 1.006
assi ((resi 3 and name HB# and segid "a") )((resi 3 and name HG and segid "a") ) 2.34859 1.40915 1.006
assi ((resi 3 and name HB# and segid "b") )((resi 3 and name HG and segid "b") ) 2.34859 1.40915 1.006
assi ((resi 80 and name HB and segid "a") )((resi 80 and name HG1# and segid "a") ) 2.1914 1.31484 1.006
assi ((resi 80 and name HB and segid "b") )((resi 80 and name HG1# and segid "b") ) 2.1914 1.31484 1.006
assi ((resi 3 and name HD## and segid "a") )((resi 3 and name HG and segid "a") ) 3.61937 2.17162 1.006
assi ((resi 3 and name HD## and segid "b") )((resi 3 and name HG and segid "b") ) 3.61937 2.17162 1.006
assi ((resi 80 and name HG2# and segid "a") )((resi 80 and name HG1# and segid "a") ) 2.77428 1.66457 1.006
assi ((resi 80 and name HG2# and segid "b") )((resi 80 and name HG1# and segid "b") ) 2.77428 1.66457 1.006
assi ((resi 26 and name HB# and segid "a") )((resi 26 and name HD# and segid "a") ) 2.345 1.407 1.106
assi ((resi 26 and name HB# and segid "b") )((resi 26 and name HD# and segid "b") ) 2.345 1.407 1.106
assi ((resi 33 and name HB1 and segid "a") )((resi 33 and name HB2 and segid "a") ) 0.723452 0.434071 1.37655
assi ((resi 33 and name HB2 and segid "b") )((resi 33 and name HB1 and segid "b") ) 0.723452 0.434071 1.37655
assi ((resi 32 and name HD## and segid "a") )((resi 32 and name HG and segid "a") ) 2.37118 1.42271 1.006
assi ((resi 32 and name HD## and segid "b") )((resi 32 and name HG and segid "b") ) 2.37118 1.42271 1.006
assi ((resi 32 and name HD## and segid "a") )((resi 32 and name HG and segid "a") ) 2.16497 1.29898 1.006
assi ((resi 32 and name HD## and segid "b") )((resi 32 and name HG and segid "b") ) 2.16497 1.29898 1.006
assi ((resi 40 and name HD## and segid "a") )((resi 40 and name HG and segid "a") ) 2.73401 1.64041 1.006
assi ((resi 40 and name HD## and segid "b") )((resi 40 and name HG and segid "b") ) 2.73401 1.64041 1.006
assi ((resi 27 and name HD## and segid "a") )((resi 27 and name HG and segid "a") ) 2.62017 1.5721 1.006
assi ((resi 27 and name HD## and segid "b") )((resi 27 and name HG and segid "b") ) 2.62017 1.5721 1.006
assi ((resi 32 and name HB2 and segid "a") )((resi 32 and name HB1 and segid "a") ) 1.74932 1.04959 1.006
assi ((resi 32 and name HB1 and segid "b") )((resi 32 and name HB2 and segid "b") ) 1.74932 1.04959 1.006
assi ((resi 60 and name HB2 and segid "a") )((resi 60 and name HB1 and segid "a") ) 1.58972 0.95383 1.006
assi ((resi 60 and name HB1 and segid "b") )((resi 60 and name HB2 and segid "b") ) 1.58972 0.95383 1.006
assi ((resi 26 and name HB# and segid "a") )((resi 26 and name HG# and segid "a") ) 3.38978 2.03387 1.006
assi ((resi 26 and name HB# and segid "b") )((resi 26 and name HG# and segid "b") ) 3.38978 2.03387 1.006
assi ((resi 60 and name HD## and segid "a") )((resi 60 and name HB# and segid "a") ) 2.76002 1.65601 1.006
assi ((resi 60 and name HD## and segid "b") )((resi 60 and name HB# and segid "b") ) 2.76002 1.65601 1.006
assi ((resi 60 and name HD## and segid "a") )((resi 60 and name HB# and segid "a") ) 2.99011 1.79407 1.006
assi ((resi 60 and name HD## and segid "b") )((resi 60 and name HB# and segid "b") ) 2.99011 1.79407 1.006
assi ((resi 8 and name HB and segid "a") )((resi 8 and name HG2# and segid "a") ) 1.77887 1.06732 1.006
assi ((resi 8 and name HB and segid "b") )((resi 8 and name HG2# and segid "b") ) 1.77887 1.06732 1.006
assi ((resi 7 and name HG1# and segid "a") )((resi 7 and name HG2# and segid "a") ) 5.30293 3.18176 1.06059
assi ((resi 7 and name HG1# and segid "b") )((resi 7 and name HG2# and segid "b") ) 5.30293 3.18176 1.06059
assi ((resi 47 and name HB and segid "a") )((resi 47 and name HG1# and segid "a") ) 3.09346 1.85607 1.006
assi ((resi 47 and name HB and segid "b") )((resi 47 and name HG1# and segid "b") ) 3.09346 1.85607 1.006
assi ((resi 32 and name HD## and segid "a") )((resi 32 and name HD## and segid "a") ) 4.15311 2.49187 1.006
assi ((resi 32 and name HD## and segid "b") )((resi 32 and name HD## and segid "b") ) 4.15311 2.49187 1.006
assi ((resi 47 and name HG2# and segid "a") )((resi 47 and name HG1# and segid "a") ) 4.75524 2.85314 1.006
assi ((resi 47 and name HG2# and segid "b") )((resi 47 and name HG1# and segid "b") ) 4.75524 2.85314 1.006
assi ((resi 52 and name HG## and segid "a") )((resi 52 and name HG## and segid "a") ) 4.21949 2.5317 1.006
assi ((resi 52 and name HG## and segid "b") )((resi 52 and name HG## and segid "b") ) 4.21949 2.5317 1.006
assi ((resi 10 and name HG and segid "a") )((resi 10 and name HD## and segid "a") ) 3.05997 1.83598 1.006
assi ((resi 10 and name HG and segid "b") )((resi 10 and name HD## and segid "b") ) 3.05997 1.83598 1.006
assi ((resi 47 and name HB and segid "a") )((resi 47 and name HG2# and segid "a") ) 2.84231 1.70539 1.006
assi ((resi 47 and name HB and segid "b") )((resi 47 and name HG2# and segid "b") ) 2.84231 1.70539 1.006
assi ((resi 80 and name HB and segid "a") )((resi 80 and name HG2# and segid "a") ) 3.31179 1.98707 1.006
assi ((resi 80 and name HB and segid "b") )((resi 80 and name HG2# and segid "b") ) 3.31179 1.98707 1.006
assi ((resi 47 and name HG1# and segid "a") )((resi 47 and name HD1# and segid "a") ) 2.77465 1.66479 1.006
assi ((resi 47 and name HG1# and segid "b") )((resi 47 and name HD1# and segid "b") ) 2.77465 1.66479 1.006
assi ((resi 56 and name HB and segid "a") )((resi 56 and name HG## and segid "a") ) 2.18653 1.31192 1.006
assi ((resi 56 and name HB and segid "b") )((resi 56 and name HG## and segid "b") ) 2.18653 1.31192 1.006
assi ((resi 40 and name HB# and segid "a") )((resi 40 and name HD## and segid "a") ) 2.9529 1.77174 1.006
assi ((resi 40 and name HB# and segid "b") )((resi 40 and name HD## and segid "b") ) 2.9529 1.77174 1.006
assi ((resi 35 and name HD## and segid "a") )((resi 35 and name HG and segid "a") ) 2.93347 1.76008 1.006
assi ((resi 35 and name HD## and segid "b") )((resi 35 and name HG and segid "b") ) 2.93347 1.76008 1.006
assi ((resi 32 and name HD## and segid "a") )((resi 32 and name HD## and segid "a") ) 3.42374 2.05424 1.006
assi ((resi 32 and name HD## and segid "b") )((resi 32 and name HD## and segid "b") ) 3.42374 2.05424 1.006
assi ((resi 52 and name HG## and segid "a") )((resi 52 and name HG## and segid "a") ) 3.41759 2.05055 1.006
assi ((resi 52 and name HG## and segid "b") )((resi 52 and name HG## and segid "b") ) 3.41759 2.05055 1.006
!assi ((resi 75 and name HA and segid "a") )((resi 76 and name HE# and segid "a") ) 5.06736 3.04042 1.01347
!assi ((resi 75 and name HA and segid "b") )((resi 76 and name HE# and segid "b") ) 5.06736 3.04042 1.01347
assi ((resi 11 and name HA and segid "a") )((resi 14 and name HD# and segid "a") ) 4.91197 2.94718 1.006
assi ((resi 11 and name HA and segid "b") )((resi 14 and name HD# and segid "b") ) 4.91197 2.94718 1.006
assi ((resi 82 and name HB and segid "a") )((resi 82 and name HA and segid "a") ) 2.54937 1.52962 1.006
assi ((resi 82 and name HB and segid "b") )((resi 82 and name HA and segid "b") ) 2.54937 1.52962 1.006
assi ((resi 82 and name HB and segid "a") )((resi 82 and name HG2# and segid "a") ) 3.23226 1.93936 1.006
assi ((resi 82 and name HB and segid "b") )((resi 82 and name HG2# and segid "b") ) 3.23226 1.93936 1.006
assi ((resi 82 and name HA and segid "a") )((resi 82 and name HG2# and segid "a") ) 3.90836 2.34502 1.006
assi ((resi 82 and name HA and segid "b") )((resi 82 and name HG2# and segid "b") ) 3.90836 2.34502 1.006
assi ((resi 81 and name HB and segid "a") )((resi 82 and name HG2# and segid "a") ) 5.2337 3.14022 1.04674
assi ((resi 81 and name HB and segid "b") )((resi 82 and name HG2# and segid "b") ) 5.2337 3.14022 1.04674
assi ((resi 33 and name HA and segid "a") )((resi 60 and name HD## and segid "a") ) 3.61806 2.17083 1.006
assi ((resi 33 and name HA and segid "b") )((resi 60 and name HD## and segid "b") ) 3.61806 2.17083 1.006
assi ((resi 14 and name HA and segid "a") )((resi 35 and name HD## and segid "a") ) 5.20108 3.12065 1.04022
assi ((resi 14 and name HA and segid "b") )((resi 35 and name HD## and segid "b") ) 5.20108 3.12065 1.04022
assi ((resi 73 and name HA and segid "a") )((resi 73 and name HD# and segid "a") ) 3.86706 2.32024 1.006
assi ((resi 73 and name HA and segid "b") )((resi 73 and name HD# and segid "b") ) 3.86706 2.32024 1.006
assi ((resi 14 and name HA and segid "a") )((resi 14 and name HD# and segid "a") ) 3.0022 1.80132 1.006
assi ((resi 14 and name HA and segid "b") )((resi 14 and name HD# and segid "b") ) 3.0022 1.80132 1.006
assi ((resi 1 and name HB# and segid "a") )((resi 1 and name HA and segid "a") ) 2.48898 1.49339 1.006
assi ((resi 1 and name HB# and segid "b") )((resi 1 and name HA and segid "b") ) 2.48898 1.49339 1.006
assi ((resi 59 and name HA and segid "a") )((resi 59 and name HB and segid "a") ) 4.82141 2.89285 1.006
assi ((resi 59 and name HA and segid "b") )((resi 59 and name HB and segid "b") ) 4.82141 2.89285 1.006
assi ((resi 56 and name HA and segid "a") )((resi 59 and name HB and segid "a") ) 4.45738 2.67443 1.006
assi ((resi 56 and name HA and segid "b") )((resi 59 and name HB and segid "b") ) 4.45738 2.67443 1.006
assi ((resi 62 and name HB# and segid "a") )((resi 62 and name HA and segid "a") ) 1.41815 0.850892 1.006
assi ((resi 62 and name HB# and segid "b") )((resi 62 and name HA and segid "b") ) 1.41815 0.850892 1.006
assi ((resi 78 and name HA and segid "a") )((resi 81 and name HB and segid "a") ) 2.01453 1.20872 1.006
assi ((resi 78 and name HA and segid "b") )((resi 81 and name HB and segid "b") ) 2.01453 1.20872 1.006
assi ((resi 1 and name HB1 and segid "a") )((resi 1 and name HB2 and segid "a") ) 3.35734 2.01441 1.006
assi ((resi 1 and name HB2 and segid "b") )((resi 1 and name HB1 and segid "b") ) 3.35734 2.01441 1.006
assi ((resi 81 and name HA and segid "a") )((resi 81 and name HB and segid "a") ) 3.5454 2.12724 1.006
assi ((resi 81 and name HA and segid "b") )((resi 81 and name HB and segid "b") ) 3.5454 2.12724 1.006
assi ((resi 66 and name HA1 and segid "a") )((resi 66 and name HA2 and segid "a") ) 1.28686 0.772113 1.006
assi ((resi 66 and name HA2 and segid "b") )((resi 66 and name HA1 and segid "b") ) 1.28686 0.772113 1.006
assi ((resi 62 and name HA and segid "a") )((resi 62 and name HB# and segid "a") ) 1.47859 0.887151 1.006
assi ((resi 62 and name HA and segid "b") )((resi 62 and name HB# and segid "b") ) 1.47859 0.887151 1.006
assi ((resi 19 and name HA1 and segid "a") )((resi 19 and name HA2 and segid "a") ) 1.06446 0.638678 1.03554
assi ((resi 19 and name HA2 and segid "b") )((resi 19 and name HA1 and segid "b") ) 1.06446 0.638678 1.03554
assi ((resi 82 and name HA and segid "a") )((resi 82 and name HB and segid "a") ) 2.62282 1.57369 1.006
assi ((resi 82 and name HA and segid "b") )((resi 82 and name HB and segid "b") ) 2.62282 1.57369 1.006
assi ((resi 59 and name HB and segid "a") )((resi 59 and name HA and segid "a") ) 2.94602 1.76761 1.006
assi ((resi 59 and name HB and segid "b") )((resi 59 and name HA and segid "b") ) 2.94602 1.76761 1.006
assi ((resi 66 and name HA1 and segid "a") )((resi 66 and name HA2 and segid "a") ) 2.04631 1.22779 1.006
assi ((resi 66 and name HA2 and segid "b") )((resi 66 and name HA1 and segid "b") ) 2.04631 1.22779 1.006
assi ((resi 19 and name HA1 and segid "a") )((resi 19 and name HA2 and segid "a") ) 2.29386 1.37632 1.006
assi ((resi 19 and name HA2 and segid "b") )((resi 19 and name HA1 and segid "b") ) 2.29386 1.37632 1.006
assi ((resi 25 and name HA and segid "a") )((resi 25 and name HB# and segid "a") ) 2.97354 1.78412 1.006
assi ((resi 25 and name HA and segid "b") )((resi 25 and name HB# and segid "b") ) 2.97354 1.78412 1.006
assi ((resi 59 and name HB and segid "a") )((resi 56 and name HA and segid "a") ) 3.82244 2.29346 1.006
assi ((resi 59 and name HB and segid "b") )((resi 56 and name HA and segid "b") ) 3.82244 2.29346 1.006
assi ((resi 42 and name HA and segid "a") )((resi 42 and name HB# and segid "a") ) 3.36213 2.01728 1.006
assi ((resi 42 and name HA and segid "b") )((resi 42 and name HB# and segid "b") ) 3.36213 2.01728 1.006
assi ((resi 69 and name HA and segid "a") )((resi 69 and name HB2 and segid "a") ) 2.35162 1.41097 1.006
assi ((resi 69 and name HA and segid "b") )((resi 69 and name HB2 and segid "b") ) 2.35162 1.41097 1.006
assi ((resi 42 and name HA and segid "a") )((resi 42 and name HB# and segid "a") ) 3.02076 1.81246 1.006
assi ((resi 42 and name HA and segid "b") )((resi 42 and name HB# and segid "b") ) 3.02076 1.81246 1.006
assi ((resi 25 and name HA and segid "a") )((resi 25 and name HB# and segid "a") ) 3.09003 1.85402 1.006
assi ((resi 25 and name HA and segid "b") )((resi 25 and name HB# and segid "b") ) 3.09003 1.85402 1.006
assi ((resi 73 and name HA and segid "a") )((resi 73 and name HB# and segid "a") ) 2.31996 1.39197 1.006
assi ((resi 73 and name HA and segid "b") )((resi 73 and name HB# and segid "b") ) 2.31996 1.39197 1.006
assi ((resi 20 and name HA and segid "a") )((resi 20 and name HD# and segid "a") ) 4.69004 2.81403 1.006
assi ((resi 20 and name HA and segid "b") )((resi 20 and name HD# and segid "b") ) 4.69004 2.81403 1.006
assi ((resi 14 and name HA and segid "a") )((resi 14 and name HB2 and segid "a") ) 1.72358 1.03415 1.306
assi ((resi 14 and name HA and segid "b") )((resi 14 and name HB2 and segid "b") ) 1.72358 1.03415 1.306
assi ((resi 76 and name HA and segid "a") )((resi 76 and name HB# and segid "a") ) 3.32035 1.99221 1.006
assi ((resi 76 and name HA and segid "b") )((resi 76 and name HB# and segid "b") ) 3.32035 1.99221 1.006
assi ((resi 68 and name HA and segid "a") )((resi 68 and name HB# and segid "a") ) 2.59618 1.55771 1.006
assi ((resi 68 and name HA and segid "b") )((resi 68 and name HB# and segid "b") ) 2.59618 1.55771 1.006
assi ((resi 55 and name HA and segid "a") )((resi 55 and name HE# and segid "a") ) 3.64983 2.1899 1.006
assi ((resi 55 and name HA and segid "b") )((resi 55 and name HE# and segid "b") ) 3.64983 2.1899 1.006
assi ((resi 9 and name HA and segid "a") )((resi 12 and name HB# and segid "a") ) 2.67958 1.60775 1.006
assi ((resi 9 and name HA and segid "b") )((resi 12 and name HB# and segid "b") ) 2.67958 1.60775 1.006
assi ((resi 12 and name HA and segid "a") )((resi 12 and name HB# and segid "a") ) 2.2828 1.36968 1.006
assi ((resi 12 and name HA and segid "b") )((resi 12 and name HB# and segid "b") ) 2.2828 1.36968 1.006
assi ((resi 57 and name HA and segid "a") )((resi 57 and name HG# and segid "a") ) 2.2588 1.35528 1.006
assi ((resi 57 and name HA and segid "b") )((resi 57 and name HG# and segid "b") ) 2.2588 1.35528 1.006
assi ((resi 81 and name HA and segid "a") )((resi 84 and name HB# and segid "a") ) 3.86858 2.32115 1.006
assi ((resi 81 and name HA and segid "b") )((resi 84 and name HB# and segid "b") ) 3.86858 2.32115 1.006
assi ((resi 73 and name HA and segid "a") )((resi 76 and name HB# and segid "a") ) 5.4804 3.28824 1.09608
assi ((resi 73 and name HA and segid "b") )((resi 76 and name HB# and segid "b") ) 5.4804 3.28824 1.09608
assi ((resi 76 and name HA and segid "a") )((resi 76 and name HB# and segid "a") ) 3.26396 1.95838 1.006
assi ((resi 76 and name HA and segid "b") )((resi 76 and name HB# and segid "b") ) 3.26396 1.95838 1.006
assi ((resi 65 and name HA and segid "a") )((resi 65 and name HB# and segid "a") ) 2.73775 1.64265 1.006
assi ((resi 65 and name HA and segid "b") )((resi 65 and name HB# and segid "b") ) 2.73775 1.64265 1.006
assi ((resi 38 and name HA and segid "a") )((resi 38 and name HB# and segid "a") ) 2.38735 1.43241 1.006
assi ((resi 38 and name HA and segid "b") )((resi 38 and name HB# and segid "b") ) 2.38735 1.43241 1.006
assi ((resi 35 and name HA and segid "a") )((resi 38 and name HB# and segid "a") ) 4.23207 2.53924 1.006
assi ((resi 35 and name HA and segid "b") )((resi 38 and name HB# and segid "b") ) 4.23207 2.53924 1.006
assi ((resi 29 and name HA and segid "a") )((resi 29 and name HE# and segid "a") ) 6.83915 4.10349 1.36783
assi ((resi 29 and name HA and segid "b") )((resi 29 and name HE# and segid "b") ) 6.83915 4.10349 1.36783
assi ((resi 69 and name HA and segid "a") )((resi 69 and name HB1 and segid "a") ) 2.51178 1.50707 1.006
assi ((resi 69 and name HA and segid "b") )((resi 69 and name HB1 and segid "b") ) 2.51178 1.50707 1.006
assi ((resi 68 and name HA and segid "a") )((resi 68 and name HB# and segid "a") ) 2.84738 1.70843 1.006
assi ((resi 68 and name HA and segid "b") )((resi 68 and name HB# and segid "b") ) 2.84738 1.70843 1.006
assi ((resi 23 and name HA and segid "a") )((resi 23 and name HB# and segid "a") ) 3.24488 1.94693 1.006
assi ((resi 23 and name HA and segid "b") )((resi 23 and name HB# and segid "b") ) 3.24488 1.94693 1.006
assi ((resi 54 and name HA and segid "a") )((resi 54 and name HB# and segid "a") ) 1.20428 0.722571 1.306
assi ((resi 54 and name HA and segid "b") )((resi 54 and name HB# and segid "b") ) 1.20428 0.722571 1.306
assi ((resi 65 and name HA and segid "a") )((resi 65 and name HB# and segid "a") ) 2.90771 1.74463 1.006
assi ((resi 65 and name HA and segid "b") )((resi 65 and name HB# and segid "b") ) 2.90771 1.74463 1.006
assi ((resi 61 and name HA and segid "a") )((resi 61 and name HB# and segid "a") ) 2.2482 1.34892 1.006
assi ((resi 61 and name HA and segid "b") )((resi 61 and name HB# and segid "b") ) 2.2482 1.34892 1.006
assi ((resi 37 and name HA and segid "a") )((resi 37 and name HB# and segid "a") ) 2.50555 1.50333 1.006
assi ((resi 37 and name HA and segid "b") )((resi 37 and name HB# and segid "b") ) 2.50555 1.50333 1.006
assi ((resi 62 and name HA and segid "a") )((resi 65 and name HB# and segid "a") ) 5.1401 3.08406 1.02802
assi ((resi 62 and name HA and segid "b") )((resi 65 and name HB# and segid "b") ) 5.1401 3.08406 1.02802
assi ((resi 7 and name HA and segid "a") )((resi 10 and name HB1 and segid "a") ) 3.5308 2.11848 1.006
assi ((resi 7 and name HA and segid "b") )((resi 10 and name HB1 and segid "b") ) 3.5308 2.11848 1.006
assi ((resi 63 and name HA and segid "a") )((resi 63 and name HB# and segid "a") ) 1.85557 1.11334 1.006
assi ((resi 63 and name HA and segid "b") )((resi 63 and name HB# and segid "b") ) 1.85557 1.11334 1.006
assi ((resi 31 and name HA and segid "a") )((resi 31 and name HB2 and segid "a") ) 2.2692 1.36152 1.006
assi ((resi 31 and name HA and segid "b") )((resi 31 and name HB2 and segid "b") ) 2.2692 1.36152 1.006
assi ((resi 4 and name HA and segid "a") )((resi 4 and name HG# and segid "a") ) 5.49071 3.29443 1.09814
assi ((resi 4 and name HA and segid "b") )((resi 4 and name HG# and segid "b") ) 5.49071 3.29443 1.09814
assi ((resi 62 and name HB# and segid "a") )((resi 65 and name HB# and segid "a") ) 4.28249 2.5695 1.006
assi ((resi 62 and name HB# and segid "b") )((resi 65 and name HB# and segid "b") ) 4.28249 2.5695 1.006
assi ((resi 50 and name HA and segid "a") )((resi 50 and name HG# and segid "a") ) 3.1438 1.88628 1.006
assi ((resi 50 and name HA and segid "b") )((resi 50 and name HG# and segid "b") ) 3.1438 1.88628 1.006
assi ((resi 16 and name HA and segid "a") )((resi 16 and name HB# and segid "a") ) 2.24811 1.34886 1.006
assi ((resi 16 and name HA and segid "b") )((resi 16 and name HB# and segid "b") ) 2.24811 1.34886 1.006
assi ((resi 39 and name HA and segid "a") )((resi 39 and name HB# and segid "a") ) 1.90111 1.14067 1.006
assi ((resi 39 and name HA and segid "b") )((resi 39 and name HB# and segid "b") ) 1.90111 1.14067 1.006
assi ((resi 31 and name HA and segid "a") )((resi 31 and name HB1 and segid "a") ) 2.03135 1.21881 1.006
assi ((resi 31 and name HA and segid "b") )((resi 31 and name HB1 and segid "b") ) 2.03135 1.21881 1.006
assi ((resi 29 and name HA and segid "a") )((resi 29 and name HB# and segid "a") ) 3.89853 2.33912 1.006
assi ((resi 29 and name HA and segid "b") )((resi 29 and name HB# and segid "b") ) 3.89853 2.33912 1.006
assi ((resi 1 and name HB# and segid "a") )((resi 4 and name HB2 and segid "a") ) 4.98604 2.99163 1.006
assi ((resi 1 and name HB# and segid "b") )((resi 4 and name HB2 and segid "b") ) 4.98604 2.99163 1.006
assi ((resi 53 and name HA and segid "a") )((resi 56 and name HB and segid "a") ) 3.21345 1.92807 1.006
assi ((resi 53 and name HA and segid "b") )((resi 56 and name HB and segid "b") ) 3.21345 1.92807 1.006
assi ((resi 56 and name HA and segid "a") )((resi 56 and name HB and segid "a") ) 2.24329 1.34597 1.006
assi ((resi 56 and name HA and segid "b") )((resi 56 and name HB and segid "b") ) 2.24329 1.34597 1.006
assi ((resi 57 and name HA and segid "a") )((resi 57 and name HB# and segid "a") ) 2.56492 1.53895 1.006
assi ((resi 57 and name HA and segid "b") )((resi 57 and name HB# and segid "b") ) 2.56492 1.53895 1.006
assi ((resi 8 and name HA and segid "a") )((resi 8 and name HB and segid "a") ) 3.02739 1.81643 1.006
assi ((resi 8 and name HA and segid "b") )((resi 8 and name HB and segid "b") ) 3.02739 1.81643 1.006
assi ((resi 49 and name HA and segid "a") )((resi 49 and name HB# and segid "a") ) 2.2863 1.37178 1.006
assi ((resi 49 and name HA and segid "b") )((resi 49 and name HB# and segid "b") ) 2.2863 1.37178 1.006
assi ((resi 76 and name HA and segid "a") )((resi 79 and name HB# and segid "a") ) 3.94315 2.36589 1.006
assi ((resi 76 and name HA and segid "b") )((resi 79 and name HB# and segid "b") ) 3.94315 2.36589 1.006
assi ((resi 21 and name HA and segid "a") )((resi 21 and name HB# and segid "a") ) 2.53033 1.5182 1.006
assi ((resi 21 and name HA and segid "b") )((resi 21 and name HB# and segid "b") ) 2.53033 1.5182 1.006
assi ((resi 32 and name HA and segid "a") )((resi 32 and name HB# and segid "a") ) 3.77727 2.26636 1.006
assi ((resi 32 and name HA and segid "b") )((resi 32 and name HB# and segid "b") ) 3.77727 2.26636 1.006
!assi ((resi 70 and name HA and segid "a") )((resi 71 and name HB# and segid "a") ) 4.51223 2.70734 1.006
!assi ((resi 70 and name HA and segid "b") )((resi 71 and name HB# and segid "b") ) 4.51223 2.70734 1.006
!The above changed to 70 HA from 68 HA
assi ((resi 58 and name HA and segid "a") )((resi 58 and name HB# and segid "a") ) 0.406384 0.24383 1.99362
assi ((resi 58 and name HA and segid "b") )((resi 58 and name HB# and segid "b") ) 0.406384 0.24383 1.99362
assi ((resi 29 and name HA and segid "a") )((resi 32 and name HB# and segid "a") ) 2.49985 1.49991 1.006
assi ((resi 29 and name HA and segid "b") )((resi 32 and name HB# and segid "b") ) 2.49985 1.49991 1.006
assi ((resi 53 and name HA and segid "a") )((resi 53 and name HB and segid "a") ) 2.18403 1.31042 1.006
assi ((resi 53 and name HA and segid "b") )((resi 53 and name HB and segid "b") ) 2.18403 1.31042 1.006
assi ((resi 71 and name HA and segid "a") )((resi 71 and name HB# and segid "a") ) 2.20394 1.32236 1.006
assi ((resi 71 and name HA and segid "b") )((resi 71 and name HB# and segid "b") ) 2.20394 1.32236 1.006
assi ((resi 7 and name HA and segid "a") )((resi 10 and name HG and segid "a") ) 4.03505 2.42103 1.006
assi ((resi 7 and name HA and segid "b") )((resi 10 and name HG and segid "b") ) 4.03505 2.42103 1.006
assi ((resi 40 and name HA and segid "a") )((resi 40 and name HB# and segid "a") ) 3.82161 2.29297 1.006
assi ((resi 40 and name HA and segid "b") )((resi 40 and name HB# and segid "b") ) 3.82161 2.29297 1.006
assi ((resi 31 and name HA and segid "a") )((resi 31 and name HG# and segid "a") ) 2.04465 1.22679 1.006
assi ((resi 31 and name HA and segid "b") )((resi 31 and name HG# and segid "b") ) 2.04465 1.22679 1.006
assi ((resi 80 and name HA and segid "a") )((resi 80 and name HB and segid "a") ) 3.51618 2.10971 1.006
assi ((resi 80 and name HA and segid "b") )((resi 80 and name HB and segid "b") ) 3.51618 2.10971 1.006
assi ((resi 77 and name HA and segid "a") )((resi 80 and name HB and segid "a") ) 3.72336 2.23402 1.006
assi ((resi 77 and name HA and segid "b") )((resi 80 and name HB and segid "b") ) 3.72336 2.23402 1.006
assi ((resi 33 and name HA and segid "a") )((resi 33 and name HB# and segid "a") ) 2.0967 1.25802 1.006
assi ((resi 33 and name HA and segid "b") )((resi 33 and name HB# and segid "b") ) 2.0967 1.25802 1.006
assi ((resi 21 and name HA and segid "a") )((resi 21 and name HB# and segid "a") ) 2.90219 1.74131 1.006
assi ((resi 21 and name HA and segid "b") )((resi 21 and name HB# and segid "b") ) 2.90219 1.74131 1.006
assi ((resi 67 and name HA and segid "a") )((resi 67 and name HB2 and segid "a") ) 1.58101 0.948604 1.006
assi ((resi 67 and name HA and segid "b") )((resi 67 and name HB2 and segid "b") ) 1.58101 0.948604 1.006
assi ((resi 30 and name HA and segid "a") )((resi 33 and name HB# and segid "a") ) 4.3478 2.60868 1.006
assi ((resi 30 and name HA and segid "b") )((resi 33 and name HB# and segid "b") ) 4.3478 2.60868 1.006
assi ((resi 40 and name HA and segid "a") )((resi 40 and name HB# and segid "a") ) 3.03626 1.82176 1.006
assi ((resi 40 and name HA and segid "b") )((resi 40 and name HB# and segid "b") ) 3.03626 1.82176 1.006
assi ((resi 20 and name HA and segid "a") )((resi 20 and name HB# and segid "a") ) 1.32676 0.796054 1.006
assi ((resi 20 and name HA and segid "b") )((resi 20 and name HB# and segid "b") ) 1.32676 0.796054 1.006
assi ((resi 76 and name HA and segid "a") )((resi 79 and name HB# and segid "a") ) 3.79458 2.27675 1.006
assi ((resi 76 and name HA and segid "b") )((resi 79 and name HB# and segid "b") ) 3.79458 2.27675 1.006
assi ((resi 29 and name HA and segid "a") )((resi 29 and name HD# and segid "a") ) 4.23999 2.54399 1.006
assi ((resi 29 and name HA and segid "b") )((resi 29 and name HD# and segid "b") ) 4.23999 2.54399 1.006
assi ((resi 11 and name HA and segid "a") )((resi 11 and name HG1# and segid "a") ) 2.86518 1.71911 1.306
assi ((resi 11 and name HA and segid "b") )((resi 11 and name HG1# and segid "b") ) 2.86518 1.71911 1.306
assi ((resi 8 and name HA and segid "a") )((resi 11 and name HG1# and segid "a") ) 2.83461 1.70077 1.006
assi ((resi 8 and name HA and segid "b") )((resi 11 and name HG1# and segid "b") ) 2.83461 1.70077 1.006
assi ((resi 48 and name HA and segid "a") )((resi 48 and name HB# and segid "a") ) 3.07566 1.8454 1.006
assi ((resi 48 and name HA and segid "b") )((resi 48 and name HB# and segid "b") ) 3.07566 1.8454 1.006
assi ((resi 44 and name HA and segid "a") )((resi 44 and name HB2 and segid "a") ) 1.55446 0.932674 1.006
assi ((resi 44 and name HA and segid "b") )((resi 44 and name HB2 and segid "b") ) 1.55446 0.932674 1.006
assi ((resi 41 and name HA and segid "a") )((resi 44 and name HB2 and segid "a") ) 1.56757 0.940545 1.006
assi ((resi 41 and name HA and segid "b") )((resi 44 and name HB2 and segid "b") ) 1.56757 0.940545 1.006
assi ((resi 7 and name HA and segid "a") )((resi 10 and name HB2 and segid "a") ) 2.4647 1.47882 1.006
assi ((resi 7 and name HA and segid "b") )((resi 10 and name HB2 and segid "b") ) 2.4647 1.47882 1.006
assi ((resi 36 and name HA and segid "a") )((resi 36 and name HB and segid "a") ) 2.62326 1.57395 1.006
assi ((resi 36 and name HA and segid "b") )((resi 36 and name HB and segid "b") ) 2.62326 1.57395 1.006
assi ((resi 28 and name HA and segid "a") )((resi 28 and name HB# and segid "a") ) 1.58225 0.94935 1.206
assi ((resi 28 and name HA and segid "b") )((resi 28 and name HB# and segid "b") ) 1.58225 0.94935 1.206
assi ((resi 32 and name HA and segid "a") )((resi 35 and name HB# and segid "a") ) 1.75804 1.05483 1.006
assi ((resi 32 and name HA and segid "b") )((resi 35 and name HB# and segid "b") ) 1.75804 1.05483 1.006
assi ((resi 5 and name HA and segid "a") )((resi 5 and name HG# and segid "a") ) 2.21049 1.32629 1.006
assi ((resi 5 and name HA and segid "b") )((resi 5 and name HG# and segid "b") ) 2.21049 1.32629 1.006
assi ((resi 33 and name HA and segid "a") )((resi 33 and name HD1 and segid "a") ) 1.93588 1.16153 1.006
assi ((resi 33 and name HA and segid "b") )((resi 33 and name HD1 and segid "b") ) 1.93588 1.16153 1.006
assi ((resi 83 and name HA and segid "a") )((resi 83 and name HB# and segid "a") ) 3.78685 2.27211 1.006
assi ((resi 83 and name HA and segid "b") )((resi 83 and name HB# and segid "b") ) 3.78685 2.27211 1.006
assi ((resi 80 and name HA and segid "a") )((resi 80 and name HG1# and segid "a") ) 2.41788 1.45073 1.006
assi ((resi 80 and name HA and segid "b") )((resi 80 and name HG1# and segid "b") ) 2.41788 1.45073 1.006
assi ((resi 77 and name HA and segid "a") )((resi 80 and name HG1# and segid "a") ) 3.67031 2.20219 1.006
assi ((resi 77 and name HA and segid "b") )((resi 80 and name HG1# and segid "b") ) 3.67031 2.20219 1.006
assi ((resi 26 and name HA and segid "a") )((resi 26 and name HD# and segid "a") ) 3.09896 1.85937 1.006
assi ((resi 26 and name HA and segid "b") )((resi 26 and name HD# and segid "b") ) 3.09896 1.85937 1.006
assi ((resi 55 and name HA and segid "a") )((resi 55 and name HG# and segid "a") ) 2.5752 1.54512 1.006
assi ((resi 55 and name HA and segid "b") )((resi 55 and name HG# and segid "b") ) 2.5752 1.54512 1.006
assi ((resi 40 and name HA and segid "a") )((resi 40 and name HG and segid "a") ) 2.91593 1.74956 1.006
assi ((resi 40 and name HA and segid "b") )((resi 40 and name HG and segid "b") ) 2.91593 1.74956 1.006
assi ((resi 36 and name HA and segid "a") )((resi 36 and name HG1# and segid "a") ) 3.98238 2.38943 1.006
assi ((resi 36 and name HA and segid "b") )((resi 36 and name HG1# and segid "b") ) 3.98238 2.38943 1.006
assi ((resi 27 and name HA and segid "a") )((resi 27 and name HG and segid "a") ) 2.41832 1.45099 1.006
assi ((resi 27 and name HA and segid "b") )((resi 27 and name HG and segid "b") ) 2.41832 1.45099 1.006
assi ((resi 78 and name HA and segid "a") )((resi 78 and name HB# and segid "a") ) 2.89456 1.73674 1.006
assi ((resi 78 and name HA and segid "b") )((resi 78 and name HB# and segid "b") ) 2.89456 1.73674 1.006
assi ((resi 48 and name HA and segid "a") )((resi 48 and name HD# and segid "a") ) 2.12226 1.27335 1.006
assi ((resi 48 and name HA and segid "b") )((resi 48 and name HD# and segid "b") ) 2.12226 1.27335 1.006
assi ((resi 29 and name HA and segid "a") )((resi 29 and name HG# and segid "a") ) 2.30749 1.38449 1.006
assi ((resi 29 and name HA and segid "b") )((resi 29 and name HG# and segid "b") ) 2.30749 1.38449 1.006
assi ((resi 59 and name HA and segid "a") )((resi 59 and name HG2# and segid "a") ) 3.39378 2.03627 1.006
assi ((resi 59 and name HA and segid "b") )((resi 59 and name HG2# and segid "b") ) 3.39378 2.03627 1.006
assi ((resi 59 and name HB and segid "a") )((resi 59 and name HG2# and segid "a") ) 3.72611 2.23567 1.006
assi ((resi 59 and name HB and segid "b") )((resi 59 and name HG2# and segid "b") ) 3.72611 2.23567 1.006
assi ((resi 26 and name HA and segid "a") )((resi 26 and name HG# and segid "a") ) 4.17153 2.50292 1.006
assi ((resi 26 and name HA and segid "b") )((resi 26 and name HG# and segid "b") ) 4.17153 2.50292 1.006
assi ((resi 75 and name HA and segid "a") )((resi 75 and name HB# and segid "a") ) 2.93488 1.76093 1.006
assi ((resi 75 and name HA and segid "b") )((resi 75 and name HB# and segid "b") ) 2.93488 1.76093 1.006
assi ((resi 72 and name HA and segid "a") )((resi 75 and name HB# and segid "a") ) 3.75666 2.25399 1.006
assi ((resi 72 and name HA and segid "b") )((resi 75 and name HB# and segid "b") ) 3.75666 2.25399 1.006
assi ((resi 72 and name HA and segid "a") )((resi 75 and name HB# and segid "a") ) 3.38055 2.02833 1.006
assi ((resi 72 and name HA and segid "b") )((resi 75 and name HB# and segid "b") ) 3.38055 2.02833 1.006
assi ((resi 24 and name HA and segid "a") )((resi 24 and name HD# and segid "a") ) 5.35904 3.21542 1.07181
assi ((resi 24 and name HA and segid "b") )((resi 24 and name HD# and segid "b") ) 5.35904 3.21542 1.07181
assi ((resi 53 and name HA and segid "a") )((resi 56 and name HG## and segid "a") ) 5.32096 3.19258 1.06419
assi ((resi 53 and name HA and segid "b") )((resi 56 and name HG## and segid "b") ) 5.32096 3.19258 1.06419
assi ((resi 56 and name HA and segid "a") )((resi 56 and name HG## and segid "a") ) 2.70462 1.62277 1.006
assi ((resi 56 and name HA and segid "b") )((resi 56 and name HG## and segid "b") ) 2.70462 1.62277 1.006
assi ((resi 32 and name HA and segid "a") )((resi 32 and name HD## and segid "a") ) 2.52588 1.51553 1.006
assi ((resi 32 and name HA and segid "b") )((resi 32 and name HD## and segid "b") ) 2.52588 1.51553 1.006
assi ((resi 29 and name HA and segid "a") )((resi 29 and name HG# and segid "a") ) 2.28866 1.3732 1.006
assi ((resi 29 and name HA and segid "b") )((resi 29 and name HG# and segid "b") ) 2.28866 1.3732 1.006
assi ((resi 47 and name HA and segid "a") )((resi 47 and name HG1# and segid "a") ) 3.88947 2.33368 1.006
assi ((resi 47 and name HA and segid "b") )((resi 47 and name HG1# and segid "b") ) 3.88947 2.33368 1.006
assi ((resi 3 and name HA and segid "a") )((resi 3 and name HD## and segid "a") ) 2.89356 1.73614 1.206
assi ((resi 3 and name HA and segid "b") )((resi 3 and name HD## and segid "b") ) 2.89356 1.73614 1.206
assi ((resi 52 and name HA and segid "a") )((resi 52 and name HG## and segid "a") ) 3.65707 2.19424 1.006
assi ((resi 52 and name HA and segid "b") )((resi 52 and name HG## and segid "b") ) 3.65707 2.19424 1.006
assi ((resi 7 and name HA and segid "a") )((resi 7 and name HG1# and segid "a") ) 2.36389 1.41833 1.206
assi ((resi 7 and name HA and segid "b") )((resi 7 and name HG1# and segid "b") ) 2.36389 1.41833 1.206
assi ((resi 8 and name HA and segid "a") )((resi 8 and name HG1# and segid "a") ) 3.93736 2.36242 1.006
assi ((resi 8 and name HA and segid "b") )((resi 8 and name HG1# and segid "b") ) 3.93736 2.36242 1.006
assi ((resi 78 and name HA and segid "a") )((resi 81 and name HG2# and segid "a") ) 6.31094 3.78656 1.26219
assi ((resi 78 and name HA and segid "b") )((resi 81 and name HG2# and segid "b") ) 6.31094 3.78656 1.26219
assi ((resi 24 and name HA and segid "a") )((resi 24 and name HG# and segid "a") ) 4.49498 2.69699 1.006
assi ((resi 24 and name HA and segid "b") )((resi 24 and name HG# and segid "b") ) 4.49498 2.69699 1.006
assi ((resi 81 and name HA and segid "a") )((resi 81 and name HG2# and segid "a") ) 3.7376 2.24256 1.006
assi ((resi 81 and name HA and segid "b") )((resi 81 and name HG2# and segid "b") ) 3.7376 2.24256 1.006
assi ((resi 80 and name HA and segid "a") )((resi 80 and name HG2# and segid "a") ) 2.7506 1.65036 1.006
assi ((resi 80 and name HA and segid "b") )((resi 80 and name HG2# and segid "b") ) 2.7506 1.65036 1.006
assi ((resi 40 and name HA and segid "a") )((resi 40 and name HD## and segid "a") ) 4.26721 2.56032 1.006
assi ((resi 40 and name HA and segid "b") )((resi 40 and name HD## and segid "b") ) 4.26721 2.56032 1.006
assi ((resi 52 and name HA and segid "a") )((resi 52 and name HG## and segid "a") ) 3.50085 2.10051 1.006
assi ((resi 52 and name HA and segid "b") )((resi 52 and name HG## and segid "b") ) 3.50085 2.10051 1.006
assi ((resi 36 and name HA and segid "a") )((resi 36 and name HG2# and segid "a") ) 2.29852 1.37911 1.006
assi ((resi 36 and name HA and segid "b") )((resi 36 and name HG2# and segid "b") ) 2.29852 1.37911 1.006
assi ((resi 47 and name HA and segid "a") )((resi 47 and name HG2# and segid "a") ) 3.75957 2.25574 1.006
assi ((resi 47 and name HA and segid "b") )((resi 47 and name HG2# and segid "b") ) 3.75957 2.25574 1.006
assi ((resi 40 and name HA and segid "a") )((resi 40 and name HD## and segid "a") ) 3.70631 2.22378 1.006
assi ((resi 40 and name HA and segid "b") )((resi 40 and name HD## and segid "b") ) 3.70631 2.22378 1.006
assi ((resi 77 and name HA and segid "a") )((resi 77 and name HG## and segid "a") ) 3.65634 2.19381 1.006
assi ((resi 77 and name HA and segid "b") )((resi 77 and name HG## and segid "b") ) 3.65634 2.19381 1.006
assi ((resi 36 and name HA and segid "a") )((resi 36 and name HD1# and segid "a") ) 3.16148 1.89689 1.006
assi ((resi 36 and name HA and segid "b") )((resi 36 and name HD1# and segid "b") ) 3.16148 1.89689 1.006
assi ((resi 57 and name HA and segid "a") )((resi 60 and name HD## and segid "a") ) 4.75804 2.85482 1.006
assi ((resi 57 and name HA and segid "b") )((resi 60 and name HD## and segid "b") ) 4.75804 2.85482 1.006
assi ((resi 11 and name HA and segid "a") )((resi 11 and name HG2# and segid "a") ) 3.03213 1.81928 1.006
assi ((resi 11 and name HA and segid "b") )((resi 11 and name HG2# and segid "b") ) 3.03213 1.81928 1.006
assi ((resi 77 and name HA and segid "a") )((resi 77 and name HG## and segid "a") ) 3.55892 2.13535 1.006
assi ((resi 77 and name HA and segid "b") )((resi 77 and name HG## and segid "b") ) 3.55892 2.13535 1.006
assi ((resi 60 and name HA and segid "a") )((resi 60 and name HD## and segid "a") ) 3.54724 2.12834 1.006
assi ((resi 60 and name HA and segid "b") )((resi 60 and name HD## and segid "b") ) 3.54724 2.12834 1.006
assi ((resi 2 and name HN and segid "a") )((resi 1 and name HN and segid "a") ) 6.02769 3.61662 1.20554
assi ((resi 2 and name HN and segid "b") )((resi 1 and name HN and segid "b") ) 6.02769 3.61662 1.20554
assi ((resi 4 and name HN and segid "a") )((resi 1 and name HN and segid "a") ) 5.06955 3.04173 1.01391
assi ((resi 4 and name HN and segid "b") )((resi 1 and name HN and segid "b") ) 5.06955 3.04173 1.01391
assi ((resi 5 and name HN and segid "a") )((resi 1 and name HN and segid "a") ) 5.30895 3.18537 1.06179
assi ((resi 5 and name HN and segid "b") )((resi 1 and name HN and segid "b") ) 5.30895 3.18537 1.06179
assi ((resi 43 and name HN and segid "a") )((resi 42 and name HN and segid "a") ) 3.47718 2.08631 0.695436
assi ((resi 43 and name HN and segid "b") )((resi 42 and name HN and segid "b") ) 3.47718 2.08631 0.695436
assi ((resi 44 and name HN and segid "a") )((resi 42 and name HN and segid "a") ) 5.11473 3.06884 1.02295
assi ((resi 44 and name HN and segid "b") )((resi 42 and name HN and segid "b") ) 5.11473 3.06884 1.02295
assi ((resi 41 and name HN and segid "a") )((resi 42 and name HN and segid "a") ) 4.27132 2.56279 0.854265
assi ((resi 41 and name HN and segid "b") )((resi 42 and name HN and segid "b") ) 4.27132 2.56279 0.854265
assi ((resi 16 and name HN and segid "a") )((resi 18 and name HN and segid "a") ) 4.51806 2.71084 0.903613
assi ((resi 16 and name HN and segid "b") )((resi 18 and name HN and segid "b") ) 4.51806 2.71084 0.903613
assi ((resi 17 and name HN and segid "a") )((resi 18 and name HN and segid "a") ) 3.18622 1.91173 0.65
assi ((resi 17 and name HN and segid "b") )((resi 18 and name HN and segid "b") ) 3.18622 1.91173 0.65
assi ((resi 19 and name HN and segid "a") )((resi 18 and name HN and segid "a") ) 3.79794 2.27876 0.759587
assi ((resi 19 and name HN and segid "b") )((resi 18 and name HN and segid "b") ) 3.79794 2.27876 0.759587
assi ((resi 27 and name HN and segid "a") )((resi 68 and name HN and segid "a") ) 3.4754 2.08524 0.695079
assi ((resi 27 and name HN and segid "b") )((resi 68 and name HN and segid "b") ) 3.4754 2.08524 0.695079
assi ((resi 67 and name HN and segid "a") )((resi 68 and name HN and segid "a") ) 4.19279 2.51567 0.838558
assi ((resi 67 and name HN and segid "b") )((resi 68 and name HN and segid "b") ) 4.19279 2.51567 0.838558
assi ((resi 69 and name HN and segid "a") )((resi 68 and name HN and segid "a") ) 4.12551 2.4753 0.825102
assi ((resi 69 and name HN and segid "b") )((resi 68 and name HN and segid "b") ) 4.12551 2.4753 0.825102
assi ((resi 29 and name HN and segid "a") )((resi 30 and name HN and segid "a") ) 3.98908 2.39345 0.797817
assi ((resi 29 and name HN and segid "b") )((resi 30 and name HN and segid "b") ) 3.98908 2.39345 0.797817
assi ((resi 33 and name HN and segid "a") )((resi 34 and name HN and segid "a") ) 3.14971 1.88983 0.65
assi ((resi 33 and name HN and segid "b") )((resi 34 and name HN and segid "b") ) 3.14971 1.88983 0.65
assi ((resi 50 and name HE21 and segid "a") )((resi 50 and name HE22 and segid "a") ) 1.97462 1.18477 0.65
assi ((resi 50 and name HE22 and segid "b") )((resi 50 and name HE21 and segid "b") ) 1.97462 1.18477 0.65
assi ((resi 37 and name HN and segid "a") )((resi 37 and name HD2# and segid "a") ) 4.06085 2.43651 0.81217
assi ((resi 37 and name HN and segid "b") )((resi 37 and name HD2# and segid "b") ) 4.06085 2.43651 0.81217
assi ((resi 37 and name HD21 and segid "a") )((resi 37 and name HD22 and segid "a") ) 2.31649 1.38989 0.65
assi ((resi 37 and name HD22 and segid "b") )((resi 37 and name HD21 and segid "b") ) 2.31649 1.38989 0.65
assi ((resi 70 and name HN and segid "a") )((resi 14 and name HD# and segid "a") ) 4.2011 2.52066 0.84022
assi ((resi 70 and name HN and segid "b") )((resi 14 and name HD# and segid "b") ) 4.2011 2.52066 0.84022
!assi ((resi 71 and name HN and segid "a") )((resi 14 and name HD# and segid "a") ) 4.39043 2.63426 1.178087
!assi ((resi 71 and name HN and segid "b") )((resi 14 and name HD# and segid "b") ) 4.39043 2.63426 1.178087
assi ((resi 73 and name HN and segid "a") )((resi 14 and name HD# and segid "a") ) 4.41128 2.64677 1.682256
assi ((resi 73 and name HN and segid "b") )((resi 14 and name HD# and segid "b") ) 4.41128 2.64677 1.682256
assi ((resi 14 and name HN and segid "a") )((resi 14 and name HD# and segid "a") ) 4.03311 2.41986 0.806621
assi ((resi 14 and name HN and segid "b") )((resi 14 and name HD# and segid "b") ) 4.03311 2.41986 0.806621
assi ((resi 88 and name HN and segid "a") )((resi 88 and name HD# and segid "a") ) 4.32755 2.59653 0.865511
assi ((resi 88 and name HN and segid "b") )((resi 88 and name HD# and segid "b") ) 4.32755 2.59653 0.865511
assi ((resi 69 and name HN and segid "a") )((resi 68 and name HA and segid "a") ) 2.51416 1.50849 0.65
assi ((resi 69 and name HN and segid "b") )((resi 68 and name HA and segid "b") ) 2.51416 1.50849 0.65
assi ((resi 43 and name HN and segid "a") )((resi 40 and name HA and segid "a") ) 4.55895 2.73537 0.911789
assi ((resi 43 and name HN and segid "b") )((resi 40 and name HA and segid "b") ) 4.55895 2.73537 0.911789
assi ((resi 42 and name HN and segid "a") )((resi 40 and name HA and segid "a") ) 4.24811 2.54887 0.849623
assi ((resi 42 and name HN and segid "b") )((resi 40 and name HA and segid "b") ) 4.24811 2.54887 0.849623
assi ((resi 40 and name HN and segid "a") )((resi 40 and name HA and segid "a") ) 3.44838 2.06903 0.689676
assi ((resi 40 and name HN and segid "b") )((resi 40 and name HA and segid "b") ) 3.44838 2.06903 0.689676
assi ((resi 41 and name HN and segid "a") )((resi 40 and name HA and segid "a") ) 2.77704 1.66623 0.65
assi ((resi 41 and name HN and segid "b") )((resi 40 and name HA and segid "b") ) 2.77704 1.66623 0.65
assi ((resi 29 and name HN and segid "a") )((resi 29 and name HA and segid "a") ) 2.87837 1.72702 0.65
assi ((resi 29 and name HN and segid "b") )((resi 29 and name HA and segid "b") ) 2.87837 1.72702 0.65
assi ((resi 82 and name HN and segid "a") )((resi 82 and name HG2# and segid "a") ) 4.21477 2.52886 0.842953
assi ((resi 82 and name HN and segid "b") )((resi 82 and name HG2# and segid "b") ) 4.21477 2.52886 0.842953
assi ((resi 11 and name HN and segid "a") )((resi 11 and name HG1# and segid "a") ) 2.86276 1.71765 0.65
assi ((resi 11 and name HN and segid "b") )((resi 11 and name HG1# and segid "b") ) 2.86276 1.71765 0.65
assi ((resi 10 and name HN and segid "a") )((resi 11 and name HG1# and segid "a") ) 4.51657 2.70994 0.903313
assi ((resi 10 and name HN and segid "b") )((resi 11 and name HG1# and segid "b") ) 4.51657 2.70994 0.903313
assi ((resi 31 and name HN and segid "a") )((resi 30 and name HN and segid "a") ) 3.31642 1.98985 0.663285
assi ((resi 31 and name HN and segid "b") )((resi 30 and name HN and segid "b") ) 3.31642 1.98985 0.663285
assi ((resi 71 and name HN and segid "a") )((resi 70 and name HN and segid "a") ) 3.48332 2.08999 0.696665
assi ((resi 71 and name HN and segid "b") )((resi 70 and name HN and segid "b") ) 3.48332 2.08999 0.696665
assi ((resi 26 and name HN and segid "a") )((resi 25 and name HN and segid "a") ) 3.26173 1.95704 0.652346
assi ((resi 26 and name HN and segid "b") )((resi 25 and name HN and segid "b") ) 3.26173 1.95704 0.652346
assi ((resi 50 and name HN and segid "a") )((resi 51 and name HN and segid "a") ) 3.37005 2.02203 0.674011
assi ((resi 50 and name HN and segid "b") )((resi 51 and name HN and segid "b") ) 3.37005 2.02203 0.674011
assi ((resi 53 and name HN and segid "a") )((resi 51 and name HN and segid "a") ) 4.79081 2.87448 0.958161
assi ((resi 53 and name HN and segid "b") )((resi 51 and name HN and segid "b") ) 4.79081 2.87448 0.958161
assi ((resi 52 and name HN and segid "a") )((resi 51 and name HN and segid "a") ) 3.34102 2.00461 0.668204
assi ((resi 52 and name HN and segid "b") )((resi 51 and name HN and segid "b") ) 3.34102 2.00461 0.668204
assi ((resi 40 and name HN and segid "a") )((resi 39 and name HN and segid "a") ) 3.0246 1.81476 0.65
assi ((resi 40 and name HN and segid "b") )((resi 39 and name HN and segid "b") ) 3.0246 1.81476 0.65
assi ((resi 38 and name HN and segid "a") )((resi 39 and name HN and segid "a") ) 3.08069 1.84841 0.65
assi ((resi 38 and name HN and segid "b") )((resi 39 and name HN and segid "b") ) 3.08069 1.84841 0.65
assi ((resi 30 and name HN and segid "a") )((resi 29 and name HN and segid "a") ) 3.75114 2.25068 0.750228
assi ((resi 30 and name HN and segid "b") )((resi 29 and name HN and segid "b") ) 3.75114 2.25068 0.750228
assi ((resi 41 and name HN and segid "a") )((resi 39 and name HN and segid "a") ) 4.5243 2.71458 0.90486
assi ((resi 41 and name HN and segid "b") )((resi 39 and name HN and segid "b") ) 4.5243 2.71458 0.90486
assi ((resi 4 and name HN and segid "a") )((resi 3 and name HN and segid "a") ) 3.40711 2.04427 0.681422
assi ((resi 4 and name HN and segid "b") )((resi 3 and name HN and segid "b") ) 3.40711 2.04427 0.681422
assi ((resi 28 and name HN and segid "a") )((resi 27 and name HN and segid "a") ) 4.02742 2.41645 0.805485
assi ((resi 28 and name HN and segid "b") )((resi 27 and name HN and segid "b") ) 4.02742 2.41645 0.805485
assi ((resi 26 and name HN and segid "a") )((resi 27 and name HN and segid "a") ) 4.12466 2.4748 0.824932
assi ((resi 26 and name HN and segid "b") )((resi 27 and name HN and segid "b") ) 4.12466 2.4748 0.824932
assi ((resi 77 and name HN and segid "a") )((resi 78 and name HN and segid "a") ) 2.45012 1.47007 0.65
assi ((resi 77 and name HN and segid "b") )((resi 78 and name HN and segid "b") ) 2.45012 1.47007 0.65
assi ((resi 79 and name HN and segid "a") )((resi 78 and name HN and segid "a") ) 2.39381 1.43628 0.65
assi ((resi 79 and name HN and segid "b") )((resi 78 and name HN and segid "b") ) 2.39381 1.43628 0.65
assi ((resi 9 and name HN and segid "a") )((resi 8 and name HN and segid "a") ) 2.85309 1.71185 0.65
assi ((resi 9 and name HN and segid "b") )((resi 8 and name HN and segid "b") ) 2.85309 1.71185 0.65
assi ((resi 35 and name HN and segid "a") )((resi 36 and name HN and segid "a") ) 3.11107 1.86664 0.65
assi ((resi 35 and name HN and segid "b") )((resi 36 and name HN and segid "b") ) 3.11107 1.86664 0.65
assi ((resi 10 and name HN and segid "a") )((resi 11 and name HN and segid "a") ) 2.39067 1.4344 0.65
assi ((resi 10 and name HN and segid "b") )((resi 11 and name HN and segid "b") ) 2.39067 1.4344 0.65
assi ((resi 34 and name HN and segid "a") )((resi 36 and name HN and segid "a") ) 3.79839 2.27903 0.759678
assi ((resi 34 and name HN and segid "b") )((resi 36 and name HN and segid "b") ) 3.79839 2.27903 0.759678
assi ((resi 37 and name HN and segid "a") )((resi 36 and name HN and segid "a") ) 3.14389 1.88634 0.65
assi ((resi 37 and name HN and segid "b") )((resi 36 and name HN and segid "b") ) 3.14389 1.88634 0.65
assi ((resi 75 and name HN and segid "a") )((resi 73 and name HN and segid "a") ) 4.02834 2.41701 0.805669
assi ((resi 75 and name HN and segid "b") )((resi 73 and name HN and segid "b") ) 4.02834 2.41701 0.805669
assi ((resi 55 and name HN and segid "a") )((resi 54 and name HN and segid "a") ) 3.17724 1.90634 0.65
assi ((resi 55 and name HN and segid "b") )((resi 54 and name HN and segid "b") ) 3.17724 1.90634 0.65
assi ((resi 53 and name HN and segid "a") )((resi 54 and name HN and segid "a") ) 3.0473 1.82838 0.65
assi ((resi 53 and name HN and segid "b") )((resi 54 and name HN and segid "b") ) 3.0473 1.82838 0.65
assi ((resi 52 and name HN and segid "a") )((resi 54 and name HN and segid "a") ) 3.78568 2.27141 0.757137
assi ((resi 52 and name HN and segid "b") )((resi 54 and name HN and segid "b") ) 3.78568 2.27141 0.757137
assi ((resi 6 and name HN and segid "a") )((resi 7 and name HN and segid "a") ) 2.627 1.5762 0.65
assi ((resi 6 and name HN and segid "b") )((resi 7 and name HN and segid "b") ) 2.627 1.5762 0.65
assi ((resi 74 and name HN and segid "a") )((resi 73 and name HN and segid "a") ) 2.80782 1.68469 0.65
assi ((resi 74 and name HN and segid "b") )((resi 73 and name HN and segid "b") ) 2.80782 1.68469 0.65
assi ((resi 51 and name HN and segid "a") )((resi 50 and name HN and segid "a") ) 3.16341 1.89804 0.65
assi ((resi 51 and name HN and segid "b") )((resi 50 and name HN and segid "b") ) 3.16341 1.89804 0.65
assi ((resi 49 and name HN and segid "a") )((resi 50 and name HN and segid "a") ) 3.0008 1.80048 0.65
assi ((resi 49 and name HN and segid "b") )((resi 50 and name HN and segid "b") ) 3.0008 1.80048 0.65
assi ((resi 66 and name HN and segid "a") )((resi 67 and name HN and segid "a") ) 4.53996 2.72398 0.907992
assi ((resi 66 and name HN and segid "b") )((resi 67 and name HN and segid "b") ) 4.53996 2.72398 0.907992
assi ((resi 56 and name HN and segid "a") )((resi 57 and name HN and segid "a") ) 2.67236 1.60341 0.65
assi ((resi 56 and name HN and segid "b") )((resi 57 and name HN and segid "b") ) 2.67236 1.60341 0.65
assi ((resi 40 and name HN and segid "a") )((resi 38 and name HN and segid "a") ) 3.41945 2.05167 0.683889
assi ((resi 40 and name HN and segid "b") )((resi 38 and name HN and segid "b") ) 3.41945 2.05167 0.683889
assi ((resi 71 and name HN and segid "a") )((resi 72 and name HN and segid "a") ) 2.4729 1.48374 0.65
assi ((resi 71 and name HN and segid "b") )((resi 72 and name HN and segid "b") ) 2.4729 1.48374 0.65
assi ((resi 23 and name HN and segid "a") )((resi 22 and name HN and segid "a") ) 3.4012 2.04072 0.68024
assi ((resi 23 and name HN and segid "b") )((resi 22 and name HN and segid "b") ) 3.4012 2.04072 0.68024
assi ((resi 31 and name HN and segid "a") )((resi 32 and name HN and segid "a") ) 2.86088 1.71653 0.65
assi ((resi 31 and name HN and segid "b") )((resi 32 and name HN and segid "b") ) 2.86088 1.71653 0.65
assi ((resi 11 and name HN and segid "a") )((resi 12 and name HN and segid "a") ) 3.19417 1.9165 0.65
assi ((resi 11 and name HN and segid "b") )((resi 12 and name HN and segid "b") ) 3.19417 1.9165 0.65
assi ((resi 33 and name HN and segid "a") )((resi 32 and name HN and segid "a") ) 3.2005 1.9203 0.65
assi ((resi 33 and name HN and segid "b") )((resi 32 and name HN and segid "b") ) 3.2005 1.9203 0.65
assi ((resi 40 and name HN and segid "a") )((resi 38 and name HN and segid "a") ) 3.54085 2.12451 0.708171
assi ((resi 40 and name HN and segid "b") )((resi 38 and name HN and segid "b") ) 3.54085 2.12451 0.708171
assi ((resi 34 and name HN and segid "a") )((resi 32 and name HN and segid "a") ) 4.35595 2.61357 0.871189
assi ((resi 34 and name HN and segid "b") )((resi 32 and name HN and segid "b") ) 4.35595 2.61357 0.871189
assi ((resi 37 and name HN and segid "a") )((resi 38 and name HN and segid "a") ) 3.22618 1.93571 0.65
assi ((resi 37 and name HN and segid "b") )((resi 38 and name HN and segid "b") ) 3.22618 1.93571 0.65
assi ((resi 39 and name HN and segid "a") )((resi 38 and name HN and segid "a") ) 3.23236 1.93942 0.65
assi ((resi 39 and name HN and segid "b") )((resi 38 and name HN and segid "b") ) 3.23236 1.93942 0.65
assi ((resi 30 and name HN and segid "a") )((resi 32 and name HN and segid "a") ) 4.25045 2.55027 0.85009
assi ((resi 30 and name HN and segid "b") )((resi 32 and name HN and segid "b") ) 4.25045 2.55027 0.85009
assi ((resi 38 and name HD2# and segid "a") )((resi 38 and name HN and segid "a") ) 4.01329 2.40797 0.802658
assi ((resi 38 and name HD2# and segid "b") )((resi 38 and name HN and segid "b") ) 4.01329 2.40797 0.802658
assi ((resi 38 and name HD2# and segid "a") )((resi 38 and name HN and segid "a") ) 4.34188 2.60513 0.868376
assi ((resi 38 and name HD2# and segid "b") )((resi 38 and name HN and segid "b") ) 4.34188 2.60513 0.868376
assi ((resi 17 and name HN and segid "a") )((resi 16 and name HN and segid "a") ) 3.27379 1.96427 0.654757
assi ((resi 17 and name HN and segid "b") )((resi 16 and name HN and segid "b") ) 3.27379 1.96427 0.654757
assi ((resi 78 and name HN and segid "a") )((resi 77 and name HN and segid "a") ) 2.78238 1.66943 0.65
assi ((resi 78 and name HN and segid "b") )((resi 77 and name HN and segid "b") ) 2.78238 1.66943 0.65
assi ((resi 42 and name HN and segid "a") )((resi 43 and name HN and segid "a") ) 3.36401 2.0184 0.672801
assi ((resi 42 and name HN and segid "b") )((resi 43 and name HN and segid "b") ) 3.36401 2.0184 0.672801
assi ((resi 80 and name HN and segid "a") )((resi 81 and name HN and segid "a") ) 3.16324 1.89794 0.65
assi ((resi 80 and name HN and segid "b") )((resi 81 and name HN and segid "b") ) 3.16324 1.89794 0.65
assi ((resi 82 and name HN and segid "a") )((resi 81 and name HN and segid "a") ) 3.57123 2.14274 0.714246
assi ((resi 82 and name HN and segid "b") )((resi 81 and name HN and segid "b") ) 3.57123 2.14274 0.714246
assi ((resi 75 and name HN and segid "a") )((resi 76 and name HN and segid "a") ) 2.85435 1.71261 0.65
assi ((resi 75 and name HN and segid "b") )((resi 76 and name HN and segid "b") ) 2.85435 1.71261 0.65
assi ((resi 41 and name HN and segid "a") )((resi 44 and name HN and segid "a") ) 4.13944 2.48367 0.827889
assi ((resi 41 and name HN and segid "b") )((resi 44 and name HN and segid "b") ) 4.13944 2.48367 0.827889
assi ((resi 45 and name HN and segid "a") )((resi 44 and name HN and segid "a") ) 3.04959 1.82976 0.65
assi ((resi 45 and name HN and segid "b") )((resi 44 and name HN and segid "b") ) 3.04959 1.82976 0.65
assi ((resi 3 and name HN and segid "a") )((resi 4 and name HN and segid "a") ) 3.40936 2.04562 0.681873
assi ((resi 3 and name HN and segid "b") )((resi 4 and name HN and segid "b") ) 3.40936 2.04562 0.681873
assi ((resi 9 and name HN and segid "a") )((resi 10 and name HN and segid "a") ) 2.91853 1.75112 0.65
assi ((resi 9 and name HN and segid "b") )((resi 10 and name HN and segid "b") ) 2.91853 1.75112 0.65
assi ((resi 36 and name HN and segid "a") )((resi 35 and name HN and segid "a") ) 2.77613 1.66568 0.65
assi ((resi 36 and name HN and segid "b") )((resi 35 and name HN and segid "b") ) 2.77613 1.66568 0.65
assi ((resi 55 and name HN and segid "a") )((resi 56 and name HN and segid "a") ) 3.3806 2.02836 0.67612
assi ((resi 55 and name HN and segid "b") )((resi 56 and name HN and segid "b") ) 3.3806 2.02836 0.67612
assi ((resi 67 and name HN and segid "a") )((resi 66 and name HN and segid "a") ) 3.33921 2.00353 0.667843
assi ((resi 67 and name HN and segid "b") )((resi 66 and name HN and segid "b") ) 3.33921 2.00353 0.667843
assi ((resi 57 and name HN and segid "a") )((resi 56 and name HN and segid "a") ) 2.54581 1.52748 0.65
assi ((resi 57 and name HN and segid "b") )((resi 56 and name HN and segid "b") ) 2.54581 1.52748 0.65
assi ((resi 31 and name HN and segid "a") )((resi 33 and name HN and segid "a") ) 4.18115 2.50869 0.83623
assi ((resi 31 and name HN and segid "b") )((resi 33 and name HN and segid "b") ) 4.18115 2.50869 0.83623
assi ((resi 20 and name HN and segid "a") )((resi 19 and name HN and segid "a") ) 3.09565 1.85739 0.65
assi ((resi 20 and name HN and segid "b") )((resi 19 and name HN and segid "b") ) 3.09565 1.85739 0.65
assi ((resi 63 and name HN and segid "a") )((resi 64 and name HN and segid "a") ) 3.8772 2.32632 0.775439
assi ((resi 63 and name HN and segid "b") )((resi 64 and name HN and segid "b") ) 3.8772 2.32632 0.775439
assi ((resi 58 and name HN and segid "a") )((resi 59 and name HN and segid "a") ) 3.30697 1.98418 0.661394
assi ((resi 58 and name HN and segid "b") )((resi 59 and name HN and segid "b") ) 3.30697 1.98418 0.661394
assi ((resi 72 and name HN and segid "a") )((resi 71 and name HN and segid "a") ) 2.65597 1.59358 0.65
assi ((resi 72 and name HN and segid "b") )((resi 71 and name HN and segid "b") ) 2.65597 1.59358 0.65
assi ((resi 70 and name HN and segid "a") )((resi 71 and name HN and segid "a") ) 3.62658 2.17595 0.725316
assi ((resi 70 and name HN and segid "b") )((resi 71 and name HN and segid "b") ) 3.62658 2.17595 0.725316
assi ((resi 78 and name HN and segid "a") )((resi 79 and name HN and segid "a") ) 3.00332 1.80199 0.65
assi ((resi 78 and name HN and segid "b") )((resi 79 and name HN and segid "b") ) 3.00332 1.80199 0.65
assi ((resi 7 and name HN and segid "a") )((resi 6 and name HN and segid "a") ) 3.03779 1.82268 0.65
assi ((resi 7 and name HN and segid "b") )((resi 6 and name HN and segid "b") ) 3.03779 1.82268 0.65
assi ((resi 5 and name HN and segid "a") )((resi 6 and name HN and segid "a") ) 2.88307 1.72984 0.65
assi ((resi 5 and name HN and segid "b") )((resi 6 and name HN and segid "b") ) 2.88307 1.72984 0.65
assi ((resi 75 and name HN and segid "a") )((resi 74 and name HN and segid "a") ) 2.75598 1.65359 0.65
assi ((resi 75 and name HN and segid "b") )((resi 74 and name HN and segid "b") ) 2.75598 1.65359 0.65
assi ((resi 38 and name HN and segid "a") )((resi 37 and name HN and segid "a") ) 3.13067 1.8784 0.65
assi ((resi 38 and name HN and segid "b") )((resi 37 and name HN and segid "b") ) 3.13067 1.8784 0.65
assi ((resi 50 and name HE21 and segid "a") )((resi 50 and name HE22 and segid "a") ) 1.95147 1.17088 0.65
assi ((resi 50 and name HE22 and segid "b") )((resi 50 and name HE21 and segid "b") ) 1.95147 1.17088 0.65
assi ((resi 56 and name HN and segid "a") )((resi 55 and name HN and segid "a") ) 2.8666 1.71996 0.65
assi ((resi 56 and name HN and segid "b") )((resi 55 and name HN and segid "b") ) 2.8666 1.71996 0.65
assi ((resi 53 and name HN and segid "a") )((resi 55 and name HN and segid "a") ) 3.31427 1.98856 0.662855
assi ((resi 53 and name HN and segid "b") )((resi 55 and name HN and segid "b") ) 3.31427 1.98856 0.662855
assi ((resi 61 and name HN and segid "a") )((resi 62 and name HN and segid "a") ) 2.63392 1.58035 0.65
assi ((resi 61 and name HN and segid "b") )((resi 62 and name HN and segid "b") ) 2.63392 1.58035 0.65
assi ((resi 57 and name HN and segid "a") )((resi 55 and name HN and segid "a") ) 4.39278 2.63567 0.878557
assi ((resi 57 and name HN and segid "b") )((resi 55 and name HN and segid "b") ) 4.39278 2.63567 0.878557
assi ((resi 81 and name HN and segid "a") )((resi 80 and name HN and segid "a") ) 2.58639 1.55183 0.65
assi ((resi 81 and name HN and segid "b") )((resi 80 and name HN and segid "b") ) 2.58639 1.55183 0.65
assi ((resi 39 and name HN and segid "a") )((resi 40 and name HN and segid "a") ) 3.00673 1.80404 0.65
assi ((resi 39 and name HN and segid "b") )((resi 40 and name HN and segid "b") ) 3.00673 1.80404 0.65
assi ((resi 41 and name HN and segid "a") )((resi 40 and name HN and segid "a") ) 3.08039 1.84823 0.65
assi ((resi 41 and name HN and segid "b") )((resi 40 and name HN and segid "b") ) 3.08039 1.84823 0.65
assi ((resi 63 and name HN and segid "a") )((resi 62 and name HN and segid "a") ) 3.247 1.9482 0.65
assi ((resi 63 and name HN and segid "b") )((resi 62 and name HN and segid "b") ) 3.247 1.9482 0.65
assi ((resi 20 and name HN and segid "a") )((resi 21 and name HN and segid "a") ) 3.35483 2.0129 0.670967
assi ((resi 20 and name HN and segid "b") )((resi 21 and name HN and segid "b") ) 3.35483 2.0129 0.670967
assi ((resi 22 and name HN and segid "a") )((resi 21 and name HN and segid "a") ) 3.28322 1.96993 0.656645
assi ((resi 22 and name HN and segid "b") )((resi 21 and name HN and segid "b") ) 3.28322 1.96993 0.656645
assi ((resi 50 and name HN and segid "a") )((resi 49 and name HN and segid "a") ) 4.10487 2.46292 0.820974
assi ((resi 50 and name HN and segid "b") )((resi 49 and name HN and segid "b") ) 4.10487 2.46292 0.820974
assi ((resi 8 and name HN and segid "a") )((resi 9 and name HN and segid "a") ) 2.82179 1.69308 0.65
assi ((resi 8 and name HN and segid "b") )((resi 9 and name HN and segid "b") ) 2.82179 1.69308 0.65
assi ((resi 25 and name HN and segid "a") )((resi 26 and name HN and segid "a") ) 3.13935 1.88361 0.65
assi ((resi 25 and name HN and segid "b") )((resi 26 and name HN and segid "b") ) 3.13935 1.88361 0.65
assi ((resi 10 and name HN and segid "a") )((resi 9 and name HN and segid "a") ) 2.9414 1.76484 0.65
assi ((resi 10 and name HN and segid "b") )((resi 9 and name HN and segid "b") ) 2.9414 1.76484 0.65
assi ((resi 7 and name HN and segid "a") )((resi 9 and name HN and segid "a") ) 4.19752 2.51851 0.839505
assi ((resi 7 and name HN and segid "b") )((resi 9 and name HN and segid "b") ) 4.19752 2.51851 0.839505
assi ((resi 45 and name HN and segid "a") )((resi 46 and name HN and segid "a") ) 2.28904 1.37342 0.65
assi ((resi 45 and name HN and segid "b") )((resi 46 and name HN and segid "b") ) 2.28904 1.37342 0.65
assi ((resi 44 and name HN and segid "a") )((resi 46 and name HN and segid "a") ) 3.62462 2.17477 0.724924
assi ((resi 44 and name HN and segid "b") )((resi 46 and name HN and segid "b") ) 3.62462 2.17477 0.724924
assi ((resi 38 and name HN and segid "a") )((resi 38 and name HD2# and segid "a") ) 4.19872 2.51923 0.839745
assi ((resi 38 and name HN and segid "b") )((resi 38 and name HD2# and segid "b") ) 4.19872 2.51923 0.839745
assi ((resi 38 and name HD21 and segid "a") )((resi 38 and name HD22 and segid "a") ) 1.84197 1.10518 0.65
assi ((resi 38 and name HD22 and segid "b") )((resi 38 and name HD21 and segid "b") ) 1.84197 1.10518 0.65
assi ((resi 77 and name HN and segid "a") )((resi 75 and name HN and segid "a") ) 3.26272 1.95763 0.852544
assi ((resi 77 and name HN and segid "b") )((resi 75 and name HN and segid "b") ) 3.26272 1.95763 0.852544
assi ((resi 74 and name HN and segid "a") )((resi 75 and name HN and segid "a") ) 2.64702 1.58821 0.65
assi ((resi 74 and name HN and segid "b") )((resi 75 and name HN and segid "b") ) 2.64702 1.58821 0.65
assi ((resi 76 and name HN and segid "a") )((resi 75 and name HN and segid "a") ) 2.92694 1.75616 0.65
assi ((resi 76 and name HN and segid "b") )((resi 75 and name HN and segid "b") ) 2.92694 1.75616 0.65
assi ((resi 83 and name HN and segid "a") )((resi 84 and name HN and segid "a") ) 4.40503 2.64302 0.881007
assi ((resi 83 and name HN and segid "b") )((resi 84 and name HN and segid "b") ) 4.40503 2.64302 0.881007
assi ((resi 16 and name HE21 and segid "a") )((resi 16 and name HE22 and segid "a") ) 1.71925 1.03155 0.65
assi ((resi 16 and name HE22 and segid "b") )((resi 16 and name HE21 and segid "b") ) 1.71925 1.03155 0.65
assi ((resi 16 and name HN and segid "a") )((resi 17 and name HN and segid "a") ) 3.03846 1.82307 0.65
assi ((resi 16 and name HN and segid "b") )((resi 17 and name HN and segid "b") ) 3.03846 1.82307 0.65
assi ((resi 46 and name HN and segid "a") )((resi 45 and name HN and segid "a") ) 2.79036 1.67422 0.65
assi ((resi 46 and name HN and segid "b") )((resi 45 and name HN and segid "b") ) 2.79036 1.67422 0.65
!assi ((resi 70 and name HN and segid "a") )((resi 70 and name HE# and segid "a") ) 3.61527 2.16916 0.723053
!assi ((resi 70 and name HN and segid "b") )((resi 70 and name HE# and segid "b") ) 3.61527 2.16916 0.723053
assi ((resi 76 and name HN and segid "a") )((resi 76 and name HD# and segid "a") ) 3.83517 2.3011 0.767033
assi ((resi 76 and name HN and segid "b") )((resi 76 and name HD# and segid "b") ) 3.83517 2.3011 0.767033
assi ((resi 61 and name HN and segid "a") )((resi 63 and name HN and segid "a") ) 3.67626 2.20575 0.735251
assi ((resi 61 and name HN and segid "b") )((resi 63 and name HN and segid "b") ) 3.67626 2.20575 0.735251
assi ((resi 84 and name HN and segid "a") )((resi 83 and name HN and segid "a") ) 2.64952 1.58971 0.65
assi ((resi 84 and name HN and segid "b") )((resi 83 and name HN and segid "b") ) 2.64952 1.58971 0.65
assi ((resi 62 and name HN and segid "a") )((resi 63 and name HN and segid "a") ) 3.3968 2.03808 0.679361
assi ((resi 62 and name HN and segid "b") )((resi 63 and name HN and segid "b") ) 3.3968 2.03808 0.679361
assi ((resi 82 and name HN and segid "a") )((resi 83 and name HN and segid "a") ) 3.96518 2.37911 0.793036
assi ((resi 82 and name HN and segid "b") )((resi 83 and name HN and segid "b") ) 3.96518 2.37911 0.793036
assi ((resi 64 and name HN and segid "a") )((resi 63 and name HN and segid "a") ) 3.61942 2.17165 0.723884
assi ((resi 64 and name HN and segid "b") )((resi 63 and name HN and segid "b") ) 3.61942 2.17165 0.723884
assi ((resi 37 and name HN and segid "a") )((resi 37 and name HD2# and segid "a") ) 3.98528 2.39117 0.797057
assi ((resi 37 and name HN and segid "b") )((resi 37 and name HD2# and segid "b") ) 3.98528 2.39117 0.797057
assi ((resi 50 and name HN and segid "a") )((resi 52 and name HN and segid "a") ) 4.11728 2.47037 0.823456
assi ((resi 50 and name HN and segid "b") )((resi 52 and name HN and segid "b") ) 4.11728 2.47037 0.823456
assi ((resi 54 and name HN and segid "a") )((resi 52 and name HN and segid "a") ) 3.06261 1.83757 0.65
assi ((resi 54 and name HN and segid "b") )((resi 52 and name HN and segid "b") ) 3.06261 1.83757 0.65
assi ((resi 43 and name HN and segid "a") )((resi 43 and name HD# and segid "a") ) 4.33582 2.60149 0.867163
assi ((resi 43 and name HN and segid "b") )((resi 43 and name HD# and segid "b") ) 4.33582 2.60149 0.867163
assi ((resi 53 and name HN and segid "a") )((resi 52 and name HN and segid "a") ) 3.27681 1.96608 0.655361
assi ((resi 53 and name HN and segid "b") )((resi 52 and name HN and segid "b") ) 3.27681 1.96608 0.655361
assi ((resi 51 and name HN and segid "a") )((resi 52 and name HN and segid "a") ) 2.98587 1.79152 0.65
assi ((resi 51 and name HN and segid "b") )((resi 52 and name HN and segid "b") ) 2.98587 1.79152 0.65
assi ((resi 19 and name HN and segid "a") )((resi 20 and name HN and segid "a") ) 3.63805 2.18283 0.727609
assi ((resi 19 and name HN and segid "b") )((resi 20 and name HN and segid "b") ) 3.63805 2.18283 0.727609
assi ((resi 21 and name HN and segid "a") )((resi 20 and name HN and segid "a") ) 3.41826 2.05096 0.683653
assi ((resi 21 and name HN and segid "b") )((resi 20 and name HN and segid "b") ) 3.41826 2.05096 0.683653
assi ((resi 71 and name HE21 and segid "a") )((resi 71 and name HE22 and segid "a") ) 1.73248 1.03949 0.65
assi ((resi 71 and name HE22 and segid "b") )((resi 71 and name HE21 and segid "b") ) 1.73248 1.03949 0.65
!assi ((resi 73 and name HN and segid "a") )((resi 73 and name HE# and segid "a") ) 4.19943 2.51966 1.039885
!assi ((resi 73 and name HN and segid "b") )((resi 73 and name HE# and segid "b") ) 4.19943 2.51966 1.039885
!assi ((resi 73 and name HN and segid "a") )((resi 73 and name HE# and segid "a") ) 3.90681 2.34409 0.781362
!assi ((resi 73 and name HN and segid "b") )((resi 73 and name HE# and segid "b") ) 3.90681 2.34409 0.781362
assi ((resi 70 and name HN and segid "a") )((resi 70 and name HD# and segid "a") ) 3.99262 2.39557 0.798524
assi ((resi 70 and name HN and segid "b") )((resi 70 and name HD# and segid "b") ) 3.99262 2.39557 0.798524
assi ((resi 38 and name HN and segid "a") )((resi 38 and name HD2# and segid "a") ) 4.07877 2.44726 0.815753
assi ((resi 38 and name HN and segid "b") )((resi 38 and name HD2# and segid "b") ) 4.07877 2.44726 0.815753
assi ((resi 38 and name HD21 and segid "a") )((resi 38 and name HD22 and segid "a") ) 2.08847 1.25308 0.65
assi ((resi 38 and name HD22 and segid "b") )((resi 38 and name HD21 and segid "b") ) 2.08847 1.25308 0.65
assi ((resi 29 and name HN and segid "a") )((resi 31 and name HN and segid "a") ) 4.84059 2.90436 0.968119
assi ((resi 29 and name HN and segid "b") )((resi 31 and name HN and segid "b") ) 4.84059 2.90436 0.968119
!assi ((resi 14 and name HN and segid "a") )((resi 14 and name HE# and segid "a") ) 3.90597 2.34358 0.781193
!assi ((resi 14 and name HN and segid "b") )((resi 14 and name HE# and segid "b") ) 3.90597 2.34358 0.781193
assi ((resi 32 and name HN and segid "a") )((resi 31 and name HN and segid "a") ) 2.85284 1.7117 0.65
assi ((resi 32 and name HN and segid "b") )((resi 31 and name HN and segid "b") ) 2.85284 1.7117 0.65
assi ((resi 30 and name HN and segid "a") )((resi 31 and name HN and segid "a") ) 3.36278 2.01767 0.672556
assi ((resi 30 and name HN and segid "b") )((resi 31 and name HN and segid "b") ) 3.36278 2.01767 0.672556
assi ((resi 35 and name HN and segid "a") )((resi 34 and name HN and segid "a") ) 3.11343 1.86806 0.65
assi ((resi 35 and name HN and segid "b") )((resi 34 and name HN and segid "b") ) 3.11343 1.86806 0.65
assi ((resi 73 and name HN and segid "a") )((resi 73 and name HD# and segid "a") ) 3.59244 2.15547 0.718489
assi ((resi 73 and name HN and segid "b") )((resi 73 and name HD# and segid "b") ) 3.59244 2.15547 0.718489
assi ((resi 54 and name HN and segid "a") )((resi 53 and name HN and segid "a") ) 3.084 1.8504 0.65
assi ((resi 54 and name HN and segid "b") )((resi 53 and name HN and segid "b") ) 3.084 1.8504 0.65
assi ((resi 40 and name HN and segid "a") )((resi 41 and name HN and segid "a") ) 3.07506 1.84504 0.65
assi ((resi 40 and name HN and segid "b") )((resi 41 and name HN and segid "b") ) 3.07506 1.84504 0.65
assi ((resi 52 and name HN and segid "a") )((resi 53 and name HN and segid "a") ) 2.75605 1.65363 0.65
assi ((resi 52 and name HN and segid "b") )((resi 53 and name HN and segid "b") ) 2.75605 1.65363 0.65
assi ((resi 51 and name HN and segid "a") )((resi 53 and name HN and segid "a") ) 4.24644 2.54787 0.849288
assi ((resi 51 and name HN and segid "b") )((resi 53 and name HN and segid "b") ) 4.24644 2.54787 0.849288
assi ((resi 39 and name HN and segid "a") )((resi 41 and name HN and segid "a") ) 3.49867 2.0992 0.999734
assi ((resi 39 and name HN and segid "b") )((resi 41 and name HN and segid "b") ) 3.49867 2.0992 0.999734
assi ((resi 71 and name HE21 and segid "a") )((resi 71 and name HE22 and segid "a") ) 1.558 0.934799 0.65
assi ((resi 71 and name HE22 and segid "b") )((resi 71 and name HE21 and segid "b") ) 1.558 0.934799 0.65
assi ((resi 16 and name HE21 and segid "a") )((resi 16 and name HE22 and segid "a") ) 1.76531 1.05918 0.65
assi ((resi 16 and name HE22 and segid "b") )((resi 16 and name HE21 and segid "b") ) 1.76531 1.05918 0.65
assi ((resi 70 and name HN and segid "a") )((resi 69 and name HA and segid "a") ) 3.34201 2.00521 0.668402
assi ((resi 70 and name HN and segid "b") )((resi 69 and name HA and segid "b") ) 3.34201 2.00521 0.668402
assi ((resi 27 and name HN and segid "a") )((resi 26 and name HA and segid "a") ) 2.65885 1.59531 0.65
assi ((resi 27 and name HN and segid "b") )((resi 26 and name HA and segid "b") ) 2.65885 1.59531 0.65
assi ((resi 68 and name HN and segid "a") )((resi 67 and name HA and segid "a") ) 2.23482 1.34089 0.65
assi ((resi 68 and name HN and segid "b") )((resi 67 and name HA and segid "b") ) 2.23482 1.34089 0.65
assi ((resi 67 and name HN and segid "a") )((resi 67 and name HA and segid "a") ) 3.31269 1.98761 0.662538
assi ((resi 67 and name HN and segid "b") )((resi 67 and name HA and segid "b") ) 3.31269 1.98761 0.662538
assi ((resi 63 and name HN and segid "a") )((resi 63 and name HA and segid "a") ) 3.37897 2.02738 0.675793
assi ((resi 63 and name HN and segid "b") )((resi 63 and name HA and segid "b") ) 3.37897 2.02738 0.675793
assi ((resi 64 and name HN and segid "a") )((resi 63 and name HA and segid "a") ) 3.06943 1.84166 0.65
assi ((resi 64 and name HN and segid "b") )((resi 63 and name HA and segid "b") ) 3.06943 1.84166 0.65
assi ((resi 26 and name HN and segid "a") )((resi 25 and name HA and segid "a") ) 3.68016 2.2081 0.736032
assi ((resi 26 and name HN and segid "b") )((resi 25 and name HA and segid "b") ) 3.68016 2.2081 0.736032
assi ((resi 25 and name HN and segid "a") )((resi 25 and name HA and segid "a") ) 3.07884 1.8473 0.65
assi ((resi 25 and name HN and segid "b") )((resi 25 and name HA and segid "b") ) 3.07884 1.8473 0.65
assi ((resi 39 and name HN and segid "a") )((resi 39 and name HA and segid "a") ) 3.37154 2.02293 0.674309
assi ((resi 39 and name HN and segid "b") )((resi 39 and name HA and segid "b") ) 3.37154 2.02293 0.674309
assi ((resi 65 and name HN and segid "a") )((resi 65 and name HA and segid "a") ) 2.75958 1.65575 0.65
assi ((resi 65 and name HN and segid "b") )((resi 65 and name HA and segid "b") ) 2.75958 1.65575 0.65
assi ((resi 28 and name HN and segid "a") )((resi 28 and name HA and segid "a") ) 2.63915 1.58349 0.65
assi ((resi 28 and name HN and segid "b") )((resi 28 and name HA and segid "b") ) 2.63915 1.58349 0.65
assi ((resi 50 and name HN and segid "a") )((resi 49 and name HA and segid "a") ) 2.72492 1.63495 0.65
assi ((resi 50 and name HN and segid "b") )((resi 49 and name HA and segid "b") ) 2.72492 1.63495 0.65
assi ((resi 84 and name HN and segid "a") )((resi 84 and name HA and segid "a") ) 3.68683 2.2121 0.737366
assi ((resi 84 and name HN and segid "b") )((resi 84 and name HA and segid "b") ) 3.68683 2.2121 0.737366
assi ((resi 42 and name HN and segid "a") )((resi 42 and name HA and segid "a") ) 4.53485 2.72091 0.90697
assi ((resi 42 and name HN and segid "b") )((resi 42 and name HA and segid "b") ) 4.53485 2.72091 0.90697
assi ((resi 38 and name HN and segid "a") )((resi 38 and name HA and segid "a") ) 3.53993 2.12396 0.707986
assi ((resi 38 and name HN and segid "b") )((resi 38 and name HA and segid "b") ) 3.53993 2.12396 0.707986
assi ((resi 39 and name HN and segid "a") )((resi 38 and name HA and segid "a") ) 3.8285 2.2971 0.765699
assi ((resi 39 and name HN and segid "b") )((resi 38 and name HA and segid "b") ) 3.8285 2.2971 0.765699
assi ((resi 43 and name HN and segid "a") )((resi 43 and name HA and segid "a") ) 3.93456 2.36073 0.786911
assi ((resi 43 and name HN and segid "b") )((resi 43 and name HA and segid "b") ) 3.93456 2.36073 0.786911
assi ((resi 59 and name HN and segid "a") )((resi 59 and name HB and segid "a") ) 2.7982 1.67892 0.65
assi ((resi 59 and name HN and segid "b") )((resi 59 and name HB and segid "b") ) 2.7982 1.67892 0.65
assi ((resi 21 and name HN and segid "a") )((resi 21 and name HA and segid "a") ) 3.24049 1.94429 0.65
assi ((resi 21 and name HN and segid "b") )((resi 21 and name HA and segid "b") ) 3.24049 1.94429 0.65
assi ((resi 22 and name HN and segid "a") )((resi 21 and name HA and segid "a") ) 2.82257 1.69354 0.65
assi ((resi 22 and name HN and segid "b") )((resi 21 and name HA and segid "b") ) 2.82257 1.69354 0.65
assi ((resi 24 and name HN and segid "a") )((resi 23 and name HA and segid "a") ) 3.01067 1.8064 0.65
assi ((resi 24 and name HN and segid "b") )((resi 23 and name HA and segid "b") ) 3.01067 1.8064 0.65
assi ((resi 60 and name HN and segid "a") )((resi 59 and name HB and segid "a") ) 3.52124 2.11274 0.704248
assi ((resi 60 and name HN and segid "b") )((resi 59 and name HB and segid "b") ) 3.52124 2.11274 0.704248
assi ((resi 84 and name HN and segid "a") )((resi 83 and name HA and segid "a") ) 4.37707 2.62624 0.875413
assi ((resi 84 and name HN and segid "b") )((resi 83 and name HA and segid "b") ) 4.37707 2.62624 0.875413
assi ((resi 83 and name HN and segid "a") )((resi 83 and name HA and segid "a") ) 3.37834 2.027 0.675667
assi ((resi 83 and name HN and segid "b") )((resi 83 and name HA and segid "b") ) 3.37834 2.027 0.675667
assi ((resi 49 and name HN and segid "a") )((resi 48 and name HA and segid "a") ) 3.2271 1.93626 0.65
assi ((resi 49 and name HN and segid "b") )((resi 48 and name HA and segid "b") ) 3.2271 1.93626 0.65
assi ((resi 48 and name HN and segid "a") )((resi 48 and name HA and segid "a") ) 3.76668 2.26001 0.753335
assi ((resi 48 and name HN and segid "b") )((resi 48 and name HA and segid "b") ) 3.76668 2.26001 0.753335
assi ((resi 73 and name HN and segid "a") )((resi 73 and name HA and segid "a") ) 2.7225 1.6335 0.65
assi ((resi 73 and name HN and segid "b") )((resi 73 and name HA and segid "b") ) 2.7225 1.6335 0.65
assi ((resi 74 and name HN and segid "a") )((resi 73 and name HA and segid "a") ) 3.47766 2.0866 0.695532
assi ((resi 74 and name HN and segid "b") )((resi 73 and name HA and segid "b") ) 3.47766 2.0866 0.695532
assi ((resi 31 and name HN and segid "a") )((resi 31 and name HA and segid "a") ) 3.30661 1.98397 0.661322
assi ((resi 31 and name HN and segid "b") )((resi 31 and name HA and segid "b") ) 3.30661 1.98397 0.661322
assi ((resi 34 and name HN and segid "a") )((resi 31 and name HA and segid "a") ) 3.39548 2.03729 0.679096
assi ((resi 34 and name HN and segid "b") )((resi 31 and name HA and segid "b") ) 3.39548 2.03729 0.679096
assi ((resi 62 and name HN and segid "a") )((resi 62 and name HA and segid "a") ) 2.95744 1.77446 0.65
assi ((resi 62 and name HN and segid "b") )((resi 62 and name HA and segid "b") ) 2.95744 1.77446 0.65
assi ((resi 6 and name HN and segid "a") )((resi 6 and name HA and segid "a") ) 2.91237 1.74742 0.65
assi ((resi 6 and name HN and segid "b") )((resi 6 and name HA and segid "b") ) 2.91237 1.74742 0.65
assi ((resi 77 and name HN and segid "a") )((resi 76 and name HA and segid "a") ) 2.95373 1.77224 0.65
assi ((resi 77 and name HN and segid "b") )((resi 76 and name HA and segid "b") ) 2.95373 1.77224 0.65
assi ((resi 76 and name HN and segid "a") )((resi 76 and name HA and segid "a") ) 2.84157 1.70494 0.65
assi ((resi 76 and name HN and segid "b") )((resi 76 and name HA and segid "b") ) 2.84157 1.70494 0.65
assi ((resi 7 and name HN and segid "a") )((resi 6 and name HA and segid "a") ) 3.4128 2.04768 0.682561
assi ((resi 7 and name HN and segid "b") )((resi 6 and name HA and segid "b") ) 3.4128 2.04768 0.682561
assi ((resi 79 and name HN and segid "a") )((resi 76 and name HA and segid "a") ) 3.07303 1.84382 0.65
assi ((resi 79 and name HN and segid "b") )((resi 76 and name HA and segid "b") ) 3.07303 1.84382 0.65
assi ((resi 82 and name HN and segid "a") )((resi 81 and name HB and segid "a") ) 3.21136 1.92682 0.65
assi ((resi 82 and name HN and segid "b") )((resi 81 and name HB and segid "b") ) 3.21136 1.92682 0.65
assi ((resi 2 and name HN and segid "a") )((resi 1 and name HB# and segid "a") ) 3.43383 2.0603 0.686767
assi ((resi 2 and name HN and segid "b") )((resi 1 and name HB# and segid "b") ) 3.43383 2.0603 0.686767
assi ((resi 54 and name HN and segid "a") )((resi 54 and name HA and segid "a") ) 2.66174 1.59704 0.65
assi ((resi 54 and name HN and segid "b") )((resi 54 and name HA and segid "b") ) 2.66174 1.59704 0.65
assi ((resi 24 and name HN and segid "a") )((resi 24 and name HA and segid "a") ) 3.45172 2.07103 0.690344
assi ((resi 24 and name HN and segid "b") )((resi 24 and name HA and segid "b") ) 3.45172 2.07103 0.690344
assi ((resi 89 and name HN and segid "a") )((resi 89 and name HA and segid "a") ) 3.32047 1.99228 0.664094
assi ((resi 89 and name HN and segid "b") )((resi 89 and name HA and segid "b") ) 3.32047 1.99228 0.664094
assi ((resi 45 and name HN and segid "a") )((resi 45 and name HA and segid "a") ) 2.61752 1.57051 0.65
assi ((resi 45 and name HN and segid "b") )((resi 45 and name HA and segid "b") ) 2.61752 1.57051 0.65
assi ((resi 37 and name HN and segid "a") )((resi 37 and name HA and segid "a") ) 3.1565 1.8939 0.65
assi ((resi 37 and name HN and segid "b") )((resi 37 and name HA and segid "b") ) 3.1565 1.8939 0.65
assi ((resi 38 and name HN and segid "a") )((resi 37 and name HA and segid "a") ) 3.84893 2.30936 0.769786
assi ((resi 38 and name HN and segid "b") )((resi 37 and name HA and segid "b") ) 3.84893 2.30936 0.769786
assi ((resi 31 and name HN and segid "a") )((resi 30 and name HA and segid "a") ) 6.54376 3.92625 1.30875
assi ((resi 31 and name HN and segid "b") )((resi 30 and name HA and segid "b") ) 6.54376 3.92625 1.30875
assi ((resi 33 and name HN and segid "a") )((resi 30 and name HA and segid "a") ) 3.96018 2.37611 0.792036
assi ((resi 33 and name HN and segid "b") )((resi 30 and name HA and segid "b") ) 3.96018 2.37611 0.792036
assi ((resi 30 and name HN and segid "a") )((resi 30 and name HA and segid "a") ) 3.29606 1.97764 0.659213
assi ((resi 30 and name HN and segid "b") )((resi 30 and name HA and segid "b") ) 3.29606 1.97764 0.659213
assi ((resi 56 and name HN and segid "a") )((resi 55 and name HA and segid "a") ) 2.92042 1.75225 0.65
assi ((resi 56 and name HN and segid "b") )((resi 55 and name HA and segid "b") ) 2.92042 1.75225 0.65
assi ((resi 13 and name HN and segid "a") )((resi 10 and name HA and segid "a") ) 2.93143 1.75886 0.65
assi ((resi 13 and name HN and segid "b") )((resi 10 and name HA and segid "b") ) 2.93143 1.75886 0.65
assi ((resi 55 and name HN and segid "a") )((resi 55 and name HA and segid "a") ) 2.47285 1.48371 0.65
assi ((resi 55 and name HN and segid "b") )((resi 55 and name HA and segid "b") ) 2.47285 1.48371 0.65
assi ((resi 67 and name HN and segid "a") )((resi 66 and name HA# and segid "a") ) 2.75665 1.65399 0.65
assi ((resi 67 and name HN and segid "b") )((resi 66 and name HA# and segid "b") ) 2.75665 1.65399 0.65
assi ((resi 66 and name HN and segid "a") )((resi 66 and name HA# and segid "a") ) 3.23443 1.94066 0.65
assi ((resi 66 and name HN and segid "b") )((resi 66 and name HA# and segid "b") ) 3.23443 1.94066 0.65
assi ((resi 14 and name HN and segid "a") )((resi 10 and name HA and segid "a") ) 3.56986 2.14192 0.713972
assi ((resi 14 and name HN and segid "b") )((resi 10 and name HA and segid "b") ) 3.56986 2.14192 0.713972
assi ((resi 54 and name HN and segid "a") )((resi 51 and name HA and segid "a") ) 3.37657 2.02594 0.675313
assi ((resi 54 and name HN and segid "b") )((resi 51 and name HA and segid "b") ) 3.37657 2.02594 0.675313
assi ((resi 10 and name HN and segid "a") )((resi 10 and name HA and segid "a") ) 2.74036 1.64421 0.65
assi ((resi 10 and name HN and segid "b") )((resi 10 and name HA and segid "b") ) 2.74036 1.64421 0.65
assi ((resi 51 and name HN and segid "a") )((resi 51 and name HA and segid "a") ) 2.83638 1.70183 0.65
assi ((resi 51 and name HN and segid "b") )((resi 51 and name HA and segid "b") ) 2.83638 1.70183 0.65
assi ((resi 57 and name HN and segid "a") )((resi 57 and name HA and segid "a") ) 2.97024 1.78215 0.65
assi ((resi 57 and name HN and segid "b") )((resi 57 and name HA and segid "b") ) 2.97024 1.78215 0.65
assi ((resi 17 and name HN and segid "a") )((resi 17 and name HA and segid "a") ) 3.22441 1.93465 0.65
assi ((resi 17 and name HN and segid "b") )((resi 17 and name HA and segid "b") ) 3.22441 1.93465 0.65
assi ((resi 58 and name HN and segid "a") )((resi 58 and name HA and segid "a") ) 2.66076 1.59646 0.65
assi ((resi 58 and name HN and segid "b") )((resi 58 and name HA and segid "b") ) 2.66076 1.59646 0.65
assi ((resi 6 and name HN and segid "a") )((resi 3 and name HA and segid "a") ) 3.44605 2.06763 0.689209
assi ((resi 6 and name HN and segid "b") )((resi 3 and name HA and segid "b") ) 3.44605 2.06763 0.689209
assi ((resi 2 and name HN and segid "a") )((resi 2 and name HA and segid "a") ) 2.83558 1.70135 0.65
assi ((resi 2 and name HN and segid "b") )((resi 2 and name HA and segid "b") ) 2.83558 1.70135 0.65
assi ((resi 59 and name HN and segid "a") )((resi 59 and name HA and segid "a") ) 2.78473 1.67084 0.65
assi ((resi 59 and name HN and segid "b") )((resi 59 and name HA and segid "b") ) 2.78473 1.67084 0.65
assi ((resi 44 and name HN and segid "a") )((resi 44 and name HA and segid "a") ) 3.52571 2.11542 0.705142
assi ((resi 44 and name HN and segid "b") )((resi 44 and name HA and segid "b") ) 3.52571 2.11542 0.705142
assi ((resi 91 and name HN and segid "a") )((resi 91 and name HA and segid "a") ) 3.81149 2.28689 0.762297
assi ((resi 91 and name HN and segid "b") )((resi 91 and name HA and segid "b") ) 3.81149 2.28689 0.762297
assi ((resi 34 and name HN and segid "a") )((resi 34 and name HA and segid "a") ) 2.92338 1.75403 0.65
assi ((resi 34 and name HN and segid "b") )((resi 34 and name HA and segid "b") ) 2.92338 1.75403 0.65
assi ((resi 37 and name HN and segid "a") )((resi 34 and name HA and segid "a") ) 3.55982 2.13589 0.711964
assi ((resi 37 and name HN and segid "b") )((resi 34 and name HA and segid "b") ) 3.55982 2.13589 0.711964
assi ((resi 62 and name HN and segid "a") )((resi 62 and name HB# and segid "a") ) 2.62597 1.57558 0.65
assi ((resi 62 and name HN and segid "b") )((resi 62 and name HB# and segid "b") ) 2.62597 1.57558 0.65
assi ((resi 88 and name HN and segid "a") )((resi 88 and name HA and segid "a") ) 2.76413 1.65848 0.65
assi ((resi 88 and name HN and segid "b") )((resi 88 and name HA and segid "b") ) 2.76413 1.65848 0.65
assi ((resi 48 and name HN and segid "a") )((resi 47 and name HA and segid "a") ) 2.83118 1.69871 0.65
assi ((resi 48 and name HN and segid "b") )((resi 47 and name HA and segid "b") ) 2.83118 1.69871 0.65
assi ((resi 72 and name HN and segid "a") )((resi 72 and name HA and segid "a") ) 2.75505 1.65303 0.65
assi ((resi 72 and name HN and segid "b") )((resi 72 and name HA and segid "b") ) 2.75505 1.65303 0.65
assi ((resi 47 and name HN and segid "a") )((resi 47 and name HA and segid "a") ) 3.24035 1.94421 0.65
assi ((resi 47 and name HN and segid "b") )((resi 47 and name HA and segid "b") ) 3.24035 1.94421 0.65
assi ((resi 73 and name HN and segid "a") )((resi 72 and name HA and segid "a") ) 3.2579 1.95474 0.65158
assi ((resi 73 and name HN and segid "b") )((resi 72 and name HA and segid "b") ) 3.2579 1.95474 0.65158
assi ((resi 33 and name HN and segid "a") )((resi 32 and name HA and segid "a") ) 3.50472 2.10283 0.700945
assi ((resi 33 and name HN and segid "b") )((resi 32 and name HA and segid "b") ) 3.50472 2.10283 0.700945
assi ((resi 49 and name HN and segid "a") )((resi 47 and name HA and segid "a") ) 2.95458 1.77275 0.85
assi ((resi 49 and name HN and segid "b") )((resi 47 and name HA and segid "b") ) 2.95458 1.77275 0.85
assi ((resi 89 and name HN and segid "a") )((resi 88 and name HA and segid "a") ) 2.78996 1.67398 0.65
assi ((resi 89 and name HN and segid "b") )((resi 88 and name HA and segid "b") ) 2.78996 1.67398 0.65
assi ((resi 59 and name HN and segid "a") )((resi 59 and name HA and segid "a") ) 2.2476 1.34856 0.65
assi ((resi 59 and name HN and segid "b") )((resi 59 and name HA and segid "b") ) 2.2476 1.34856 0.65
assi ((resi 20 and name HN and segid "a") )((resi 20 and name HA and segid "a") ) 2.91663 1.74998 0.65
assi ((resi 20 and name HN and segid "b") )((resi 20 and name HA and segid "b") ) 2.91663 1.74998 0.65
assi ((resi 60 and name HN and segid "a") )((resi 60 and name HA and segid "a") ) 3.09157 1.85494 0.65
assi ((resi 60 and name HN and segid "b") )((resi 60 and name HA and segid "b") ) 3.09157 1.85494 0.65
assi ((resi 81 and name HN and segid "a") )((resi 78 and name HA and segid "a") ) 3.29366 1.9762 0.658733
assi ((resi 81 and name HN and segid "b") )((resi 78 and name HA and segid "b") ) 3.29366 1.9762 0.658733
assi ((resi 82 and name HN and segid "a") )((resi 82 and name HB and segid "a") ) 3.85612 2.31367 0.771224
assi ((resi 82 and name HN and segid "b") )((resi 82 and name HB and segid "b") ) 3.85612 2.31367 0.771224
assi ((resi 64 and name HN and segid "a") )((resi 64 and name HA# and segid "a") ) 2.59173 1.55504 0.65
assi ((resi 64 and name HN and segid "b") )((resi 64 and name HA# and segid "b") ) 2.59173 1.55504 0.65
assi ((resi 8 and name HN and segid "a") )((resi 5 and name HA and segid "a") ) 3.83887 2.30332 0.767774
assi ((resi 8 and name HN and segid "b") )((resi 5 and name HA and segid "b") ) 3.83887 2.30332 0.767774
assi ((resi 79 and name HN and segid "a") )((resi 79 and name HA and segid "a") ) 2.79343 1.67606 0.65
assi ((resi 79 and name HN and segid "b") )((resi 79 and name HA and segid "b") ) 2.79343 1.67606 0.65
assi ((resi 80 and name HN and segid "a") )((resi 79 and name HA and segid "a") ) 3.34029 2.00418 0.668059
assi ((resi 80 and name HN and segid "b") )((resi 79 and name HA and segid "b") ) 3.34029 2.00418 0.668059
assi ((resi 5 and name HN and segid "a") )((resi 5 and name HA and segid "a") ) 3.35538 2.01323 0.671075
assi ((resi 5 and name HN and segid "b") )((resi 5 and name HA and segid "b") ) 3.35538 2.01323 0.671075
assi ((resi 65 and name HN and segid "a") )((resi 64 and name HA# and segid "a") ) 2.61487 1.56892 0.65
assi ((resi 65 and name HN and segid "b") )((resi 64 and name HA# and segid "b") ) 2.61487 1.56892 0.65
assi ((resi 23 and name HN and segid "a") )((resi 22 and name HA# and segid "a") ) 3.00909 1.80545 0.65
assi ((resi 23 and name HN and segid "b") )((resi 22 and name HA# and segid "b") ) 3.00909 1.80545 0.65
assi ((resi 22 and name HN and segid "a") )((resi 22 and name HA# and segid "a") ) 3.25271 1.95163 0.650542
assi ((resi 22 and name HN and segid "b") )((resi 22 and name HA# and segid "b") ) 3.25271 1.95163 0.650542
assi ((resi 16 and name HN and segid "a") )((resi 16 and name HA and segid "a") ) 2.70572 1.62343 0.65
assi ((resi 16 and name HN and segid "b") )((resi 16 and name HA and segid "b") ) 2.70572 1.62343 0.65
assi ((resi 13 and name HN and segid "a") )((resi 13 and name HA and segid "a") ) 2.87046 1.72228 0.65
assi ((resi 13 and name HN and segid "b") )((resi 13 and name HA and segid "b") ) 2.87046 1.72228 0.65
assi ((resi 14 and name HN and segid "a") )((resi 13 and name HA and segid "a") ) 3.29765 1.97859 0.659531
assi ((resi 14 and name HN and segid "b") )((resi 13 and name HA and segid "b") ) 3.29765 1.97859 0.659531
assi ((resi 67 and name HN and segid "a") )((resi 66 and name HA# and segid "a") ) 2.98431 1.79058 0.65
assi ((resi 67 and name HN and segid "b") )((resi 66 and name HA# and segid "b") ) 2.98431 1.79058 0.65
assi ((resi 66 and name HN and segid "a") )((resi 66 and name HA# and segid "a") ) 3.00012 1.80007 0.65
assi ((resi 66 and name HN and segid "b") )((resi 66 and name HA# and segid "b") ) 3.00012 1.80007 0.65
assi ((resi 19 and name HN and segid "a") )((resi 19 and name HA# and segid "a") ) 2.85787 1.71472 0.65
assi ((resi 19 and name HN and segid "b") )((resi 19 and name HA# and segid "b") ) 2.85787 1.71472 0.65
assi ((resi 50 and name HN and segid "a") )((resi 50 and name HA and segid "a") ) 3.08829 1.85297 0.65
assi ((resi 50 and name HN and segid "b") )((resi 50 and name HA and segid "b") ) 3.08829 1.85297 0.65
assi ((resi 10 and name HN and segid "a") )((resi 7 and name HA and segid "a") ) 3.38194 2.02916 0.676388
assi ((resi 10 and name HN and segid "b") )((resi 7 and name HA and segid "b") ) 3.38194 2.02916 0.676388
assi ((resi 7 and name HN and segid "a") )((resi 7 and name HA and segid "a") ) 3.14005 1.88403 0.65
assi ((resi 7 and name HN and segid "b") )((resi 7 and name HA and segid "b") ) 3.14005 1.88403 0.65
assi ((resi 50 and name HE2# and segid "a") )((resi 50 and name HA and segid "a") ) 4.31805 2.59083 0.86361
assi ((resi 50 and name HE2# and segid "b") )((resi 50 and name HA and segid "b") ) 4.31805 2.59083 0.86361
assi ((resi 23 and name HN and segid "a") )((resi 22 and name HA# and segid "a") ) 3.32671 1.99603 0.665342
assi ((resi 23 and name HN and segid "b") )((resi 22 and name HA# and segid "b") ) 3.32671 1.99603 0.665342
assi ((resi 25 and name HN and segid "a") )((resi 25 and name HB# and segid "a") ) 3.17535 1.90521 0.65
assi ((resi 25 and name HN and segid "b") )((resi 25 and name HB# and segid "b") ) 3.17535 1.90521 0.65
assi ((resi 22 and name HN and segid "a") )((resi 22 and name HA# and segid "a") ) 3.05501 1.83301 0.65
assi ((resi 22 and name HN and segid "b") )((resi 22 and name HA# and segid "b") ) 3.05501 1.83301 0.65
assi ((resi 55 and name HN and segid "a") )((resi 52 and name HA and segid "a") ) 3.46052 2.07631 0.692104
assi ((resi 55 and name HN and segid "b") )((resi 52 and name HA and segid "b") ) 3.46052 2.07631 0.692104
assi ((resi 52 and name HN and segid "a") )((resi 52 and name HA and segid "a") ) 2.7258 1.63548 0.65
assi ((resi 52 and name HN and segid "b") )((resi 52 and name HA and segid "b") ) 2.7258 1.63548 0.65
assi ((resi 56 and name HN and segid "a") )((resi 56 and name HA and segid "a") ) 3.07681 1.84608 0.65
assi ((resi 56 and name HN and segid "b") )((resi 56 and name HA and segid "b") ) 3.07681 1.84608 0.65
assi ((resi 59 and name HN and segid "a") )((resi 56 and name HA and segid "a") ) 3.71671 2.23002 0.743342
assi ((resi 59 and name HN and segid "b") )((resi 56 and name HA and segid "b") ) 3.71671 2.23002 0.743342
assi ((resi 57 and name HN and segid "a") )((resi 56 and name HA and segid "a") ) 4.19948 2.51969 0.839896
assi ((resi 57 and name HN and segid "b") )((resi 56 and name HA and segid "b") ) 4.19948 2.51969 0.839896
assi ((resi 84 and name HN and segid "a") )((resi 81 and name HA and segid "a") ) 3.98911 2.39346 0.797821
assi ((resi 84 and name HN and segid "b") )((resi 81 and name HA and segid "b") ) 3.98911 2.39346 0.797821
assi ((resi 81 and name HN and segid "a") )((resi 81 and name HA and segid "a") ) 3.2001 1.92006 0.65
assi ((resi 81 and name HN and segid "b") )((resi 81 and name HA and segid "b") ) 3.2001 1.92006 0.65
assi ((resi 42 and name HN and segid "a") )((resi 42 and name HB# and segid "a") ) 4.06744 2.44046 0.813487
assi ((resi 42 and name HN and segid "b") )((resi 42 and name HB# and segid "b") ) 4.06744 2.44046 0.813487
assi ((resi 83 and name HN and segid "a") )((resi 80 and name HA and segid "a") ) 3.75821 2.25493 0.751642
assi ((resi 83 and name HN and segid "b") )((resi 80 and name HA and segid "b") ) 3.75821 2.25493 0.751642
assi ((resi 80 and name HN and segid "a") )((resi 80 and name HA and segid "a") ) 3.24051 1.9443 0.65
assi ((resi 80 and name HN and segid "b") )((resi 80 and name HA and segid "b") ) 3.24051 1.9443 0.65
assi ((resi 69 and name HN and segid "a") )((resi 69 and name HB2 and segid "a") ) 3.49661 2.09796 0.699321
assi ((resi 69 and name HN and segid "b") )((resi 69 and name HB2 and segid "b") ) 3.49661 2.09796 0.699321
assi ((resi 70 and name HN and segid "a") )((resi 69 and name HB1 and segid "a") ) 2.88471 1.73082 1.05
assi ((resi 70 and name HN and segid "b") )((resi 69 and name HB1 and segid "b") ) 2.88471 1.73082 1.05
assi ((resi 9 and name HN and segid "a") )((resi 8 and name HA and segid "a") ) 3.92091 2.35255 0.784183
assi ((resi 9 and name HN and segid "b") )((resi 8 and name HA and segid "b") ) 3.92091 2.35255 0.784183
assi ((resi 8 and name HN and segid "a") )((resi 8 and name HA and segid "a") ) 2.58776 1.55266 0.65
assi ((resi 8 and name HN and segid "b") )((resi 8 and name HA and segid "b") ) 2.58776 1.55266 0.65
assi ((resi 33 and name HN and segid "a") )((resi 33 and name HA and segid "a") ) 3.1791 1.90746 0.65
assi ((resi 33 and name HN and segid "b") )((resi 33 and name HA and segid "b") ) 3.1791 1.90746 0.65
assi ((resi 14 and name HN and segid "a") )((resi 14 and name HA and segid "a") ) 2.90334 1.742 0.65
assi ((resi 14 and name HN and segid "b") )((resi 14 and name HA and segid "b") ) 2.90334 1.742 0.65
assi ((resi 34 and name HN and segid "a") )((resi 33 and name HA and segid "a") ) 3.61706 2.17023 0.723411
assi ((resi 34 and name HN and segid "b") )((resi 33 and name HA and segid "b") ) 3.61706 2.17023 0.723411
assi ((resi 72 and name HN and segid "a") )((resi 71 and name HA and segid "a") ) 3.43254 2.05953 0.686509
assi ((resi 72 and name HN and segid "b") )((resi 71 and name HA and segid "b") ) 3.43254 2.05953 0.686509
assi ((resi 35 and name HN and segid "a") )((resi 35 and name HA and segid "a") ) 3.1493 1.88958 0.65
assi ((resi 35 and name HN and segid "b") )((resi 35 and name HA and segid "b") ) 3.1493 1.88958 0.65
assi ((resi 71 and name HN and segid "a") )((resi 71 and name HA and segid "a") ) 2.54311 1.52587 0.65
assi ((resi 71 and name HN and segid "b") )((resi 71 and name HA and segid "b") ) 2.54311 1.52587 0.65
assi ((resi 38 and name HN and segid "a") )((resi 35 and name HA and segid "a") ) 4.07352 2.44411 0.814705
assi ((resi 38 and name HN and segid "b") )((resi 35 and name HA and segid "b") ) 4.07352 2.44411 0.814705
assi ((resi 44 and name HN and segid "a") )((resi 43 and name HB# and segid "a") ) 3.31417 1.9885 0.662834
assi ((resi 44 and name HN and segid "b") )((resi 43 and name HB# and segid "b") ) 3.31417 1.9885 0.662834
assi ((resi 6 and name HN and segid "a") )((resi 4 and name HA and segid "a") ) 4.82016 2.8921 0.964032
assi ((resi 6 and name HN and segid "b") )((resi 4 and name HA and segid "b") ) 4.82016 2.8921 0.964032
assi ((resi 4 and name HN and segid "a") )((resi 4 and name HA and segid "a") ) 3.49769 2.09861 0.699538
assi ((resi 4 and name HN and segid "b") )((resi 4 and name HA and segid "b") ) 3.49769 2.09861 0.699538
assi ((resi 7 and name HN and segid "a") )((resi 4 and name HA and segid "a") ) 3.80749 2.28449 0.761498
assi ((resi 7 and name HN and segid "b") )((resi 4 and name HA and segid "b") ) 3.80749 2.28449 0.761498
assi ((resi 57 and name HN and segid "a") )((resi 53 and name HA and segid "a") ) 3.59004 2.15403 0.718009
assi ((resi 57 and name HN and segid "b") )((resi 53 and name HA and segid "b") ) 3.59004 2.15403 0.718009
assi ((resi 42 and name HN and segid "a") )((resi 42 and name HB# and segid "a") ) 3.57379 2.14427 0.714757
assi ((resi 42 and name HN and segid "b") )((resi 42 and name HB# and segid "b") ) 3.57379 2.14427 0.714757
assi ((resi 55 and name HN and segid "a") )((resi 53 and name HA and segid "a") ) 4.51501 2.70901 0.903002
assi ((resi 55 and name HN and segid "b") )((resi 53 and name HA and segid "b") ) 4.51501 2.70901 0.903002
assi ((resi 54 and name HN and segid "a") )((resi 53 and name HA and segid "a") ) 3.88933 2.3336 0.777866
assi ((resi 54 and name HN and segid "b") )((resi 53 and name HA and segid "b") ) 3.88933 2.3336 0.777866
assi ((resi 53 and name HN and segid "a") )((resi 53 and name HA and segid "a") ) 3.22538 1.93523 0.65
assi ((resi 53 and name HN and segid "b") )((resi 53 and name HA and segid "b") ) 3.22538 1.93523 0.65
assi ((resi 83 and name HN and segid "a") )((resi 82 and name HA and segid "a") ) 4.02292 2.41375 0.804584
assi ((resi 83 and name HN and segid "b") )((resi 82 and name HA and segid "b") ) 4.02292 2.41375 0.804584
assi ((resi 82 and name HN and segid "a") )((resi 82 and name HA and segid "a") ) 3.56857 2.14114 0.713714
assi ((resi 82 and name HN and segid "b") )((resi 82 and name HA and segid "b") ) 3.56857 2.14114 0.713714
assi ((resi 89 and name HN and segid "a") )((resi 88 and name HB# and segid "a") ) 4.20747 2.52448 0.841494
assi ((resi 89 and name HN and segid "b") )((resi 88 and name HB# and segid "b") ) 4.20747 2.52448 0.841494
assi ((resi 88 and name HN and segid "a") )((resi 88 and name HB# and segid "a") ) 2.94922 1.76953 0.65
assi ((resi 88 and name HN and segid "b") )((resi 88 and name HB# and segid "b") ) 2.94922 1.76953 0.65
assi ((resi 26 and name HN and segid "a") )((resi 25 and name HB# and segid "a") ) 4.4303 2.65818 0.886059
assi ((resi 26 and name HN and segid "b") )((resi 25 and name HB# and segid "b") ) 4.4303 2.65818 0.886059
assi ((resi 25 and name HN and segid "a") )((resi 25 and name HB# and segid "a") ) 3.40688 2.04413 0.681377
assi ((resi 25 and name HN and segid "b") )((resi 25 and name HB# and segid "b") ) 3.40688 2.04413 0.681377
assi ((resi 80 and name HN and segid "a") )((resi 77 and name HA and segid "a") ) 3.70303 2.22182 0.740605
assi ((resi 80 and name HN and segid "b") )((resi 77 and name HA and segid "b") ) 3.70303 2.22182 0.740605
assi ((resi 78 and name HN and segid "a") )((resi 77 and name HA and segid "a") ) 3.36285 2.01771 0.67257
assi ((resi 78 and name HN and segid "b") )((resi 77 and name HA and segid "b") ) 3.36285 2.01771 0.67257
assi ((resi 37 and name HN and segid "a") )((resi 36 and name HA and segid "a") ) 3.17622 1.90573 0.65
assi ((resi 37 and name HN and segid "b") )((resi 36 and name HA and segid "b") ) 3.17622 1.90573 0.65
assi ((resi 74 and name HN and segid "a") )((resi 74 and name HA and segid "a") ) 2.69121 1.61473 0.65
assi ((resi 74 and name HN and segid "b") )((resi 74 and name HA and segid "b") ) 2.69121 1.61473 0.65
assi ((resi 14 and name HN and segid "a") )((resi 14 and name HB2 and segid "a") ) 2.51575 1.50945 0.65
assi ((resi 14 and name HN and segid "b") )((resi 14 and name HB2 and segid "b") ) 2.51575 1.50945 0.65
assi ((resi 20 and name HN and segid "a") )((resi 20 and name HD# and segid "a") ) 4.21799 2.5308 0.843599
assi ((resi 20 and name HN and segid "b") )((resi 20 and name HD# and segid "b") ) 4.21799 2.5308 0.843599
assi ((resi 38 and name HN and segid "a") )((resi 38 and name HB# and segid "a") ) 2.90679 1.74408 0.65
assi ((resi 38 and name HN and segid "b") )((resi 38 and name HB# and segid "b") ) 2.90679 1.74408 0.65
assi ((resi 76 and name HN and segid "a") )((resi 76 and name HB# and segid "a") ) 2.65236 1.59142 0.65
assi ((resi 76 and name HN and segid "b") )((resi 76 and name HB# and segid "b") ) 2.65236 1.59142 0.65
assi ((resi 39 and name HN and segid "a") )((resi 38 and name HB# and segid "a") ) 3.17286 1.90372 0.65
assi ((resi 39 and name HN and segid "b") )((resi 38 and name HB# and segid "b") ) 3.17286 1.90372 0.65
assi ((resi 68 and name HN and segid "a") )((resi 68 and name HB# and segid "a") ) 3.59531 2.15719 0.719062
assi ((resi 68 and name HN and segid "b") )((resi 68 and name HB# and segid "b") ) 3.59531 2.15719 0.719062
assi ((resi 28 and name HN and segid "a") )((resi 28 and name HE# and segid "a") ) 5.17663 3.10598 1.03533
assi ((resi 28 and name HN and segid "b") )((resi 28 and name HE# and segid "b") ) 5.17663 3.10598 1.03533
assi ((resi 89 and name HN and segid "a") )((resi 88 and name HB# and segid "a") ) 3.41807 2.05084 0.683613
assi ((resi 89 and name HN and segid "b") )((resi 88 and name HB# and segid "b") ) 3.41807 2.05084 0.683613
assi ((resi 88 and name HN and segid "a") )((resi 88 and name HB# and segid "a") ) 2.93788 1.76273 0.65
assi ((resi 88 and name HN and segid "b") )((resi 88 and name HB# and segid "b") ) 2.93788 1.76273 0.65
assi ((resi 84 and name HN and segid "a") )((resi 84 and name HB# and segid "a") ) 3.54305 2.12583 0.70861
assi ((resi 84 and name HN and segid "b") )((resi 84 and name HB# and segid "b") ) 3.54305 2.12583 0.70861
assi ((resi 57 and name HN and segid "a") )((resi 57 and name HG# and segid "a") ) 2.96397 1.77838 0.65
assi ((resi 57 and name HN and segid "b") )((resi 57 and name HG# and segid "b") ) 2.96397 1.77838 0.65
assi ((resi 65 and name HN and segid "a") )((resi 65 and name HB# and segid "a") ) 3.31365 1.98819 0.662729
assi ((resi 65 and name HN and segid "b") )((resi 65 and name HB# and segid "b") ) 3.31365 1.98819 0.662729
assi ((resi 76 and name HN and segid "a") )((resi 76 and name HB# and segid "a") ) 3.13184 1.87911 0.65
assi ((resi 76 and name HN and segid "b") )((resi 76 and name HB# and segid "b") ) 3.13184 1.87911 0.65
assi ((resi 66 and name HN and segid "a") )((resi 65 and name HB# and segid "a") ) 4.4962 2.69772 0.89924
assi ((resi 66 and name HN and segid "b") )((resi 65 and name HB# and segid "b") ) 4.4962 2.69772 0.89924
assi ((resi 39 and name HN and segid "a") )((resi 38 and name HB# and segid "a") ) 2.84035 1.70421 0.65
assi ((resi 39 and name HN and segid "b") )((resi 38 and name HB# and segid "b") ) 2.84035 1.70421 0.65
assi ((resi 38 and name HD2# and segid "a") )((resi 38 and name HB# and segid "a") ) 3.66621 2.19972 0.733241
assi ((resi 38 and name HD2# and segid "b") )((resi 38 and name HB# and segid "b") ) 3.66621 2.19972 0.733241
assi ((resi 38 and name HD2# and segid "a") )((resi 38 and name HB# and segid "a") ) 3.37677 2.02606 0.675353
assi ((resi 38 and name HD2# and segid "b") )((resi 38 and name HB# and segid "b") ) 3.37677 2.02606 0.675353
assi ((resi 38 and name HN and segid "a") )((resi 38 and name HB# and segid "a") ) 2.85778 1.71467 0.65
assi ((resi 38 and name HN and segid "b") )((resi 38 and name HB# and segid "b") ) 2.85778 1.71467 0.65
assi ((resi 69 and name HN and segid "a") )((resi 69 and name HB1 and segid "a") ) 3.02086 1.81252 0.65
assi ((resi 69 and name HN and segid "b") )((resi 69 and name HB1 and segid "b") ) 3.02086 1.81252 0.65
assi ((resi 68 and name HN and segid "a") )((resi 68 and name HB# and segid "a") ) 3.25554 1.95332 0.651108
assi ((resi 68 and name HN and segid "b") )((resi 68 and name HB# and segid "b") ) 3.25554 1.95332 0.651108
assi ((resi 70 and name HN and segid "a") )((resi 69 and name HB2 and segid "a") ) 2.98124 1.78875 0.75
assi ((resi 70 and name HN and segid "b") )((resi 69 and name HB2 and segid "b") ) 2.98124 1.78875 0.75
assi ((resi 37 and name HN and segid "a") )((resi 37 and name HB# and segid "a") ) 2.69421 1.61653 0.75
assi ((resi 37 and name HN and segid "b") )((resi 37 and name HB# and segid "b") ) 2.69421 1.61653 0.75
assi ((resi 23 and name HN and segid "a") )((resi 23 and name HB# and segid "a") ) 3.06728 1.84037 0.65
assi ((resi 23 and name HN and segid "b") )((resi 23 and name HB# and segid "b") ) 3.06728 1.84037 0.65
assi ((resi 55 and name HN and segid "a") )((resi 54 and name HB# and segid "a") ) 2.77269 1.66361 0.65
assi ((resi 55 and name HN and segid "b") )((resi 54 and name HB# and segid "b") ) 2.77269 1.66361 0.65
assi ((resi 54 and name HN and segid "a") )((resi 54 and name HB# and segid "a") ) 2.59967 1.5598 0.95
assi ((resi 54 and name HN and segid "b") )((resi 54 and name HB# and segid "b") ) 2.59967 1.5598 0.95
assi ((resi 61 and name HN and segid "a") )((resi 61 and name HB# and segid "a") ) 2.54131 1.52478 0.65
assi ((resi 61 and name HN and segid "b") )((resi 61 and name HB# and segid "b") ) 2.54131 1.52478 0.65
assi ((resi 17 and name HN and segid "a") )((resi 17 and name HB# and segid "a") ) 2.71198 1.62719 0.65
assi ((resi 17 and name HN and segid "b") )((resi 17 and name HB# and segid "b") ) 2.71198 1.62719 0.65
assi ((resi 62 and name HN and segid "a") )((resi 61 and name HB# and segid "a") ) 3.03365 1.82019 0.65
assi ((resi 62 and name HN and segid "b") )((resi 61 and name HB# and segid "b") ) 3.03365 1.82019 0.65
assi ((resi 10 and name HN and segid "a") )((resi 10 and name HB2 and segid "a") ) 2.43677 1.46206 0.85
assi ((resi 10 and name HN and segid "b") )((resi 10 and name HB2 and segid "b") ) 2.43677 1.46206 0.85
assi ((resi 65 and name HN and segid "a") )((resi 65 and name HB# and segid "a") ) 2.87037 1.72222 0.65
assi ((resi 65 and name HN and segid "b") )((resi 65 and name HB# and segid "b") ) 2.87037 1.72222 0.65
assi ((resi 29 and name HN and segid "a") )((resi 29 and name HE# and segid "a") ) 5.69708 3.41825 1.13942
assi ((resi 29 and name HN and segid "b") )((resi 29 and name HE# and segid "b") ) 5.69708 3.41825 1.13942
assi ((resi 66 and name HN and segid "a") )((resi 65 and name HB# and segid "a") ) 4.17992 2.50795 0.835985
assi ((resi 66 and name HN and segid "b") )((resi 65 and name HB# and segid "b") ) 4.17992 2.50795 0.835985
assi ((resi 31 and name HN and segid "a") )((resi 31 and name HB1 and segid "a") ) 2.99676 1.79806 0.65
assi ((resi 31 and name HN and segid "b") )((resi 31 and name HB1 and segid "b") ) 2.99676 1.79806 0.65
assi ((resi 63 and name HN and segid "a") )((resi 63 and name HB# and segid "a") ) 2.93504 1.76102 0.65
assi ((resi 63 and name HN and segid "b") )((resi 63 and name HB# and segid "b") ) 2.93504 1.76102 0.65
assi ((resi 64 and name HN and segid "a") )((resi 63 and name HB# and segid "a") ) 3.811 2.2866 0.762199
assi ((resi 64 and name HN and segid "b") )((resi 63 and name HB# and segid "b") ) 3.811 2.2866 0.762199
assi ((resi 16 and name HN and segid "a") )((resi 16 and name HB# and segid "a") ) 2.14811 1.28887 0.65
assi ((resi 16 and name HN and segid "b") )((resi 16 and name HB# and segid "b") ) 2.14811 1.28887 0.65
assi ((resi 17 and name HN and segid "a") )((resi 16 and name HB# and segid "a") ) 3.32176 1.99306 0.664352
assi ((resi 17 and name HN and segid "b") )((resi 16 and name HB# and segid "b") ) 3.32176 1.99306 0.664352
assi ((resi 40 and name HN and segid "a") )((resi 39 and name HB# and segid "a") ) 4.00384 2.40231 0.800769
assi ((resi 40 and name HN and segid "b") )((resi 39 and name HB# and segid "b") ) 4.00384 2.40231 0.800769
assi ((resi 80 and name HN and segid "a") )((resi 79 and name HG# and segid "a") ) 5.98528 3.59117 1.19706
assi ((resi 80 and name HN and segid "b") )((resi 79 and name HG# and segid "b") ) 5.98528 3.59117 1.19706
assi ((resi 50 and name HN and segid "a") )((resi 50 and name HG# and segid "a") ) 2.9542 1.77252 0.65
assi ((resi 50 and name HN and segid "b") )((resi 50 and name HG# and segid "b") ) 2.9542 1.77252 0.65
assi ((resi 31 and name HN and segid "a") )((resi 31 and name HB2 and segid "a") ) 2.74756 1.64853 0.65
assi ((resi 31 and name HN and segid "b") )((resi 31 and name HB2 and segid "b") ) 2.74756 1.64853 0.65
assi ((resi 68 and name HN and segid "a") )((resi 67 and name HB1 and segid "a") ) 4.08598 2.45159 0.817196
assi ((resi 68 and name HN and segid "b") )((resi 67 and name HB1 and segid "b") ) 4.08598 2.45159 0.817196
assi ((resi 7 and name HN and segid "a") )((resi 7 and name HB and segid "a") ) 2.65478 1.59287 0.95
assi ((resi 7 and name HN and segid "b") )((resi 7 and name HB and segid "b") ) 2.65478 1.59287 0.95
!assi ((resi 51 and name HN and segid "a") )((resi 51 and name HG# and segid "a") ) 2.9067 1.74402 1.00
!assi ((resi 51 and name HN and segid "b") )((resi 51 and name HG# and segid "b") ) 2.9067 1.74402 1.00
assi ((resi 72 and name HN and segid "a") )((resi 72 and name HB# and segid "a") ) 2.43946 1.46367 0.65
assi ((resi 72 and name HN and segid "b") )((resi 72 and name HB# and segid "b") ) 2.43946 1.46367 0.65
assi ((resi 56 and name HN and segid "a") )((resi 56 and name HB and segid "a") ) 2.41892 1.45135 0.65
assi ((resi 56 and name HN and segid "b") )((resi 56 and name HB and segid "b") ) 2.41892 1.45135 0.65
assi ((resi 73 and name HN and segid "a") )((resi 72 and name HB2 and segid "a") ) 1.95679 1.17407 0.65
assi ((resi 73 and name HN and segid "b") )((resi 72 and name HB2 and segid "b") ) 1.95679 1.17407 0.65
!Changed the above to HB2
assi ((resi 57 and name HN and segid "a") )((resi 57 and name HB# and segid "a") ) 2.4964 1.49784 0.70
assi ((resi 57 and name HN and segid "b") )((resi 57 and name HB# and segid "b") ) 2.4964 1.49784 0.70
assi ((resi 30 and name HN and segid "a") )((resi 29 and name HB# and segid "a") ) 3.06529 1.83918 0.65
assi ((resi 30 and name HN and segid "b") )((resi 29 and name HB# and segid "b") ) 3.06529 1.83918 0.65
assi ((resi 4 and name HN and segid "a") )((resi 4 and name HB2 and segid "a") ) 3.08666 1.852 0.65
assi ((resi 4 and name HN and segid "b") )((resi 4 and name HB2 and segid "b") ) 3.08666 1.852 0.65
assi ((resi 34 and name HN and segid "a") )((resi 34 and name HB# and segid "a") ) 2.24464 1.34679 0.65
assi ((resi 34 and name HN and segid "b") )((resi 34 and name HB# and segid "b") ) 2.24464 1.34679 0.65
assi ((resi 9 and name HN and segid "a") )((resi 8 and name HB and segid "a") ) 3.11538 1.86923 0.65
assi ((resi 9 and name HN and segid "b") )((resi 8 and name HB and segid "b") ) 3.11538 1.86923 0.65
assi ((resi 8 and name HN and segid "a") )((resi 8 and name HB and segid "a") ) 2.25746 1.35448 0.65
assi ((resi 8 and name HN and segid "b") )((resi 8 and name HB and segid "b") ) 2.25746 1.35448 0.65
assi ((resi 13 and name HN and segid "a") )((resi 13 and name HB and segid "a") ) 2.50116 1.5007 0.65
assi ((resi 13 and name HN and segid "b") )((resi 13 and name HB and segid "b") ) 2.50116 1.5007 0.65
assi ((resi 14 and name HN and segid "a") )((resi 13 and name HB and segid "a") ) 2.67805 1.60683 0.65
assi ((resi 14 and name HN and segid "b") )((resi 13 and name HB and segid "b") ) 2.67805 1.60683 0.65
assi ((resi 46 and name HN and segid "a") )((resi 45 and name HB# and segid "a") ) 2.68274 1.60964 0.65
assi ((resi 46 and name HN and segid "b") )((resi 45 and name HB# and segid "b") ) 2.68274 1.60964 0.65
assi ((resi 45 and name HN and segid "a") )((resi 45 and name HB# and segid "a") ) 2.51333 1.508 0.65
assi ((resi 45 and name HN and segid "b") )((resi 45 and name HB# and segid "b") ) 2.51333 1.508 0.65
assi ((resi 71 and name HE2# and segid "a") )((resi 71 and name HG# and segid "a") ) 3.73366 2.2402 0.746732
assi ((resi 71 and name HE2# and segid "b") )((resi 71 and name HG# and segid "b") ) 3.73366 2.2402 0.746732
assi ((resi 71 and name HE2# and segid "a") )((resi 71 and name HG# and segid "a") ) 4.12559 2.47535 0.825118
assi ((resi 71 and name HE2# and segid "b") )((resi 71 and name HG# and segid "b") ) 4.12559 2.47535 0.825118
assi ((resi 91 and name HN and segid "a") )((resi 91 and name HB# and segid "a") ) 3.89201 2.33521 0.778402
assi ((resi 91 and name HN and segid "b") )((resi 91 and name HB# and segid "b") ) 3.89201 2.33521 0.778402
assi ((resi 49 and name HN and segid "a") )((resi 49 and name HB# and segid "a") ) 2.81704 1.69022 0.65
assi ((resi 49 and name HN and segid "b") )((resi 49 and name HB# and segid "b") ) 2.81704 1.69022 0.65
assi ((resi 89 and name HN and segid "a") )((resi 89 and name HB# and segid "a") ) 3.09184 1.8551 0.65
assi ((resi 89 and name HN and segid "b") )((resi 89 and name HB# and segid "b") ) 3.09184 1.8551 0.65
assi ((resi 79 and name HN and segid "a") )((resi 79 and name HB# and segid "a") ) 2.29127 1.37476 0.65
assi ((resi 79 and name HN and segid "b") )((resi 79 and name HB# and segid "b") ) 2.29127 1.37476 0.65
assi ((resi 21 and name HN and segid "a") )((resi 21 and name HB# and segid "a") ) 2.80442 1.68265 0.65
assi ((resi 21 and name HN and segid "b") )((resi 21 and name HB# and segid "b") ) 2.80442 1.68265 0.65
assi ((resi 17 and name HN and segid "a") )((resi 16 and name HB# and segid "a") ) 3.46598 2.07959 0.693196
assi ((resi 17 and name HN and segid "b") )((resi 16 and name HB# and segid "b") ) 3.46598 2.07959 0.693196
assi ((resi 50 and name HN and segid "a") )((resi 50 and name HB# and segid "a") ) 2.59852 1.55911 0.65
assi ((resi 50 and name HN and segid "b") )((resi 50 and name HB# and segid "b") ) 2.59852 1.55911 0.65
assi ((resi 54 and name HN and segid "a") )((resi 53 and name HB and segid "a") ) 2.81615 1.68969 0.65
assi ((resi 54 and name HN and segid "b") )((resi 53 and name HB and segid "b") ) 2.81615 1.68969 0.65
assi ((resi 58 and name HN and segid "a") )((resi 58 and name HB# and segid "a") ) 2.10252 1.26151 0.65
assi ((resi 58 and name HN and segid "b") )((resi 58 and name HB# and segid "b") ) 2.10252 1.26151 0.65
assi ((resi 22 and name HN and segid "a") )((resi 21 and name HB# and segid "a") ) 3.14089 1.88453 0.65
assi ((resi 22 and name HN and segid "b") )((resi 21 and name HB# and segid "b") ) 3.14089 1.88453 0.65
assi ((resi 32 and name HN and segid "a") )((resi 32 and name HB# and segid "a") ) 2.19192 1.31515 0.65
assi ((resi 32 and name HN and segid "b") )((resi 32 and name HB# and segid "b") ) 2.19192 1.31515 0.65
assi ((resi 50 and name HE2# and segid "a") )((resi 50 and name HB# and segid "a") ) 3.18038 1.90823 0.65
assi ((resi 50 and name HE2# and segid "b") )((resi 50 and name HB# and segid "b") ) 3.18038 1.90823 0.65
assi ((resi 50 and name HE2# and segid "a") )((resi 50 and name HB# and segid "a") ) 4.04871 2.42923 0.809743
assi ((resi 50 and name HE2# and segid "b") )((resi 50 and name HB# and segid "b") ) 4.04871 2.42923 0.809743
assi ((resi 16 and name HE2# and segid "a") )((resi 16 and name HB# and segid "a") ) 3.08224 1.84934 0.65
assi ((resi 16 and name HE2# and segid "b") )((resi 16 and name HB# and segid "b") ) 3.08224 1.84934 0.65
assi ((resi 2 and name HN and segid "a") )((resi 2 and name HB# and segid "a") ) 2.94411 1.76647 0.65
assi ((resi 2 and name HN and segid "b") )((resi 2 and name HB# and segid "b") ) 2.94411 1.76647 0.65
assi ((resi 2 and name HN and segid "a") )((resi 2 and name HB# and segid "a") ) 3.04734 1.82841 0.65
assi ((resi 2 and name HN and segid "b") )((resi 2 and name HB# and segid "b") ) 3.04734 1.82841 0.65
assi ((resi 10 and name HN and segid "a") )((resi 10 and name HG and segid "a") ) 2.73973 1.64384 0.65
assi ((resi 10 and name HN and segid "b") )((resi 10 and name HG and segid "b") ) 2.73973 1.64384 0.65
assi ((resi 52 and name HN and segid "a") )((resi 52 and name HB and segid "a") ) 2.3977 1.43862 0.65
assi ((resi 52 and name HN and segid "b") )((resi 52 and name HB and segid "b") ) 2.3977 1.43862 0.65
assi ((resi 30 and name HN and segid "a") )((resi 29 and name HB# and segid "a") ) 2.85819 1.71491 0.65
assi ((resi 30 and name HN and segid "b") )((resi 29 and name HB# and segid "b") ) 2.85819 1.71491 0.65
assi ((resi 31 and name HN and segid "a") )((resi 31 and name HG# and segid "a") ) 3.24482 1.94689 0.65
assi ((resi 31 and name HN and segid "b") )((resi 31 and name HG# and segid "b") ) 3.24482 1.94689 0.65
assi ((resi 80 and name HN and segid "a") )((resi 80 and name HB and segid "a") ) 2.37 1.422 0.65
assi ((resi 80 and name HN and segid "b") )((resi 80 and name HB and segid "b") ) 2.37 1.422 0.65
assi ((resi 51 and name HN and segid "a") )((resi 51 and name HB# and segid "a") ) 2.29508 1.37705 0.65
assi ((resi 51 and name HN and segid "b") )((resi 51 and name HB# and segid "b") ) 2.29508 1.37705 0.65
assi ((resi 81 and name HN and segid "a") )((resi 80 and name HB and segid "a") ) 3.25996 1.95598 0.651992
assi ((resi 81 and name HN and segid "b") )((resi 80 and name HB and segid "b") ) 3.25996 1.95598 0.651992
assi ((resi 41 and name HN and segid "a") )((resi 40 and name HB# and segid "a") ) 4.58802 2.75281 0.917604
assi ((resi 41 and name HN and segid "b") )((resi 40 and name HB# and segid "b") ) 4.58802 2.75281 0.917604
assi ((resi 56 and name HN and segid "a") )((resi 55 and name HB# and segid "a") ) 2.54147 1.52488 0.65
assi ((resi 56 and name HN and segid "b") )((resi 55 and name HB# and segid "b") ) 2.54147 1.52488 0.65
assi ((resi 55 and name HN and segid "a") )((resi 55 and name HB# and segid "a") ) 2.38689 1.43213 0.65
assi ((resi 55 and name HN and segid "b") )((resi 55 and name HB# and segid "b") ) 2.38689 1.43213 0.65
assi ((resi 46 and name HN and segid "a") )((resi 46 and name HB# and segid "a") ) 2.44957 1.46974 0.65
assi ((resi 46 and name HN and segid "b") )((resi 46 and name HB# and segid "b") ) 2.44957 1.46974 0.65
assi ((resi 50 and name HN and segid "a") )((resi 50 and name HB# and segid "a") ) 2.81416 1.68849 0.65
assi ((resi 50 and name HN and segid "b") )((resi 50 and name HB# and segid "b") ) 2.81416 1.68849 0.65
assi ((resi 33 and name HN and segid "a") )((resi 33 and name HB# and segid "a") ) 2.50159 1.50095 0.65
assi ((resi 33 and name HN and segid "b") )((resi 33 and name HB# and segid "b") ) 2.50159 1.50095 0.65
assi ((resi 49 and name HN and segid "a") )((resi 49 and name HB# and segid "a") ) 3.11221 1.86732 0.65
assi ((resi 49 and name HN and segid "b") )((resi 49 and name HB# and segid "b") ) 3.11221 1.86732 0.65
assi ((resi 67 and name HN and segid "a") )((resi 67 and name HB2 and segid "a") ) 2.69557 1.61734 0.65
assi ((resi 67 and name HN and segid "b") )((resi 67 and name HB2 and segid "b") ) 2.69557 1.61734 0.65
assi ((resi 34 and name HN and segid "a") )((resi 33 and name HB# and segid "a") ) 3.28286 1.96971 0.656571
assi ((resi 34 and name HN and segid "b") )((resi 33 and name HB# and segid "b") ) 3.28286 1.96971 0.656571
assi ((resi 79 and name HN and segid "a") )((resi 79 and name HB# and segid "a") ) 3.13361 1.88017 0.65
assi ((resi 79 and name HN and segid "b") )((resi 79 and name HB# and segid "b") ) 3.13361 1.88017 0.65
assi ((resi 5 and name HN and segid "a") )((resi 5 and name HB# and segid "a") ) 2.39628 1.43777 0.65
assi ((resi 5 and name HN and segid "b") )((resi 5 and name HB# and segid "b") ) 2.39628 1.43777 0.65
assi ((resi 91 and name HN and segid "a") )((resi 91 and name HB# and segid "a") ) 3.16873 1.90124 0.65
assi ((resi 91 and name HN and segid "b") )((resi 91 and name HB# and segid "b") ) 3.16873 1.90124 0.65
assi ((resi 3 and name HN and segid "a") )((resi 3 and name HB# and segid "a") ) 2.61194 1.56716 0.65
assi ((resi 3 and name HN and segid "b") )((resi 3 and name HB# and segid "b") ) 2.61194 1.56716 0.65
assi ((resi 21 and name HN and segid "a") )((resi 21 and name HB# and segid "a") ) 2.9618 1.77708 0.65
assi ((resi 21 and name HN and segid "b") )((resi 21 and name HB# and segid "b") ) 2.9618 1.77708 0.65
assi ((resi 20 and name HN and segid "a") )((resi 20 and name HB# and segid "a") ) 2.5422 1.52532 0.65
assi ((resi 20 and name HN and segid "b") )((resi 20 and name HB# and segid "b") ) 2.5422 1.52532 0.65
assi ((resi 47 and name HN and segid "a") )((resi 47 and name HB and segid "a") ) 2.56538 1.53923 0.65
assi ((resi 47 and name HN and segid "b") )((resi 47 and name HB and segid "b") ) 2.56538 1.53923 0.65
assi ((resi 89 and name HN and segid "a") )((resi 89 and name HB# and segid "a") ) 3.00192 1.80115 0.65
assi ((resi 89 and name HN and segid "b") )((resi 89 and name HB# and segid "b") ) 3.00192 1.80115 0.65
assi ((resi 40 and name HN and segid "a") )((resi 40 and name HB# and segid "a") ) 3.40697 2.04418 0.681394
assi ((resi 40 and name HN and segid "b") )((resi 40 and name HB# and segid "b") ) 3.40697 2.04418 0.681394
assi ((resi 41 and name HN and segid "a") )((resi 40 and name HB# and segid "a") ) 3.9194 2.35164 0.78388
assi ((resi 41 and name HN and segid "b") )((resi 40 and name HB# and segid "b") ) 3.9194 2.35164 0.78388
assi ((resi 48 and name HN and segid "a") )((resi 48 and name HB# and segid "a") ) 3.41822 2.05093 0.683643
assi ((resi 48 and name HN and segid "b") )((resi 48 and name HB# and segid "b") ) 3.41822 2.05093 0.683643
assi ((resi 29 and name HN and segid "a") )((resi 29 and name HD# and segid "a") ) 3.29593 1.97756 0.659185
assi ((resi 29 and name HN and segid "b") )((resi 29 and name HD# and segid "b") ) 3.29593 1.97756 0.659185
assi ((resi 45 and name HN and segid "a") )((resi 44 and name HB2 and segid "a") ) 3.41245 2.04747 0.682491
assi ((resi 45 and name HN and segid "b") )((resi 44 and name HB2 and segid "b") ) 3.41245 2.04747 0.682491
assi ((resi 37 and name HN and segid "a") )((resi 36 and name HB and segid "a") ) 2.86894 1.72136 0.65
assi ((resi 37 and name HN and segid "b") )((resi 36 and name HB and segid "b") ) 2.86894 1.72136 0.65
assi ((resi 44 and name HN and segid "a") )((resi 44 and name HB2 and segid "a") ) 2.54425 1.52655 0.65
assi ((resi 44 and name HN and segid "b") )((resi 44 and name HB2 and segid "b") ) 2.54425 1.52655 0.65
assi ((resi 6 and name HN and segid "a") )((resi 6 and name HB# and segid "a") ) 2.57871 1.54723 0.65
assi ((resi 6 and name HN and segid "b") )((resi 6 and name HB# and segid "b") ) 2.57871 1.54723 0.65
assi ((resi 60 and name HN and segid "a") )((resi 60 and name HB# and segid "a") ) 2.4694 1.48164 0.65
assi ((resi 60 and name HN and segid "b") )((resi 60 and name HB# and segid "b") ) 2.4694 1.48164 0.65
assi ((resi 7 and name HN and segid "a") )((resi 6 and name HB# and segid "a") ) 3.43959 2.06375 0.687918
assi ((resi 7 and name HN and segid "b") )((resi 6 and name HB# and segid "b") ) 3.43959 2.06375 0.687918
assi ((resi 39 and name HN and segid "a") )((resi 39 and name HB# and segid "a") ) 2.91726 1.75036 0.65
assi ((resi 39 and name HN and segid "b") )((resi 39 and name HB# and segid "b") ) 2.91726 1.75036 0.65
assi ((resi 78 and name HN and segid "a") )((resi 77 and name HB and segid "a") ) 2.74707 1.64824 0.75
assi ((resi 78 and name HN and segid "b") )((resi 77 and name HB and segid "b") ) 2.74707 1.64824 0.75
assi ((resi 77 and name HN and segid "a") )((resi 77 and name HB and segid "a") ) 2.58676 1.55206 0.65
assi ((resi 77 and name HN and segid "b") )((resi 77 and name HB and segid "b") ) 2.58676 1.55206 0.65
assi ((resi 28 and name HN and segid "a") )((resi 28 and name HB# and segid "a") ) 2.66117 1.5967 0.65
assi ((resi 28 and name HN and segid "b") )((resi 28 and name HB# and segid "b") ) 2.66117 1.5967 0.65
assi ((resi 9 and name HN and segid "a") )((resi 9 and name HB# and segid "a") ) 2.92267 1.7536 0.65
assi ((resi 9 and name HN and segid "b") )((resi 9 and name HB# and segid "b") ) 2.92267 1.7536 0.65
assi ((resi 33 and name HN and segid "a") )((resi 33 and name HB# and segid "a") ) 3.68796 2.21277 0.737592
assi ((resi 33 and name HN and segid "b") )((resi 33 and name HB# and segid "b") ) 3.68796 2.21277 0.737592
assi ((resi 5 and name HN and segid "a") )((resi 5 and name HG# and segid "a") ) 3.46052 2.07631 0.692104
assi ((resi 5 and name HN and segid "b") )((resi 5 and name HG# and segid "b") ) 3.46052 2.07631 0.692104
assi ((resi 35 and name HN and segid "a") )((resi 35 and name HB# and segid "a") ) 2.70773 1.62464 0.65
assi ((resi 35 and name HN and segid "b") )((resi 35 and name HB# and segid "b") ) 2.70773 1.62464 0.65
assi ((resi 34 and name HN and segid "a") )((resi 33 and name HB# and segid "a") ) 3.15259 1.89155 0.65
assi ((resi 34 and name HN and segid "b") )((resi 33 and name HB# and segid "b") ) 3.15259 1.89155 0.65
assi ((resi 83 and name HN and segid "a") )((resi 83 and name HB# and segid "a") ) 3.24408 1.94645 0.65
assi ((resi 83 and name HN and segid "b") )((resi 83 and name HB# and segid "b") ) 3.24408 1.94645 0.65
assi ((resi 3 and name HN and segid "a") )((resi 3 and name HG and segid "a") ) 3.52591 2.11555 0.705182
assi ((resi 3 and name HN and segid "b") )((resi 3 and name HG and segid "b") ) 3.52591 2.11555 0.705182
assi ((resi 84 and name HN and segid "a") )((resi 83 and name HB# and segid "a") ) 4.18262 2.50957 0.836523
assi ((resi 84 and name HN and segid "b") )((resi 83 and name HB# and segid "b") ) 4.18262 2.50957 0.836523
assi ((resi 20 and name HN and segid "a") )((resi 20 and name HG# and segid "a") ) 3.8717 2.32302 0.77434
assi ((resi 20 and name HN and segid "b") )((resi 20 and name HG# and segid "b") ) 3.8717 2.32302 0.77434
assi ((resi 80 and name HN and segid "a") )((resi 80 and name HG1# and segid "a") ) 2.77626 1.66576 0.65
assi ((resi 80 and name HN and segid "b") )((resi 80 and name HG1# and segid "b") ) 2.77626 1.66576 0.65
assi ((resi 81 and name HN and segid "a") )((resi 80 and name HG1# and segid "a") ) 2.89249 1.73549 0.85
assi ((resi 81 and name HN and segid "b") )((resi 80 and name HG1# and segid "b") ) 2.89249 1.73549 0.85
assi ((resi 55 and name HN and segid "a") )((resi 55 and name HG# and segid "a") ) 2.8213 1.69278 0.75
assi ((resi 55 and name HN and segid "b") )((resi 55 and name HG# and segid "b") ) 2.8213 1.69278 0.75
assi ((resi 48 and name HN and segid "a") )((resi 48 and name HD# and segid "a") ) 3.11459 1.86875 0.65
assi ((resi 48 and name HN and segid "b") )((resi 48 and name HD# and segid "b") ) 3.11459 1.86875 0.65
assi ((resi 29 and name HN and segid "a") )((resi 29 and name HG# and segid "a") ) 2.88956 1.73373 0.65
assi ((resi 29 and name HN and segid "b") )((resi 29 and name HG# and segid "b") ) 2.88956 1.73373 0.65
assi ((resi 27 and name HN and segid "a") )((resi 27 and name HB# and segid "a") ) 3.58026 2.14816 0.716052
assi ((resi 27 and name HN and segid "b") )((resi 27 and name HB# and segid "b") ) 3.58026 2.14816 0.716052
assi ((resi 40 and name HN and segid "a") )((resi 40 and name HG and segid "a") ) 3.60294 2.16176 0.720587
assi ((resi 40 and name HN and segid "b") )((resi 40 and name HG and segid "b") ) 3.60294 2.16176 0.720587
assi ((resi 41 and name HN and segid "a") )((resi 40 and name HG and segid "a") ) 4.39233 2.6354 0.878466
assi ((resi 41 and name HN and segid "b") )((resi 40 and name HG and segid "b") ) 4.39233 2.6354 0.878466
assi ((resi 79 and name HN and segid "a") )((resi 78 and name HB# and segid "a") ) 3.60055 2.16033 0.72011
assi ((resi 79 and name HN and segid "b") )((resi 78 and name HB# and segid "b") ) 3.60055 2.16033 0.72011
assi ((resi 78 and name HN and segid "a") )((resi 78 and name HB# and segid "a") ) 3.21806 1.93084 0.65
assi ((resi 78 and name HN and segid "b") )((resi 78 and name HB# and segid "b") ) 3.21806 1.93084 0.65
assi ((resi 59 and name HN and segid "a") )((resi 59 and name HG2# and segid "a") ) 3.47675 2.08605 0.89535
assi ((resi 59 and name HN and segid "b") )((resi 59 and name HG2# and segid "b") ) 3.47675 2.08605 0.89535
assi ((resi 32 and name HN and segid "a") )((resi 32 and name HB# and segid "a") ) 2.39531 1.43719 0.65
assi ((resi 32 and name HN and segid "b") )((resi 32 and name HB# and segid "b") ) 2.39531 1.43719 0.65
assi ((resi 60 and name HN and segid "a") )((resi 60 and name HB# and segid "a") ) 3.0598 1.83588 0.65
assi ((resi 60 and name HN and segid "b") )((resi 60 and name HB# and segid "b") ) 3.0598 1.83588 0.65
assi ((resi 33 and name HN and segid "a") )((resi 32 and name HB# and segid "a") ) 2.79804 1.67883 0.65
assi ((resi 33 and name HN and segid "b") )((resi 32 and name HB# and segid "b") ) 2.79804 1.67883 0.65
assi ((resi 26 and name HN and segid "a") )((resi 26 and name HG# and segid "a") ) 4.16482 2.49889 0.832964
assi ((resi 26 and name HN and segid "b") )((resi 26 and name HG# and segid "b") ) 4.16482 2.49889 0.832964
assi ((resi 61 and name HN and segid "a") )((resi 60 and name HB# and segid "a") ) 3.02985 1.81791 0.65
assi ((resi 61 and name HN and segid "b") )((resi 60 and name HB# and segid "b") ) 3.02985 1.81791 0.65
assi ((resi 75 and name HN and segid "a") )((resi 75 and name HB# and segid "a") ) 2.93777 1.76266 0.65
assi ((resi 75 and name HN and segid "b") )((resi 75 and name HB# and segid "b") ) 2.93777 1.76266 0.65
assi ((resi 76 and name HN and segid "a") )((resi 75 and name HB# and segid "a") ) 3.37978 2.02787 0.675956
assi ((resi 76 and name HN and segid "b") )((resi 75 and name HB# and segid "b") ) 3.37978 2.02787 0.675956
assi ((resi 7 and name HN and segid "a") )((resi 7 and name HG2# and segid "a") ) 4.0422 2.42532 0.80844
assi ((resi 7 and name HN and segid "b") )((resi 7 and name HG2# and segid "b") ) 4.0422 2.42532 0.80844
assi ((resi 24 and name HN and segid "a") )((resi 24 and name HD# and segid "a") ) 4.0909 2.45454 0.818181
assi ((resi 24 and name HN and segid "b") )((resi 24 and name HD# and segid "b") ) 4.0909 2.45454 0.818181
assi ((resi 56 and name HN and segid "a") )((resi 56 and name HG## and segid "a") ) 3.26563 1.95938 0.653126
assi ((resi 56 and name HN and segid "b") )((resi 56 and name HG## and segid "b") ) 3.26563 1.95938 0.653126
assi ((resi 57 and name HN and segid "a") )((resi 56 and name HG## and segid "a") ) 4.3322 2.59932 0.866441
assi ((resi 57 and name HN and segid "b") )((resi 56 and name HG## and segid "b") ) 4.3322 2.59932 0.866441
assi ((resi 29 and name HN and segid "a") )((resi 29 and name HG# and segid "a") ) 3.38505 2.03103 0.677009
assi ((resi 29 and name HN and segid "b") )((resi 29 and name HG# and segid "b") ) 3.38505 2.03103 0.677009
assi ((resi 47 and name HN and segid "a") )((resi 47 and name HG1# and segid "a") ) 3.53583 2.1215 0.707166
assi ((resi 47 and name HN and segid "b") )((resi 47 and name HG1# and segid "b") ) 3.53583 2.1215 0.707166
assi ((resi 3 and name HN and segid "a") )((resi 3 and name HD## and segid "a") ) 4.88544 2.93126 0.977087
assi ((resi 3 and name HN and segid "b") )((resi 3 and name HD## and segid "b") ) 4.88544 2.93126 0.977087
assi ((resi 52 and name HN and segid "a") )((resi 52 and name HG## and segid "a") ) 3.29764 1.97858 0.659528
assi ((resi 52 and name HN and segid "b") )((resi 52 and name HG## and segid "b") ) 3.29764 1.97858 0.659528
assi ((resi 9 and name HN and segid "a") )((resi 8 and name HG1# and segid "a") ) 3.85375 2.31225 0.770751
assi ((resi 9 and name HN and segid "b") )((resi 8 and name HG1# and segid "b") ) 3.85375 2.31225 0.770751
assi ((resi 7 and name HN and segid "a") )((resi 7 and name HG1# and segid "a") ) 3.14891 1.88934 0.65
assi ((resi 7 and name HN and segid "b") )((resi 7 and name HG1# and segid "b") ) 3.14891 1.88934 0.65
assi ((resi 81 and name HN and segid "a") )((resi 81 and name HG2# and segid "a") ) 3.73985 2.24391 0.74797
assi ((resi 81 and name HN and segid "b") )((resi 81 and name HG2# and segid "b") ) 3.73985 2.24391 0.74797
assi ((resi 82 and name HN and segid "a") )((resi 81 and name HG2# and segid "a") ) 4.03344 2.42007 0.806689
assi ((resi 82 and name HN and segid "b") )((resi 81 and name HG2# and segid "b") ) 4.03344 2.42007 0.806689
assi ((resi 57 and name HN and segid "a") )((resi 56 and name HG## and segid "a") ) 3.82663 2.29598 0.765327
assi ((resi 57 and name HN and segid "b") )((resi 56 and name HG## and segid "b") ) 3.82663 2.29598 0.765327
assi ((resi 32 and name HN and segid "a") )((resi 32 and name HD## and segid "a") ) 4.22591 2.53554 0.845181
assi ((resi 32 and name HN and segid "b") )((resi 32 and name HD## and segid "b") ) 4.22591 2.53554 0.845181
assi ((resi 36 and name HN and segid "a") )((resi 36 and name HG2# and segid "a") ) 3.33213 1.99928 0.866425
assi ((resi 36 and name HN and segid "b") )((resi 36 and name HG2# and segid "b") ) 3.33213 1.99928 0.866425
assi ((resi 40 and name HN and segid "a") )((resi 40 and name HD## and segid "a") ) 3.48945 2.09367 0.697889
assi ((resi 40 and name HN and segid "b") )((resi 40 and name HD## and segid "b") ) 3.48945 2.09367 0.697889
assi ((resi 3 and name HN and segid "a") )((resi 3 and name HD## and segid "a") ) 4.52814 2.71688 0.905627
assi ((resi 3 and name HN and segid "b") )((resi 3 and name HD## and segid "b") ) 4.52814 2.71688 0.905627
assi ((resi 37 and name HN and segid "a") )((resi 36 and name HG2# and segid "a") ) 3.76753 2.26052 0.853505
assi ((resi 37 and name HN and segid "b") )((resi 36 and name HG2# and segid "b") ) 3.76753 2.26052 0.853505
!assi ((resi 41 and name HN and segid "a") )((resi 40 and name HD## and segid "a") ) 4.33591 2.60154 0.867181
!assi ((resi 41 and name HN and segid "b") )((resi 40 and name HD## and segid "b") ) 4.33591 2.60154 0.867181
assi ((resi 48 and name HN and segid "a") )((resi 47 and name HG2# and segid "a") ) 3.36262 2.01757 0.672525
assi ((resi 48 and name HN and segid "b") )((resi 47 and name HG2# and segid "b") ) 3.36262 2.01757 0.672525
assi ((resi 47 and name HN and segid "a") )((resi 47 and name HG2# and segid "a") ) 4.81639 2.88983 0.963277
assi ((resi 47 and name HN and segid "b") )((resi 47 and name HG2# and segid "b") ) 4.81639 2.88983 0.963277
assi ((resi 78 and name HN and segid "a") )((resi 77 and name HG## and segid "a") ) 4.21703 2.53022 0.843406
assi ((resi 78 and name HN and segid "b") )((resi 77 and name HG## and segid "b") ) 4.21703 2.53022 0.843406
assi ((resi 77 and name HN and segid "a") )((resi 77 and name HG## and segid "a") ) 4.08672 2.45203 0.817343
assi ((resi 77 and name HN and segid "b") )((resi 77 and name HG## and segid "b") ) 4.08672 2.45203 0.817343
assi ((resi 35 and name HN and segid "a") )((resi 35 and name HD## and segid "a") ) 4.13186 2.47911 1.126371
assi ((resi 35 and name HN and segid "b") )((resi 35 and name HD## and segid "b") ) 4.13186 2.47911 1.126371
assi ((resi 36 and name HN and segid "a") )((resi 36 and name HD1# and segid "a") ) 3.50044 2.10027 0.700089
assi ((resi 36 and name HN and segid "b") )((resi 36 and name HD1# and segid "b") ) 3.50044 2.10027 0.700089
assi ((resi 37 and name HN and segid "a") )((resi 36 and name HD1# and segid "a") ) 5.55058 3.33035 1.11012
assi ((resi 37 and name HN and segid "b") )((resi 36 and name HD1# and segid "b") ) 5.55058 3.33035 1.11012
assi ((resi 60 and name HN and segid "a") )((resi 60 and name HD## and segid "a") ) 4.07645 2.44587 0.81529
assi ((resi 60 and name HN and segid "b") )((resi 60 and name HD## and segid "b") ) 4.07645 2.44587 0.81529
assi ((resi 61 and name HN and segid "a") )((resi 60 and name HD## and segid "a") ) 4.4693 2.68158 0.893861
assi ((resi 61 and name HN and segid "b") )((resi 60 and name HD## and segid "b") ) 4.4693 2.68158 0.893861
assi ((resi 78 and name HN and segid "a") )((resi 77 and name HG## and segid "a") ) 4.534 2.7204 0.9068
assi ((resi 78 and name HN and segid "b") )((resi 77 and name HG## and segid "b") ) 4.534 2.7204 0.9068
assi ((resi 77 and name HN and segid "a") )((resi 77 and name HG## and segid "a") ) 3.26802 1.96081 0.753604
assi ((resi 77 and name HN and segid "b") )((resi 77 and name HG## and segid "b") ) 3.26802 1.96081 0.753604
assi ((resi 60 and name HN and segid "a") )((resi 60 and name HD## and segid "a") ) 4.33121 2.59872 0.866241
assi ((resi 60 and name HN and segid "b") )((resi 60 and name HD## and segid "b") ) 4.33121 2.59872 0.866241
assi ((resi 12 and name HN and segid "a") )((resi 11 and name HG2# and segid "a") ) 4.14628 2.48777 0.829257
assi ((resi 12 and name HN and segid "b") )((resi 11 and name HG2# and segid "b") ) 4.14628 2.48777 0.829257
assi ((resi 61 and name HN and segid "a") )((resi 60 and name HD## and segid "a") ) 4.87534 2.92521 0.975069
assi ((resi 61 and name HN and segid "b") )((resi 60 and name HD## and segid "b") ) 4.87534 2.92521 0.975069
assi ((resi 14 and name HE# and segid "a") )((resi 73 and name HD# and segid "a") ) 2.92303 1.75382 1.35
assi ((resi 14 and name HE# and segid "b") )((resi 73 and name HD# and segid "b") ) 2.92303 1.75382 1.35
assi ((resi 73 and name HE# and segid "a") )((resi 73 and name HD# and segid "a") ) 3.53807 2.12284 0.707613
assi ((resi 73 and name HE# and segid "b") )((resi 73 and name HD# and segid "b") ) 3.53807 2.12284 0.707613
assi ((resi 17 and name HE# and segid "a") )((resi 73 and name HD# and segid "a") ) 5.59146 3.35488 1.11829
assi ((resi 17 and name HE# and segid "b") )((resi 73 and name HD# and segid "b") ) 5.59146 3.35488 1.11829
assi ((resi 17 and name HD# and segid "a") )((resi 17 and name HE# and segid "a") ) 2.35373 1.41224 0.65
assi ((resi 17 and name HD# and segid "b") )((resi 17 and name HE# and segid "b") ) 2.35373 1.41224 0.65
assi ((resi 14 and name HD# and segid "a") )((resi 70 and name HA and segid "a") ) 3.42975 2.05785 0.68595
assi ((resi 14 and name HD# and segid "b") )((resi 70 and name HA and segid "b") ) 3.42975 2.05785 0.68595
assi ((resi 14 and name HE# and segid "a") )((resi 14 and name HD# and segid "a") ) 2.62413 1.57448 0.65
assi ((resi 14 and name HE# and segid "b") )((resi 14 and name HD# and segid "b") ) 2.62413 1.57448 0.65
assi ((resi 43 and name HD# and segid "a") )((resi 46 and name HA and segid "a") ) 2.94295 1.76577 1.25
assi ((resi 43 and name HD# and segid "b") )((resi 46 and name HA and segid "b") ) 2.94295 1.76577 1.25
!assi ((resi 70 and name HZ and segid "a") )((resi 14 and name HD# and segid "a") ) 3.32132 1.99279 1.564264
!assi ((resi 70 and name HZ and segid "b") )((resi 14 and name HD# and segid "b") ) 3.32132 1.99279 1.564264
assi ((resi 88 and name HZ and segid "a") )((resi 88 and name HE# and segid "a") ) 2.68388 1.61033 0.65
assi ((resi 88 and name HZ and segid "b") )((resi 88 and name HE# and segid "b") ) 2.68388 1.61033 0.65
!assi ((resi 25 and name HD2 and segid "a") )((resi 70 and name HA and segid "a") ) 2.54954 1.52972 1.05
!assi ((resi 25 and name HD2 and segid "b") )((resi 70 and name HA and segid "b") ) 2.54954 1.52972 1.05
!the above was to 68 before but tried 70
assi ((resi 17 and name HD# and segid "a") )((resi 35 and name HD## and segid "a") ) 3.68849 2.21309 0.737698
assi ((resi 17 and name HD# and segid "b") )((resi 35 and name HD## and segid "b") ) 3.68849 2.21309 0.737698
assi ((resi 17 and name HE# and segid "a") )((resi 35 and name HD## and segid "a") ) 4.10558 2.46335 0.821116
assi ((resi 17 and name HE# and segid "b") )((resi 35 and name HD## and segid "b") ) 4.10558 2.46335 0.821116
assi ((resi 17 and name HE# and segid "a") )((resi 35 and name HD## and segid "a") ) 4.10558 2.46335 0.821116
assi ((resi 17 and name HE# and segid "b") )((resi 35 and name HD## and segid "b") ) 4.10558 2.46335 0.821116
assi ((resi 73 and name HD# and segid "a") )((resi 73 and name HE# and segid "a") ) 2.61066 1.5664 0.65
assi ((resi 73 and name HD# and segid "b") )((resi 73 and name HE# and segid "b") ) 2.61066 1.5664 0.65
assi ((resi 43 and name HE# and segid "a") )((resi 43 and name HD# and segid "a") ) 2.45564 1.47338 0.65
assi ((resi 43 and name HE# and segid "b") )((resi 43 and name HD# and segid "b") ) 2.45564 1.47338 0.65
assi ((resi 88 and name HE# and segid "a") )((resi 88 and name HZ and segid "a") ) 2.7447 1.64682 0.65
assi ((resi 88 and name HE# and segid "b") )((resi 88 and name HZ and segid "b") ) 2.7447 1.64682 0.65
assi ((resi 43 and name HD# and segid "a") )((resi 43 and name HE# and segid "a") ) 2.24868 1.34921 0.65
assi ((resi 43 and name HD# and segid "b") )((resi 43 and name HE# and segid "b") ) 2.24868 1.34921 0.65
assi ((resi 17 and name HE# and segid "a") )((resi 17 and name HD# and segid "a") ) 2.32302 1.39381 0.65
assi ((resi 17 and name HE# and segid "b") )((resi 17 and name HD# and segid "b") ) 2.32302 1.39381 0.65
assi ((resi 88 and name HD# and segid "a") )((resi 88 and name HE# and segid "a") ) 2.42436 1.45462 0.65
assi ((resi 88 and name HD# and segid "b") )((resi 88 and name HE# and segid "b") ) 2.42436 1.45462 0.65
assi ((resi 42 and name HD2 and segid "a") )((resi 42 and name HA and segid "a") ) 3.57559 2.14536 0.715119
assi ((resi 42 and name HD2 and segid "b") )((resi 42 and name HA and segid "b") ) 3.57559 2.14536 0.715119
assi ((resi 73 and name HD# and segid "a") )((resi 73 and name HA and segid "a") ) 3.2631 1.95786 0.652619
assi ((resi 73 and name HD# and segid "b") )((resi 73 and name HA and segid "b") ) 3.2631 1.95786 0.652619
assi ((resi 73 and name HD# and segid "a") )((resi 73 and name HB# and segid "a") ) 2.51698 1.51019 0.65
assi ((resi 73 and name HD# and segid "b") )((resi 73 and name HB# and segid "b") ) 2.51698 1.51019 0.65
assi ((resi 76 and name HD# and segid "a") )((resi 76 and name HA and segid "a") ) 2.4308 1.45848 0.65
assi ((resi 76 and name HD# and segid "b") )((resi 76 and name HA and segid "b") ) 2.4308 1.45848 0.65
assi ((resi 14 and name HD# and segid "a") )((resi 14 and name HB2 and segid "a") ) 2.60788 1.56473 0.65
assi ((resi 14 and name HD# and segid "b") )((resi 14 and name HB2 and segid "b") ) 2.60788 1.56473 0.65
assi ((resi 88 and name HD# and segid "a") )((resi 88 and name HB# and segid "a") ) 3.19843 1.91906 0.65
assi ((resi 88 and name HD# and segid "b") )((resi 88 and name HB# and segid "b") ) 3.19843 1.91906 0.65
assi ((resi 43 and name HE# and segid "a") )((resi 43 and name HB# and segid "a") ) 3.08659 1.85195 1.55
assi ((resi 43 and name HE# and segid "b") )((resi 43 and name HB# and segid "b") ) 3.08659 1.85195 1.55
!assi ((resi 14 and name HE# and segid "a") )((resi 14 and name HA and segid "a") ) 2.42964 1.45778 2.05
!assi ((resi 14 and name HE# and segid "b") )((resi 14 and name HA and segid "b") ) 2.42964 1.45778 2.05
!assi ((resi 14 and name HE# and segid "a") )((resi 14 and name HB2 and segid "a") ) 2.55981 1.53589 2.05
!assi ((resi 14 and name HE# and segid "b") )((resi 14 and name HB2 and segid "b") ) 2.55981 1.53589 2.05
assi ((resi 88 and name HE# and segid "a") )((resi 88 and name HA and segid "a") ) 3.34088 2.00453 1.168176
assi ((resi 88 and name HE# and segid "b") )((resi 88 and name HA and segid "b") ) 3.34088 2.00453 1.168176
assi ((resi 88 and name HE# and segid "a") )((resi 88 and name HB# and segid "a") ) 4.28274 2.56965 0.856549
assi ((resi 88 and name HE# and segid "b") )((resi 88 and name HB# and segid "b") ) 4.28274 2.56965 0.856549
assi ((resi 42 and name HD2 and segid "a") )((resi 42 and name HB# and segid "a") ) 3.56861 2.14117 0.713722
assi ((resi 42 and name HD2 and segid "b") )((resi 42 and name HB# and segid "b") ) 3.56861 2.14117 0.713722
assi ((resi 82 and name HG2# and segid "b") )((resi 87 and name HE# and segid "b") ) 2.6085 2.1098 1.306
assi ((resi 82 and name HG2# and segid "a") )((resi 87 and name HE# and segid "a") ) 2.6085 2.1098 1.306
!The above was to Phe 73 but it is clearly missassigned!NOW MONOMER
!assi ((resi 78 and name HB# and segid "b") )((resi 87 and name HE# and segid "b") ) 2.9130 2.35612 1.006
!assi ((resi 78 and name HB# and segid "a") )((resi 87 and name HE# and segid "a") ) 2.9130 2.35612 1.006
!adjusted to monomer
!assi ((resi 74 and name HN and segid "b") )((resi 14 and name HD# and segid "a") ) 3.2228 2.60667 0.86889
!assi ((resi 74 and name HN and segid "a") )((resi 14 and name HD# and segid "b") ) 3.2228 2.60667 0.86889
assi ((resi 70 and name HN and segid "b") )((resi 82 and name HG2# and segid "a") ) 3.5445 2.86682 0.955606
assi ((resi 70 and name HN and segid "a") )((resi 82 and name HG2# and segid "b") ) 3.5445 2.86682 0.955606
assi ((resi 71 and name HN and segid "b") )((resi 82 and name HG2# and segid "a") ) 2.6100 2.11102 0.703674
assi ((resi 71 and name HN and segid "a") )((resi 82 and name HG2# and segid "b") ) 2.6100 2.11102 0.703674
!assi ((resi 16 and name HE2# and segid "b") )((resi 82 and name HG2# and segid "a") ) 4.03827 2.42296 0.807655
!assi ((resi 16 and name HE2# and segid "a") )((resi 82 and name HG2# and segid "b") ) 4.03827 2.42296 0.807655
!assi ((resi 10 and name HN and segid "b") )((resi 73 and name HE# and segid "a") ) 3.59585 2.15751 0.71917
!assi ((resi 10 and name HN and segid "a") )((resi 73 and name HE# and segid "b") ) 3.59585 2.15751 0.71917
!assi ((resi 78 and name HN and segid "b") )((resi 84 and name HA and segid "a") ) 3.43372 2.06023 0.686744
!assi ((resi 78 and name HN and segid "a") )((resi 84 and name HA and segid "b") ) 3.43372 2.06023 0.686744
assi ((resi 70 and name HD# and segid "b") )((resi 88 and name HE# and segid "a") ) 2.6468 2.14081 0.713602
assi ((resi 70 and name HD# and segid "a") )((resi 88 and name HE# and segid "b") ) 2.6468 2.14081 0.713602
!assi ((resi 87 and name HD# and segid "b") )((resi 14 and name HD# and segid "a") ) 2.3788 1.42728 1.05
!assi ((resi 87 and name HD# and segid "a") )((resi 14 and name HD# and segid "b") ) 2.3788 1.42728 1.05
!The above is a good noe I think but is intramonomer
!assi ((resi 87 and name HD# and segid "a") )((resi 82 and name HG2# and segid "a") ) 1.9167 1.55046 0.65
!assi ((resi 87 and name HD# and segid "b") )((resi 82 and name HG2# and segid "b") ) 1.9167 1.55046 0.65
!Changed from 14 to 82 dimer nOe
assi ((resi 78 and name HB# and segid "a") )((resi 71 and name HB# and segid "b") ) 2.05479 1.23288 1.006
assi ((resi 78 and name HB# and segid "b") )((resi 71 and name HB# and segid "a") ) 2.05479 1.23288 1.006
assi ((resi 78 and name HB# and segid "a") )((resi 71 and name HA and segid "b") ) 2.24429 1.34657 1.006
assi ((resi 78 and name HB# and segid "b") )((resi 71 and name HA and segid "a") ) 2.24429 1.34657 1.006
assi ((resi 5 and name HG# and segid "a") )((resi 39 and name HA and segid "b") ) 3.43781 2.06269 1.106
assi ((resi 5 and name HG# and segid "b") )((resi 39 and name HA and segid "a") ) 3.43781 2.06269 1.106

assi ((resi 77 and name HG## and segid "a") )((resi 7 and name HA and segid "b") ) 5.21324 3.12795 1.04265
assi ((resi 77 and name HG## and segid "b") )((resi 7 and name HA and segid "a") ) 5.21324 3.12795 1.04265

assi ((resi 40 and name HD## and segid "a") )((resi 7 and name HB and segid "b") ) 3.30255 1.98153 1.006
assi ((resi 40 and name HD## and segid "b") )((resi 7 and name HB and segid "a") ) 3.30255 1.98153 1.006

assi ((resi 2 and name HB# and segid "a") )((resi 13 and name HG1# and segid "b") ) 3.01662 1.80997 1.206
assi ((resi 2 and name HB# and segid "b") )((resi 13 and name HG1# and segid "a") ) 3.01662 1.80997 1.206

assi ((resi 71 and name HB# and segid "a") )((resi 78 and name HB# and segid "b") ) 4.69909 2.81945 1.006
assi ((resi 71 and name HB# and segid "b") )((resi 78 and name HB# and segid "a") ) 4.69909 2.81945 1.006

assi ((resi 3 and name HB# and segid "a") )((resi 13 and name HG1# and segid "b")
 or (resi 13 and name HG2# and segid "b") ) 2.72466 1.6348 1.006
assi ((resi 3 and name HB# and segid "b") )((resi 13 and name HG1# and segid "a")
 or (resi 13 and name HG2# and segid "a") ) 2.72466 1.6348 1.006

assi ((resi 77 and name HG## and segid "a") )((resi 7 and name HG2# and segid "b") ) 3.57144 2.14286 1.006
assi ((resi 77 and name HG## and segid "b") )((resi 7 and name HG2# and segid "a") ) 3.57144 2.14286 1.006

assi ((resi 10 and name HD## and segid "a") )((resi 77 and name HG## and segid "b") ) 2.85366 1.7122 1.006
assi ((resi 10 and name HD## and segid "b") )((resi 77 and name HG## and segid "a") ) 2.85366 1.7122 1.006

assi ((resi 74 and name HE# and segid "a") )((resi 77 and name HG## and segid "b") ) 3.6677 2.20062 1.006
assi ((resi 74 and name HE# and segid "b") )((resi 77 and name HG## and segid "a") ) 3.6677 2.20062 1.006

assi ((resi 81 and name HG2# and segid "a") )((resi 11 and name HG2# and segid "b") ) 1.60904 0.965425 1.206
assi ((resi 81 and name HG2# and segid "b") )((resi 11 and name HG2# and segid "a") ) 1.60904 0.965425 1.206

!assi ((resi 5 and name HA and segid "a") )((resi 40 and name HG and segid "b") ) 3.77568 2.26541 1.206
!assi ((resi 5 and name HA and segid "b") )((resi 40 and name HG and segid "a") ) 3.77568 2.26541 1.206

assi ((resi 71 and name HA and segid "a") )((resi 78 and name HB# and segid "b") ) 1.683 1.0098 1.006
assi ((resi 71 and name HA and segid "b") )((resi 78 and name HB# and segid "a") ) 1.683 1.0098 1.006

!assi ((resi 10 and name HN and segid "a") )((resi 6 and name HB# and segid "b")) 2.026 1.2156 0.65
!assi ((resi 10 and name HN and segid "b") )((resi 6 and name HB# and segid "a")) 2.026 1.2156 0.65

assi ((resi 5 and name HN and segid "a") )((resi 40 and name HG and segid "b") ) 6.09746 3.65847 1.21949
assi ((resi 5 and name HN and segid "b") )((resi 40 and name HG and segid "a") ) 6.09746 3.65847 1.21949

assi ((resi 3 and name HN and segid "a") )((resi 13 and name HG1# and segid "b")
 or (resi 13 and name HG2# and segid "b") ) 3.29261 1.97557 0.658523
assi ((resi 3 and name HN and segid "b") )((resi 13 and name HG1# and segid "a")
 or (resi 13 and name HG2# and segid "a") ) 3.29261 1.97557 0.658523
!extra unpicked or small noes 16.11.95
assi (resi 60 and name HN and segid "a") (resi 58 and name HN and segid "a") 4.000 2.000 1.000
assi (resi 60 and name HN and segid "a") (resi 56 and name HA and segid "a") 4.000 2.000 1.000
assi (resi 60 and name HA and segid "a") (resi 76 and name HB# and segid "a") 4.000 2.000 1.000
assi (resi 60 and name HB# and segid "a") (resi 57 and name HA and segid "a") 4.000 2.000 1.000
assi (resi 61 and name HB# and segid "a") (resi 58 and name HA and segid "a") 3.000 2.000 1.000
!17.11.95
assi (resi 69 and name HA and segid "a") (resi 14 and name HD# and segid "a") 5.000 2.000 1.000
assi (resi 62 and name HN and segid "a") (resi 59 and name HG# and segid "a") 4.000 2.000 1.000
assi (resi 62 and name HN and segid "a") (resi 63 and name HA and segid "a")  4.000 2.000 1.000
assi (resi 62 and name HN and segid "a") (resi 60 and name HD## and segid "a") 4.000 2.000 1.000
!assi (resi 62 and name HN and segid "a") (resi 60 and name HD## and segid "a") 4.000 2.000 1.000
assi (resi 63 and name HN and segid "a") (resi 62 and name HA and segid "a")  3.000 2.000 1.000
assi (resi 18 and name HA and segid "a") (resi 27 and name HA and segid "a")  4.000 2.00 1.00
assi (resi 68 and name HA and segid "a") ((resi 27 and name HD## and segi "a") or (resi 27 and name HD## and segi "a")) 5.0 2.0 1.0
!21.11.95
assi (resi 77 and name HG## and segid "a") ((resi 75 and name HA and segid "a") 
 or (resi 62 and name HB# and segid "a")
 or (resi 32 and name HA and segid "a")
 or (resi 34 and name HA and segid "a")
 or (resi 59 and name HA and segid "a")
 or (resi 72 and name HA and segid "a")) 5.000 2.000 1.000
assi (resi 73 and name HD# and segid "a") (resi 35 and name HD## and segid "a") 3.000 2.000 1.000
assi (resi 73 and name HE# and segid "a") (resi 35 and name HD## and segid "a") 3.000 2.000 1.000
!assi (resi 68 and name HA and segid "a" ) (resi 60 and name HB# and segid "a") 5.000 2.000 1.000
!assi (resi 68 and name HA and segid "a" ) (resi 60 and name HB# and segid "a") 5.000 2.000 1.000
assi (resi 70 and name HA and segid "a") (resi 14 and name HD# and segid "a") 4.0 2.0 1.0
assi (resi 14 and name HD# and segid "a")(resi 27 and name HD## and segid "a") 3.00 1.00 1.00
assi (resi 88 and name HD# and segid "a")(resi 82 and name HG2# and segid "a") 5.00 3.00 1.00
assi (resi 88 and name HE# and segid "a")(resi 82 and name HG2# and segid "a") 4.00 2.00 1.00

!!Noes for segid "b"
 
!extra unpicked or small noes 16.11.95
assi (resi 60 and name HN and segid "b") (resi 58 and name HN and segid "b") 4.000 2.000 1.000
assi (resi 60 and name HN and segid "b") (resi 56 and name HA and segid "b") 4.000 2.000 1.000
assi (resi 60 and name HA and segid "b") (resi 76 and name HB# and segid "b") 4.000 2.000 1.000
assi (resi 60 and name HB# and segid "b") (resi 57 and name HA and segid "b") 4.000 2.000 1.000
assi (resi 61 and name HB# and segid "b") (resi 58 and name HA and segid "b") 3.000 2.000 1.000
!17.11.95
assi (resi 69 and name HA and segid "b") (resi 14 and name HD# and segid "b") 5.000 2.000 1.000
assi (resi 62 and name HN and segid "b") (resi 59 and name HG# and segid "b") 4.000 2.000 1.000
assi (resi 62 and name HN and segid "b") (resi 63 and name HA and segid "b")  4.000 2.000 1.000
assi (resi 62 and name HN and segid "b") (resi 60 and name HD## and segid "b") 4.000 2.000 1.000
!assi (resi 62 and name HN and segid "b") (resi 60 and name HD## and segid "b") 4.000 2.000 1.000
assi (resi 63 and name HN and segid "b") (resi 62 and name HA and segid "b")  3.000 2.000 1.000
assi (resi 18 and name HA and segid "b") (resi 27 and name HA and segid "b")  4.000 2.00 1.00
assi (resi 68 and name HA and segid "b") ((resi 27 and name HD## and segi "b") or (resi 27 and name HD## and segi "b")) 5.0 2.0 1.0
!21.11.95
assi (resi 77 and name HG## and segid "b") ((resi 75 and name HA and segid "b") 
 or (resi 62 and name HB# and segid "b")
 or (resi 32 and name HA and segid "b")
 or (resi 34 and name HA and segid "b")
 or (resi 59 and name HA and segid "b")
 or (resi 72 and name HA and segid "b")) 5.000 2.000 1.000
assi (resi 73 and name HD# and segid "b") (resi 35 and name HD## and segid "b") 3.000 2.000 1.000
assi (resi 73 and name HE# and segid "b") (resi 35 and name HD## and segid "b") 3.000 2.000 1.000
!assi (resi 68 and name HA and segid "b" ) (resi 60 and name HB# and segid "b") 5.000 2.000 1.000
!assi (resi 68 and name HA and segid "b" ) (resi 60 and name HB# and segid "b") 5.000 2.000 1.000
assi (resi 70 and name HA and segid "b") (resi 14 and name HD# and segid "b") 4.0 2.0 1.0
assi (resi 14 and name HD# and segid "b")(resi 27 and name HD## and segid "b") 3.00 1.00 1.00
assi (resi 88 and name HD# and segid "a")(resi 82 and name HG2# and segid "a") 5.00 3.00 1.00
assi (resi 88 and name HE# and segid "a")(resi 82 and name HG2# and segid "a") 4.00 2.00 1.00
assi ((resi 76 and name HB# and segid "a") )((resi 76 and name HD# and segid "a") ) 2.855 1.713 1.006
assi ((resi 76 and name HB# and segid "b") )((resi 76 and name HD# and segid "b") ) 2.855 1.713 1.006
assi ((resi 31 and name HG# and segid "a") )((resi 17 and name HD# and segid "a") ) 4.161 2.4966 1.006
assi ((resi 31 and name HG# and segid "b") )((resi 17 and name HD# and segid "b") ) 4.161 2.4966 1.006
!assi ((resi 56 and name HG2# and segid "a") )((resi 76 and name HD# and segid "a")) 2.336 1.4016 1.006 
!assi ((resi 56 and name HG2# and segid "b") )((resi 76 and name HD# and segid "b")) 2.336 1.4016 1.006 
assi ((resi 60 and name HD## and segid "a") )((resi 76 and name HD# and segid "a") ) 4.414 2.6484 1.006
assi ((resi 60 and name HD## and segid "b") )((resi 76 and name HD# and segid "b") ) 4.414 2.6484 1.006
assi ((resi 79 and name HE# and segid "a") )((resi 76 and name HD# and segid "a")
 or (resi 83 and name HN and segid "a") ) 4.408 2.6448 1.006
assi ((resi 79 and name HE# and segid "b") )((resi 76 and name HD# and segid "b") 
 or (resi 83 and name HN and segid "b") ) 4.408 2.6448 1.006
assi ((resi 32 and name HD2# and segid "a") )((resi 73 and name HD# and segid "a") ) 4.621 2.7726 1.006
assi ((resi 32 and name HD2# and segid "b") )((resi 73 and name HD# and segid "b") ) 4.621 2.7726 1.006
assi ((resi 13 and name HG1# and segid "a") )((resi 73 and name HD# and segid "a") ) 5.570 4.342 2.114
assi ((resi 13 and name HG1# and segid "b") )((resi 73 and name HD# and segid "b") ) 5.570 4.342 2.114
assi ((resi 13 and name HG1# and segi "a") or (resi 13 and name HG2# and segi "a"))
  (resi 17 and name HE# and segi "a") 4.87 2.92 1.0
assi ((resi 13 and name HG1# and segi "b") or (resi 13 and name HG2# and segi "b"))
  (resi 17 and name HE# and segi "b") 4.87 2.92 1.0
assi ((resi 26 and name HE# and segid "a") )((resi 26 and name HA and segid "a") ) 4.322 2.5932 1.006
assi ((resi 26 and name HE# and segid "b") )((resi 26 and name HA and segid "b") ) 4.322 2.5932 1.006
assi ((resi 19 and name HA# and segid "a") )((resi 24 and name HA and segid "a") ) 5.307 3.1842 1.0614
assi ((resi 19 and name HA# and segid "b") )((resi 24 and name HA and segid "b") ) 5.307 3.1842 1.0614
assi ((resi 79 and name HB# and segid "a") )((resi 76 and name HA and segid "a") ) 4.373 2.6238 1.006
assi ((resi 79 and name HB# and segid "b") )((resi 76 and name HA and segid "b") ) 4.373 2.6238 1.006
assi ((resi 82 and name HG2# and segid "a") )((resi 81 and name HB and segid "a") ) 6.487 3.8922 1.2974
assi ((resi 82 and name HG2# and segid "b") )((resi 81 and name HB and segid "b") ) 6.487 3.8922 1.2974
assi ((resi 0 and name HE# and segid "a") )((resi 1 and name HB# and segid "a") ) 4.271 2.5626 1.006
assi ((resi 0 and name HE# and segid "b") )((resi 1 and name HB# and segid "b") ) 4.271 2.5626 1.006
assi ((resi 19 and name HA# and segid "a") )((resi 24 and name HA and segid "a") ) 4.007 2.4042 1.006
assi ((resi 19 and name HA# and segid "b") )((resi 24 and name HA and segid "b") ) 4.007 2.4042 1.006
assi ((resi 57 and name HG# and segid "a") )((resi 57 and name HA and segid "a") ) 3.392 2.0352 1.006
assi ((resi 57 and name HG# and segid "b") )((resi 57 and name HA and segid "b") ) 3.392 2.0352 1.006
assi ((resi 10 and name HA and segid "a") )((resi 10 and name HD1# and segid "a")
   or (resi 10 and name HD2# and segid "a") ) 3.267 1.9602 1.006
assi ((resi 10 and name HA and segid "b") )((resi 10 and name HD1# and segid "b")
 or (resi 10 and name HD2# and segid "b") ) 3.267 1.9602 1.006
assi ((resi 9 and name HB# and segid "a") )((resi 10 and name HA and segid "a") ) 4.351 2.6106 1.006
assi ((resi 9 and name HB# and segid "b") )((resi 10 and name HA and segid "b") ) 4.351 2.6106 1.006
assi ((resi 18 and name HB1 and segid "a") )((resi 18 and name HA and segid "a") ) 3.243 1.9458 1.006
assi ((resi 18 and name HB1 and segid "b") )((resi 18 and name HA and segid "b") ) 3.243 1.9458 1.006
assi ((resi 44 and name HA and segid "a") )((resi 44 and name HD## and segid "a")
 or (resi 44 and name HD## and segid "a") ) 3.105 1.863 1.006
assi ((resi 44 and name HA and segid "b") )((resi 44 and name HD## and segid "b")
 or (resi 44 and name HD## and segid "b") ) 3.105 1.863 1.006
assi ((resi 27 and name HB# and segid "a") )((resi 18 and name HA and segid "a")
 or (resi 32 and name HA and segid "a") ) 4.950 2.97 1.006
assi ((resi 27 and name HB# and segid "b") )((resi 18 and name HA and segid "b") 
 or (resi 32 and name HA and segid "b") ) 4.950 2.97 1.006 
assi ((resi 27 and name HD## and segid "a") )((resi 18 and name HA and segid "a") 
 or (resi 32 and name HA and segid "a") ) 3.468 2.0808 1.006
assi ((resi 27 and name HD## and segid "b") )((resi 18 and name HA and segid "b")
 or (resi 32 and name HA and segid "b") ) 3.468 2.0808 1.006 
assi ((resi 47 and name HA and segid "a") )((resi 47 and name HB and segid "a")
 or (resi 47 and name HG1# and segid "a") ) 2.996 1.7976 1.006
assi ((resi 47 and name HA and segid "b") )((resi 47 and name HB and segid "b") 
 or (resi 47 and name HG1# and segid "b") ) 2.996 1.7976 1.006 
assi ((resi 79 and name HE# and segid "a") )((resi 79 and name HA and segid "a") ) 5.015 3.009 1.006 
assi ((resi 79 and name HE# and segid "b") )((resi 79 and name HA and segid "b") ) 5.015 3.009 1.006 
assi ((resi 44 and name HD## and segid "a") )((resi 41 and name HA and segid "a") 
 or (resi 41 and name HB1 and segid "a") ) 4.153 2.4918 1.006
assi ((resi 44 and name HD## and segid "b") )((resi 41 and name HA and segid "b")
 or (resi 41 and name HB1 and segid "b") ) 4.153 2.4918 1.006 
assi ((resi 9 and name HB# and segid "a") )((resi 7 and name HA and segid "a") ) 7.498 4.4988 1.4996 
assi ((resi 9 and name HB# and segid "b") )((resi 7 and name HA and segid "b") ) 7.498 4.4988 1.4996 
assi ((resi 10 and name HD## and segid "a") )((resi 7 and name HA and segid "a") ) 3.994 2.3964 1.006
assi ((resi 10 and name HD## and segid "b") )((resi 7 and name HA and segid "b") ) 3.994 2.3964 1.006
assi ((resi 6 and name HB# and segid "a") )((resi 7 and name HA and segid "a") ) 5.038 3.0228 1.0076
assi ((resi 6 and name HB# and segid "b") )((resi 7 and name HA and segid "b") ) 5.038 3.0228 1.0076
assi ((resi 59 and name HG2# and segid "a") )((resi 56 and name HA and segid "a") ) 5.782 3.4692 1.1564 
assi ((resi 59 and name HG2# and segid "b") )((resi 56 and name HA and segid "b") ) 5.782 3.4692 1.1564 
assi ((resi 18 and name HB1 and segid "a") )((resi 18 and name HB2 and segid "a") ) 2.248 1.3488 1.006 
assi ((resi 18 and name HB1 and segid "b") )((resi 18 and name HB2 and segid "b") ) 2.248 1.3488 1.006 
assi ((resi 74 and name HG# and segid "a") )((resi 71 and name HA and segid "a") ) 4.493 2.6958 1.006 
assi ((resi 74 and name HG# and segid "b") )((resi 71 and name HA and segid "b") ) 4.493 2.6958 1.006 
assi ((resi 74 and name HB# and segid "a") )((resi 71 and name HA and segid "a") ) 4.415 2.649 1.006
assi ((resi 74 and name HB# and segid "b") )((resi 71 and name HA and segid "b") ) 4.415 2.649 1.006
assi ((resi 74 and name HE# and segid "a") )((resi 71 and name HA and segid "a") ) 5.435 3.261 1.087
assi ((resi 74 and name HE# and segid "b") )((resi 71 and name HA and segid "b") ) 5.435 3.261 1.087
assi ((resi 56 and name HB and segid "a") )((resi 53 and name HA and segid "a") ) 2.765 1.659 1.006
assi ((resi 56 and name HB and segid "b") )((resi 53 and name HA and segid "b") ) 2.765 1.659 1.006
assi ((resi 80 and name HB and segid "a") )((resi 77 and name HA and segid "a") ) 3.433 2.0598 1.006
assi ((resi 80 and name HB and segid "b") )((resi 77 and name HA and segid "b") ) 3.433 2.0598 1.006
assi ((resi 35 and name HD## and segid "a") )((resi 14 and name HB# and segid "a") ) 6.883 4.1298 1.3766
assi ((resi 35 and name HD## and segid "b") )((resi 14 and name HB# and segid "b") ) 6.883 4.1298 1.3766
assi ((resi 78 and name HB# and segid "a") )((resi 74 and name HA and segid "a") ) 5.691 3.4146 1.1382
assi ((resi 78 and name HB# and segid "b") )((resi 74 and name HA and segid "b") ) 5.691 3.4146 1.1382
assi ((resi 74 and name HG# and segid "a") )((resi 74 and name HA and segid "a") ) 3.757 2.2542 1.006
assi ((resi 74 and name HG# and segid "b") )((resi 74 and name HA and segid "b") ) 3.757 2.2542 1.006
assi ((resi 74 and name HB# and segid "a") )((resi 74 and name HA and segid "a") ) 3.324 1.9944 1.006
assi ((resi 74 and name HB# and segid "b") )((resi 74 and name HA and segid "b") ) 3.324 1.9944 1.006
assi ((resi 75 and name HB# and segid "a") )((resi 76 and name HB# and segid "a") ) 6.232 3.7392 1.2464
assi ((resi 75 and name HB# and segid "b") )((resi 76 and name HB# and segid "b") ) 6.232 3.7392 1.2464
assi ((resi 11 and name HG2# and segid "a") )((resi 12 and name HB# and segid "a") ) 7.823 4.6938 1.5646
assi ((resi 11 and name HG2# and segid "b") )((resi 12 and name HB# and segid "b") ) 7.823 4.6938 1.5646
assi ((resi 81 and name HG2# and segid "a") )((resi 84 and name HB# and segid "a") ) 4.535 2.721 1.006 
assi ((resi 81 and name HG2# and segid "b") )((resi 84 and name HB# and segid "b") ) 4.535 2.721 1.006 
assi ((resi 29 and name HG# and segid "a") )((resi 29 and name HE# and segid "a") ) 3.045 1.827 1.006
assi ((resi 29 and name HG# and segid "b") )((resi 29 and name HE# and segid "b") ) 3.045 1.827 1.006
assi ((resi 77 and name HG1# and segid "a") )((resi 76 and name HB# and segid "a") ) 8.083 4.8498 1.6166 
assi ((resi 77 and name HG1# and segid "b") )((resi 76 and name HB# and segid "b") ) 8.083 4.8498 1.6166 
assi ((resi 26 and name HB# and segid "a") )((resi 69 and name HB1 and segid "a") ) 4.136 2.4816 1.006 
assi ((resi 26 and name HB# and segid "b") )((resi 69 and name HB1 and segid "b") ) 4.136 2.4816 1.006 
assi ((resi 26 and name HG# and segid "a") )((resi 69 and name HB1 and segid "a") ) 3.113 1.8678 1.006 
assi ((resi 26 and name HG# and segid "b") )((resi 69 and name HB1 and segid "b") ) 3.113 1.8678 1.006 
assi ((resi 35 and name HD## and segid "a") )((resi 17 and name HB# and segid "a") ) 4.726 2.8356 1.006 
assi ((resi 35 and name HD## and segid "b") )((resi 17 and name HB# and segid "b") ) 4.726 2.8356 1.006 
assi ((resi 27 and name HG and segid "a") )((resi 17 and name HB# and segid "a")
 or (resi 68 and name HB# and segid "a") ) 8.137 4.8822 1.6274
assi ((resi 27 and name HG and segid "b") )((resi 17 and name HB# and segid "b") 
 or (resi 68 and name HB# and segid "b") ) 8.137 4.8822 1.6274 
assi ((resi 28 and name HB1 and segid "a") )((resi 28 and name HB2 and segid "a") ) 1.841 1.1046 1.006 
assi ((resi 28 and name HB2 and segid "b") )((resi 28 and name HB1 and segid "b") ) 1.841 1.1046 1.006 
assi ((resi 29 and name HG# and segid "a") )((resi 29 and name HB# and segid "a") ) 4.530 2.718 1.006 
assi ((resi 29 and name HG# and segid "b") )((resi 29 and name HB# and segid "b") ) 4.530 2.718 1.006 
assi ((resi 60 and name HD## and segid "a") )((resi 56 and name HB and segid "a") ) 10.830 6.498 2.166 
assi ((resi 60 and name HD## and segid "b") )((resi 56 and name HB and segid "b") ) 10.830 6.498 2.166 
assi ((resi 3 and name HD## and segid "a") )((resi 4 and name HB# and segid "a") ) 4.223 2.5338 1.006 
assi ((resi 3 and name HD## and segid "b") )((resi 4 and name HB# and segid "b") ) 4.223 2.5338 1.006 
assi ((resi 79 and name HG# and segid "a") )((resi 79 and name HE# and segid "a") ) 3.498 2.0988 1.006 
assi ((resi 79 and name HG# and segid "b") )((resi 79 and name HE# and segid "b") ) 3.498 2.0988 1.006 
assi ((resi 57 and name HG# and segid "a") )((resi 57 and name HE# and segid "a") ) 2.583 1.5498 1.006 
assi ((resi 57 and name HG# and segid "b") )((resi 57 and name HE# and segid "b") ) 2.583 1.5498 1.006 
assi ((resi 68 and name HB# and segid "a") )((resi 27 and name HG and segid "a") ) 3.924 2.3544 1.006 
assi ((resi 68 and name HB# and segid "b") )((resi 27 and name HG and segid "b") ) 3.924 2.3544 1.006 
assi ((resi 31 and name HB2 and segid "a") )((resi 27 and name HG and segid "a") ) 3.128 1.8768 1.006 
assi ((resi 31 and name HB2 and segid "b") )((resi 27 and name HG and segid "b") ) 3.128 1.8768 1.006 
assi ((resi 74 and name HB1 and segid "a") )((resi 74 and name HB2 and segid "a") ) 2.433 1.4598 1.006
assi ((resi 74 and name HB2 and segid "b") )((resi 74 and name HB1 and segid "b") ) 2.433 1.4598 1.006
assi ((resi 16 and name HB# and segid "a") )((resi 13 and name HG1# and segid "a")
 or (resi 13 and name HG2# and segid "a") ) 6.754 4.0524 1.3508
assi ((resi 16 and name HB# and segid "b") )((resi 13 and name HG1# and segid "b")
 or (resi 13 and name HG2# and segid "b") ) 6.754 4.0524 1.3508
assi ((resi 46 and name HG# and segid "a") )((resi 56 and name HG2# and segid "a") ) 5.559 3.3354 1.1118
assi ((resi 46 and name HG# and segid "b") )((resi 56 and name HG2# and segid "b") ) 5.559 3.3354 1.1118
assi ((resi 79 and name HG# and segid "a") )((resi 56 and name HG2# and segid "a") ) 6.395 3.837 1.279
assi ((resi 79 and name HG# and segid "b") )((resi 56 and name HG2# and segid "b") ) 6.395 3.837 1.279
assi ((resi 68 and name HB# and segid "a") )((resi 29 and name HG# and segid "a")
 or (resi 32 and name HD2# and segid "a") ) 5.557 3.3342 1.1114
assi ((resi 68 and name HB# and segid "b") )((resi 29 and name HG# and segid "b")
 or (resi 32 and name HD2# and segid "b") ) 5.557 3.3342 1.1114
assi ((resi 51 and name HG# and segid "a") )((resi 52 and name HG2# and segid "a") ) 4.787 2.8722 1.006
assi ((resi 51 and name HG# and segid "b") )((resi 52 and name HG2# and segid "b") ) 4.787 2.8722 1.006
assi ((resi 57 and name HG# and segid "a") )((resi 53 and name HG1# and segid "a")
 or (resi 53 and name HG2# and segid "a") ) 3.911 2.3466 1.006
assi ((resi 57 and name HG# and segid "b") )((resi 53 and name HG1# and segid "b") 
 or (resi 53 and name HG2# and segid "b") ) 3.911 2.3466 1.006 
assi ((resi 78 and name HB# and segid "a") )((resi 77 and name HG2# and segid "a") ) 7.110 4.266 1.422 
assi ((resi 78 and name HB# and segid "b") )((resi 77 and name HG2# and segid "b") ) 7.110 4.266 1.422 
assi ((resi 68 and name HB# and segid "a") )((resi 27 and name HD1# and segid "a")
 or (resi 27 and name HD2# and segid "a") ) 6.304 3.7824 1.2608
assi ((resi 68 and name HB# and segid "b") )((resi 27 and name HD1# and segid "b") 
 or (resi 27 and name HD2# and segid "b") ) 6.304 3.7824 1.2608 
assi ((resi 59 and name HG2# and segid "a") )((resi 60 and name HD## and segid "a") ) 6.079 3.6474 1.2158 
assi ((resi 59 and name HG2# and segid "b") )((resi 60 and name HD## and segid "b") ) 6.079 3.6474 1.2158 
assi ((resi 13 and name HG1# and segid "a") )((resi 35 and name HD## and segid "a") ) 5.549 3.3294 1.1098 
assi ((resi 13 and name HG1# and segid "b") )((resi 35 and name HD## and segid "b") ) 5.549 3.3294 1.1098 
assi ((resi 29 and name HG# and segid "a") )((resi 60 and name HD## and segid "a") ) 5.343 3.2058 1.0686 
assi ((resi 29 and name HG# and segid "b") )((resi 60 and name HD## and segid "b") ) 5.343 3.2058 1.0686 
assi ((resi 56 and name HG## and segid "a") )((resi 60 and name HD## and segid "a") ) 4.209 2.5254 1.006 
assi ((resi 56 and name HG## and segid "b") )((resi 60 and name HD## and segid "b") ) 4.209 2.5254 1.006 
assi ((resi 59 and name HG2# and segid "a") )((resi 60 and name HD## and segid "a") ) 6.483 3.8898 1.2966 
assi ((resi 59 and name HG2# and segid "b") )((resi 60 and name HD## and segid "b") ) 6.483 3.8898 1.2966 
assi ((resi 73 and name HD# and segid "a") )((resi 14 and name HD# and segid "a") ) 2.83779 1.70267 0.65
assi ((resi 73 and name HD# and segid "b") )((resi 14 and name HD# and segid "b") ) 2.83779 1.70267 0.65
assi ((resi 25 and name HD2 and segid "a") )((resi 18 and name HB1 and segid "a") ) 4.2134 2.52804 0.84268
assi ((resi 25 and name HD2 and segid "b") )((resi 18 and name HB1 and segid "b") ) 4.2134 2.52804 0.84268
assi ((resi 73 and name HD# and segid "a") )((resi 32 and name HD## and segid "a") ) 2.52282 1.51369 1.65
assi ((resi 73 and name HD# and segid "b") )((resi 32 and name HD## and segid "b") ) 2.52282 1.51369 1.65
!assi ((resi 70 and name HE# and segid "a") )((resi 11 and name HG1# and segid "a") ) 4.17374 2.50424 1.534748
!assi ((resi 70 and name HE# and segid "b") )((resi 11 and name HG1# and segid "b") ) 4.17374 2.50424 1.534748
!assi ((resi 76 and name HD# and segid "a") )((resi 40 and name HB# and segid "a") ) 4.57056 2.74234 1.614112
!assi ((resi 76 and name HD# and segid "b") )((resi 40 and name HB# and segid "b") ) 4.57056 2.74234 1.614112
!assi ((resi 14 and name HD# and segid "a") )((resi 27 and name HG and segid "a") ) 2.59383 1.5563 1.75
!assi ((resi 14 and name HD# and segid "b") )((resi 27 and name HG and segid "b") ) 2.59383 1.5563 1.75
assi ((resi 71 and name HB#) )((resi 71 and name HN) ) 3.09368 1.85621 1.006
assi ((resi 79 and name HE#) )((resi 6 and name HN)
 or (resi 59 and name HN)
 or (resi 64 and name HN)
 or (resi 71 and name HN)
 or (resi 79 and name HN) ) 4.61352 2.76811 1.006
assi ((resi 80 and name HB) )((resi 82 and name HN) ) 3.37247 2.02348 1.006
assi ((resi 80 and name HG2#) )((resi 82 and name HN) ) 4.65331 2.79199 1.006
assi ((resi 80 and name HD1#) )((resi 82 and name HN) ) 4.75848 2.85509 1.006
assi ((resi 76 and name HB#) )((resi 76 and name HD#) ) 2.85492 1.71295 1.006
assi ((resi 31 and name HG#) )((resi 17 and name HD#) ) 4.16126 2.49676 1.006
assi ((resi 32 and name HD##) )((resi 76 and name HD#) ) 2.3873 1.43238 1.006
assi ((resi 7 and name HG1#) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 16 and name HE2#)
 or (resi 17 and name HD#)
 or (resi 17 and name HN)
 or (resi 43 and name HE#)
 or (resi 45 and name HN)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 3.83803 2.30282 1.106
assi ((resi 60 and name HD##) )((resi 76 and name HD#) ) 3.13989 1.88393 1.006
assi ((resi 13 and name HG##) )((resi 17 and name HD#) ) 4.58293 2.74976 1.006
assi ((resi 79 and name HE#) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 17 and name HN)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 3.13484 1.8809 1.006
assi ((resi 36 and name HD1#) )((resi 76 and name HD#) ) 4.98842 2.99305 1.006
assi ((resi 88 and name HB#) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 2.10172 1.26103 1.206
assi ((resi 5 and name HE#)  or (resi 88 and name HB#) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 1.99715 1.19829 1.006
assi ((resi 59 and name HG2#) )((resi 76 and name HD#) ) 2.05189 1.23114 1.006
assi ((resi 43 and name HB#) )((resi 42 and name HD2)
 or (resi 76 and name HZ) ) 4.70572 2.82343 1.006
assi ((resi 80 and name HG2#) )((resi 76 and name HZ) ) 4.06267 2.4376 1.006
assi ((resi 35 and name HD##) )((resi 73 and name HE#) ) 3.47569 2.08542 1.006
assi ((resi 13 and name HG##) )((resi 17 and name HD#) ) 4.44516 2.66709 1.006
assi ((resi 10 and name HB2) )((resi 73 and name HE#) ) 3.61337 2.16802 1.006
assi ((resi 73 and name HB#) )((resi 14 and name HE#) ) 3.31446 1.98868 1.006
assi ((resi 10 and name HD##) )((resi 73 and name HE#) ) 2.31334 1.388 1.006
assi ((resi 35 and name HD##) )((resi 73 and name HE#) ) 1.84825 1.10895 1.006
assi ((resi 74 and name HE#) )((resi 14 and name HE#)
 or (resi 73 and name HE#) ) 2.93097 1.75858 1.006
assi ((resi 74 and name HG#) )((resi 73 and name HD#)
 or (resi 88 and name HZ) ) 2.71059 1.62635 1.006
assi ((resi 73 and name HB#) )((resi 73 and name HD#) ) 1.71649 1.02989 1.006
assi ((resi 32 and name HD##) )((resi 73 and name HD#) ) 2.60165 1.56099 1.006
assi ((resi 13 and name HG##) )((resi 73 and name HD#) ) 7.01532 4.20919 1.40306
assi ((resi 13 and name HG##) )((resi 17 and name HE#) ) 2.78542 1.67125 1.006
assi ((resi 26 and name HE#) )((resi 26 and name HA) ) 3.50164 2.10099 1.006
assi ((resi 72 and name HB1) )((resi 68 and name HA) ) 3.86182 2.31709 1.006
assi ((resi 26 and name HE#) )((resi 25 and name HA)
 or (resi 28 and name HA)
 or (resi 39 and name HA)
 or (resi 65 and name HA) ) 2.68147 1.60888 1.006
assi ((resi 45 and name HB#) )((resi 42 and name HA) ) 4.38177 2.62906 1.006
assi ((resi 72 and name HG#) )((resi 6 and name HA)
 or (resi 9 and name HA)
 or (resi 31 and name HA)
 or (resi 62 and name HA)
 or (resi 73 and name HA)
 or (resi 76 and name HA)
 or (resi 81 and name HB) ) 4.18498 2.51099 1.006
assi ((resi 32 and name HD##) )((resi 73 and name HA) ) 4.43791 2.66275 1.006
assi ((resi 32 and name HD##) )((resi 73 and name HA) ) 3.17485 1.90491 1.006
assi ((resi 77 and name HG##) )((resi 6 and name HA)
 or (resi 9 and name HA)
 or (resi 31 and name HA)
 or (resi 62 and name HA)
 or (resi 73 and name HA)
 or (resi 76 and name HA)
 or (resi 81 and name HB) ) 4.49088 2.69453 1.006
assi ((resi 75 and name HB#) )((resi 76 and name HA) ) 4.46366 2.67819 1.006
assi ((resi 19 and name HA#) )((resi 24 and name HA) ) 5.30697 3.18418 1.06139
assi ((resi 79 and name HB#) )((resi 76 and name HA) ) 4.3734 2.62404 1.006
assi ((resi 79 and name HG#) )((resi 76 and name HA) ) 5.30676 3.18405 1.06135
assi ((resi 82 and name HG2#) )((resi 81 and name HB) ) 4.86578 2.91947 1.006
assi ((resi 77 and name HG##) )((resi 81 and name HB) ) 4.19431 2.51659 1.006
assi ((resi 78 and name HB#) )((resi 1 and name HB#)
 or (resi 6 and name HA)
 or (resi 9 and name HA)
 or (resi 24 and name HA)
 or (resi 54 and name HA)
 or (resi 62 and name HA)
 or (resi 76 and name HA)
 or (resi 81 and name HB) ) 4.15524 2.49314 1.006
assi ((resi 0 and name HE#) )((resi 1 and name HB#) ) 3.02066 1.81239 1.006
assi ((resi 36 and name HD1#) )((resi 73 and name HA) ) 5.54405 3.32643 1.10881
assi ((resi 80 and name HD1#) )((resi 76 and name HA) ) 5.95445 3.57267 1.19089
assi ((resi 19 and name HA#) )((resi 24 and name HA) ) 4.00745 2.40447 1.006
assi ((resi 44 and name HD##) )((resi 37 and name HA) ) 2.65178 1.59107 1.006
assi ((resi 47 and name HG2#) )((resi 45 and name HA) ) 3.2663 1.95978 1.006
assi ((resi 57 and name HG#) )((resi 57 and name HA) ) 3.39153 2.03492 1.006
assi ((resi 9 and name HB#) )((resi 10 and name HA) ) 3.08723 1.85234 1.006
assi ((resi 18 and name HB1) )((resi 18 and name HA) ) 3.24317 1.9459 1.006
assi ((resi 7 and name HG2#)  or (resi 13 and name HG##) )((resi 2 and name HA)
 or (resi 3 and name HA)
 or (resi 10 and name HA)
 or (resi 17 and name HA)
 or (resi 41 and name HB2)
 or (resi 44 and name HA)
 or (resi 51 and name HA)
 or (resi 57 and name HA)
 or (resi 58 and name HA) ) 2.57197 1.54318 1.006
assi ((resi 27 and name HB#) )((resi 2 and name HA)
 or (resi 3 and name HA)
 or (resi 18 and name HA)
 or (resi 32 and name HA)
 or (resi 34 and name HA)
 or (resi 44 and name HA)
 or (resi 62 and name HB#)
 or (resi 75 and name HA)
 or (resi 88 and name HA)
 or (resi 91 and name HA) ) 4.95012 2.97007 1.006
assi ((resi 35 and name HD##) )((resi 32 and name HA) ) 3.05593 1.83356 1.006
assi ((resi 27 and name HD##) )((resi 32 and name HA) ) 2.35212 1.41127 1.006
assi ((resi 35 and name HD##) )((resi 32 and name HA) ) 4.12869 2.47722 1.006
assi ((resi 11 and name HD1#) )((resi 2 and name HA)
 or (resi 3 and name HA)
 or (resi 18 and name HA)
 or (resi 32 and name HA)
 or (resi 34 and name HA)
 or (resi 44 and name HA)
 or (resi 62 and name HB#)
 or (resi 75 and name HA)
 or (resi 88 and name HA)
 or (resi 91 and name HA) ) 4.36336 2.61801 1.106
assi ((resi 36 and name HD1#) )((resi 32 and name HA) ) 4.70967 2.8258 1.006
assi ((resi 74 and name HG#) )((resi 19 and name HA#)
 or (resi 20 and name HA)
 or (resi 32 and name HA)
 or (resi 47 and name HA)
 or (resi 59 and name HA)
 or (resi 62 and name HB#)
 or (resi 72 and name HA)
 or (resi 75 and name HA)
 or (resi 78 and name HA)
 or (resi 82 and name HB) ) 4.61061 2.76636 1.006
assi ((resi 83 and name HB#) )((resi 82 and name HB) ) 4.87828 2.92697 1.006
assi ((resi 74 and name HE#) )((resi 78 and name HA) ) 2.92983 1.7579 1.006
assi ((resi 79 and name HE#) )((resi 79 and name HA) ) 3.64073 2.18444 1.006
assi ((resi 44 and name HD##) )((resi 41 and name HA) ) 2.92259 1.75355 1.006
assi ((resi 9 and name HB#) )((resi 7 and name HA) ) 5.70842 3.42505 1.14168
assi ((resi 23 and name HB#) )((resi 22 and name HA#) ) 3.6514 2.19084 1.006
assi ((resi 50 and name HB#) )((resi 50 and name HA) ) 2.45029 1.47018 1.006
assi ((resi 10 and name HD##) )((resi 7 and name HA) ) 2.79066 1.67439 1.006
assi ((resi 6 and name HB#) )((resi 7 and name HA) ) 3.65938 2.19563 1.006
assi ((resi 47 and name HD1#) )((resi 50 and name HA) ) 4.0814 2.44884 1.006
assi ((resi 55 and name HG#) )((resi 52 and name HA) ) 3.71318 2.22791 1.006
assi ((resi 59 and name HG2#) )((resi 56 and name HA) ) 4.27888 2.56733 1.006
assi ((resi 32 and name HD##)  or (resi 40 and name HD##) )((resi 42 and name HB#)
 or (resi 52 and name HA)
 or (resi 56 and name HA)
 or (resi 80 and name HA)
 or (resi 81 and name HA) ) 9.86958 6.92175 1.97392
assi ((resi 73 and name HB1) )((resi 73 and name HB2) ) 2.8063 1.68378 1.006
assi ((resi 27 and name HD##) )((resi 73 and name HB#) ) 3.70186 2.22111 1.006
assi ((resi 60 and name HD##) )((resi 33 and name HA) ) 3.16792 1.90075 1.006
assi ((resi 32 and name HD##) )((resi 8 and name HA)
 or (resi 14 and name HA)
 or (resi 18 and name HB2)
 or (resi 33 and name HA)
 or (resi 73 and name HB#) ) 4.95093 2.97056 1.006
assi ((resi 18 and name HB1) )((resi 18 and name HB2) ) 2.24797 1.34878 1.006
assi ((resi 13 and name HG##) )((resi 14 and name HA) ) 5.50593 3.30356 1.10119
assi ((resi 36 and name HD1#) )((resi 33 and name HA) ) 3.7429 2.24574 1.006
assi ((resi 11 and name HG2#) )((resi 8 and name HA) ) 3.32933 1.9976 1.006
assi ((resi 74 and name HG#) )((resi 71 and name HA) ) 3.65353 2.19212 1.006
assi ((resi 74 and name HB#) )((resi 71 and name HA) ) 4.41519 2.64912 1.006
assi ((resi 74 and name HE#) )((resi 11 and name HA)
 or (resi 35 and name HA)
 or (resi 43 and name HB#)
 or (resi 71 and name HA) ) 3.98983 2.3939 1.006
assi ((resi 43 and name HB1) )((resi 43 and name HB2) ) 1.53137 0.918823 1.006
assi ((resi 56 and name HB) )((resi 53 and name HA) ) 2.76507 1.65904 1.006
assi ((resi 45 and name HB#) )((resi 42 and name HB#) ) 4.05287 2.43172 1.006
assi ((resi 83 and name HB#) )((resi 82 and name HA) ) 4.80215 2.88129 1.006
assi ((resi 44 and name HD##) )((resi 43 and name HB#) ) 5.09233 3.0554 1.01847
assi ((resi 80 and name HB) )((resi 77 and name HA) ) 3.43283 2.0597 1.006
assi ((resi 80 and name HG2#) )((resi 43 and name HB#) ) 3.12273 1.87364 1.006
assi ((resi 33 and name HD1)  or (resi 55 and name HD#) )((resi 25 and name HB#)
 or (resi 36 and name HA)
 or (resi 43 and name HB#)
 or (resi 73 and name HB#)
 or (resi 77 and name HA)
 or (resi 88 and name HB#) ) 5.53798 3.32279 1.1076
assi ((resi 35 and name HD##) )((resi 73 and name HB#) ) 5.19614 3.11768 1.03923
assi ((resi 32 and name HD##)  or (resi 40 and name HD##) )((resi 25 and name HB#)
 or (resi 36 and name HA)
 or (resi 43 and name HB#)
 or (resi 73 and name HB#)
 or (resi 77 and name HA)
 or (resi 88 and name HB#) ) 2.58595 1.55157 1.006
assi ((resi 27 and name HD##) )((resi 73 and name HB#) ) 4.60999 2.76599 1.006
assi ((resi 35 and name HD##) )((resi 36 and name HA) ) 2.51342 1.50805 1.006
assi ((resi 10 and name HD##) )((resi 14 and name HB2)
 or (resi 36 and name HA)
 or (resi 73 and name HB#)
 or (resi 77 and name HA) ) 4.16056 2.49634 1.006
assi ((resi 78 and name HB#) )((resi 74 and name HA) ) 4.20366 2.52219 1.006
assi ((resi 74 and name HG#) )((resi 74 and name HA) ) 2.99837 1.79902 1.006
assi ((resi 74 and name HB#) )((resi 74 and name HA) ) 3.32413 1.99448 1.006
assi ((resi 32 and name HD##)  or (resi 40 and name HD##) )((resi 25 and name HB#)
 or (resi 36 and name HA)
 or (resi 43 and name HB#)
 or (resi 73 and name HB#)
 or (resi 77 and name HA)
 or (resi 88 and name HB#) ) 2.37145 1.42287 1.006
assi ((resi 75 and name HB#) )((resi 76 and name HB#) ) 4.65414 2.79248 1.006
assi ((resi 26 and name HB#) )((resi 26 and name HE#) ) 5.8815 3.5289 1.1763
assi ((resi 72 and name HB1) )((resi 68 and name HB#) ) 3.6816 2.20896 1.006
assi ((resi 11 and name HG2#) )((resi 5 and name HE#)
 or (resi 12 and name HB#)
 or (resi 33 and name HE#)
 or (resi 55 and name HE#)
 or (resi 88 and name HB#) ) 4.9769 2.98614 1.006
assi ((resi 60 and name HD##) )((resi 12 and name HB#)
 or (resi 30 and name HB1)
 or (resi 33 and name HE#)
 or (resi 57 and name HG#)
 or (resi 84 and name HB#) ) 3.74197 2.24518 1.006
assi ((resi 13 and name HG##) )((resi 12 and name HB#) ) 2.88133 1.7288 1.006
assi ((resi 9 and name HB#) )((resi 12 and name HB#) ) 4.34138 2.60483 1.006
assi ((resi 80 and name HG2#) )((resi 5 and name HE#)
 or (resi 12 and name HB#)
 or (resi 30 and name HB1)
 or (resi 33 and name HE#)
 or (resi 57 and name HG#)
 or (resi 84 and name HB#)
 or (resi 88 and name HB#) ) 5.97467 3.5848 1.19493
assi ((resi 53 and name HG##) )((resi 57 and name HG#) ) 2.58991 1.55395 1.006
assi ((resi 36 and name HD1#) )((resi 76 and name HB#) ) 4.22561 2.53536 1.006
assi ((resi 80 and name HD1#) )((resi 76 and name HB#) ) 5.41025 3.24615 1.08205
assi ((resi 39 and name HB#) )((resi 38 and name HB#) ) 3.4705 2.0823 1.006
assi ((resi 29 and name HG#) )((resi 29 and name HE#) ) 3.04466 1.8268 1.006
assi ((resi 77 and name HG##) )((resi 76 and name HB#) ) 6.19552 3.71731 1.2391
assi ((resi 26 and name HB#) )((resi 69 and name HB1) ) 4.13552 2.48131 1.006
assi ((resi 3 and name HD##) )((resi 38 and name HB#) ) 4.78227 2.86936 1.006
assi ((resi 26 and name HG#) )((resi 69 and name HB1) ) 2.42418 1.45451 1.006
assi ((resi 32 and name HD##) )((resi 76 and name HB#) ) 5.85873 3.51524 1.17175
assi ((resi 35 and name HD##) )((resi 38 and name HB#) ) 4.23506 2.54104 1.006
assi ((resi 45 and name HB#) )((resi 48 and name HE#) ) 2.16405 1.29843 1.006
assi ((resi 35 and name HD##) )((resi 17 and name HB1) ) 2.68003 1.60802 1.006
assi ((resi 27 and name HD##) )((resi 17 and name HB1) ) 1.96007 1.17604 1.006
assi ((resi 29 and name HG#) )((resi 31 and name HB2)
 or (resi 34 and name HG1)
 or (resi 37 and name HB#)
 or (resi 63 and name HB#) ) 6.33055 3.79833 1.26611
assi ((resi 44 and name HD##) )((resi 37 and name HB#) ) 4.83931 2.90359 1.006
assi ((resi 40 and name HD##) )((resi 4 and name HG#) ) 2.89047 1.73428 1.006
assi ((resi 0 and name HE#) )((resi 4 and name HG#)
 or (resi 10 and name HB1)
 or (resi 17 and name HB1)
 or (resi 31 and name HB2)
 or (resi 37 and name HB#)
 or (resi 65 and name HB#)
 or (resi 79 and name HG#)
 or (resi 89 and name HG1) ) 4.72088 2.83253 1.006
assi ((resi 27 and name HB#) )((resi 2 and name HG#)
 or (resi 18 and name HB1)
 or (resi 34 and name HG1)
 or (resi 50 and name HG#)
 or (resi 72 and name HG1)
 or (resi 79 and name HG#) ) 4.25327 2.55196 1.006
assi ((resi 28 and name HE#) )((resi 28 and name HB#) ) 4.04964 2.42978 1.006
assi ((resi 67 and name HG1) )((resi 67 and name HG2) ) 1.23293 0.739758 1.006
assi ((resi 28 and name HB1) )((resi 28 and name HB2) ) 1.84096 1.10457 1.006
assi ((resi 3 and name HD##) )((resi 39 and name HB#) ) 4.22261 2.53356 1.006
assi ((resi 68 and name HB#) )((resi 7 and name HB)
 or (resi 28 and name HB#)
 or (resi 29 and name HB#)
 or (resi 31 and name HB1)
 or (resi 49 and name HG#)
 or (resi 51 and name HG#)
 or (resi 56 and name HB)
 or (resi 63 and name HB#)
 or (resi 67 and name HB1)
 or (resi 72 and name HB1) ) 3.38754 2.03253 1.006
assi ((resi 29 and name HG#) )((resi 29 and name HB#) ) 4.52971 2.71783 1.006
assi ((resi 60 and name HD##) )((resi 56 and name HB) ) 8.48249 5.0895 1.6965
assi ((resi 52 and name HG##) )((resi 7 and name HB)
 or (resi 28 and name HB#)
 or (resi 29 and name HB#)
 or (resi 31 and name HB1)
 or (resi 51 and name HG#)
 or (resi 56 and name HB)
 or (resi 63 and name HB#)
 or (resi 67 and name HB1)
 or (resi 67 and name HG2)
 or (resi 72 and name HB1) ) 2.44927 1.46956 1.006
assi ((resi 57 and name HG#) )((resi 57 and name HB#) ) 1.64375 0.986251 1.006
assi ((resi 35 and name HD##) )((resi 4 and name HB#)
 or (resi 7 and name HB)
 or (resi 29 and name HB#)
 or (resi 31 and name HG#)
 or (resi 34 and name HB#)
 or (resi 46 and name HG1)
 or (resi 49 and name HG#)
 or (resi 56 and name HB)
 or (resi 57 and name HB#)
 or (resi 72 and name HB1) ) 4.52629 2.71578 1.006
assi ((resi 3 and name HD##) )((resi 4 and name HB#)
 or (resi 8 and name HB)
 or (resi 13 and name HB)
 or (resi 21 and name HG1)
 or (resi 31 and name HG#)
 or (resi 34 and name HB#)
 or (resi 45 and name HB#)
 or (resi 46 and name HG1)
 or (resi 49 and name HG#)
 or (resi 49 and name HG#)
 or (resi 57 and name HB#) ) 2.98106 1.78864 1.006
assi ((resi 60 and name HD##) )((resi 32 and name HB#) ) 3.01165 1.80699 1.006
assi ((resi 75 and name HB#) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 21 and name HB#)
 or (resi 32 and name HB#)
 or (resi 50 and name HB#)
 or (resi 52 and name HB)
 or (resi 53 and name HB)
 or (resi 58 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HE#) ) 3.92003 2.35202 1.006
assi ((resi 48 and name HG#) )((resi 4 and name HB#)
 or (resi 8 and name HB)
 or (resi 13 and name HB)
 or (resi 21 and name HG1)
 or (resi 31 and name HG#)
 or (resi 34 and name HB#)
 or (resi 45 and name HB#)
 or (resi 46 and name HG1)
 or (resi 49 and name HG#)
 or (resi 49 and name HG#)
 or (resi 57 and name HB#) ) 4.10833 2.465 1.006
assi ((resi 82 and name HG2#) )((resi 13 and name HB)
 or (resi 16 and name HB#)
 or (resi 21 and name HG1)
 or (resi 45 and name HB#)
 or (resi 45 and name HB#)
 or (resi 46 and name HB#)
 or (resi 49 and name HB#)
 or (resi 49 and name HG#)
 or (resi 71 and name HG#)
 or (resi 79 and name HB#)
 or (resi 89 and name HB#)
 or (resi 91 and name HB#) ) 2.54752 1.52851 1.006
assi ((resi 79 and name HG#) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 10 and name HG)
 or (resi 32 and name HB#)
 or (resi 50 and name HB#)
 or (resi 52 and name HB)
 or (resi 53 and name HB)
 or (resi 58 and name HB#)
 or (resi 67 and name HG1)
 or (resi 71 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HE#) ) 2.76702 1.66021 1.006
assi ((resi 20 and name HB#) )((resi 16 and name HB#) ) 1.67942 1.00765 1.006
assi ((resi 68 and name HB#) )((resi 32 and name HB#) ) 4.11493 2.46896 1.006
assi ((resi 60 and name HD##) )((resi 32 and name HB#) ) 3.08325 1.84995 1.006
assi ((resi 79 and name HG#) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 10 and name HG)
 or (resi 32 and name HB#)
 or (resi 50 and name HB#)
 or (resi 52 and name HB)
 or (resi 53 and name HB)
 or (resi 58 and name HB#)
 or (resi 67 and name HG1)
 or (resi 71 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HE#) ) 2.97112 1.78267 1.006
assi ((resi 27 and name HD##) )((resi 31 and name HG#) ) 3.23259 1.93955 1.006
assi ((resi 5 and name HG#) )((resi 4 and name HB#) ) 3.60761 2.16457 1.006
assi ((resi 3 and name HD##) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 10 and name HG)
 or (resi 32 and name HB#)
 or (resi 40 and name HB#)
 or (resi 51 and name HB1)
 or (resi 52 and name HB)
 or (resi 67 and name HG1)
 or (resi 71 and name HB#)
 or (resi 79 and name HE#) ) 6.09405 3.65643 1.21881
assi ((resi 57 and name HG#) )((resi 57 and name HE#) ) 2.58289 1.54973 1.006
assi ((resi 53 and name HG##)  or (resi 81 and name HG2#) )((resi 21 and name HB#)
 or (resi 33 and name HB#)
 or (resi 45 and name HG2)
 or (resi 49 and name HB#)
 or (resi 50 and name HB#)
 or (resi 57 and name HE#)
 or (resi 67 and name HB2) ) 4.28216 2.5693 1.006
assi ((resi 13 and name HG##) )((resi 3 and name HB#) ) 2.56205 1.53723 1.006
assi ((resi 43 and name HB#) )((resi 40 and name HB#) ) 4.41224 2.64734 1.006
assi ((resi 43 and name HB#) )((resi 40 and name HB#) ) 3.01477 1.80886 1.006
assi ((resi 80 and name HG2#) )((resi 0 and name HE#)
 or (resi 5 and name HD#)
 or (resi 10 and name HB2)
 or (resi 11 and name HB)
 or (resi 11 and name HG1#)
 or (resi 29 and name HD#)
 or (resi 40 and name HB#)
 or (resi 44 and name HB2)
 or (resi 47 and name HB)
 or (resi 47 and name HG1#)
 or (resi 58 and name HG1)
 or (resi 89 and name HB#) ) 3.70925 2.22555 1.006
assi ((resi 47 and name HD1#) )((resi 0 and name HE#)
 or (resi 5 and name HD#)
 or (resi 10 and name HB2)
 or (resi 11 and name HB)
 or (resi 11 and name HG1#)
 or (resi 20 and name HB#)
 or (resi 29 and name HD#)
 or (resi 40 and name HB#)
 or (resi 44 and name HB2)
 or (resi 47 and name HB)
 or (resi 47 and name HG1#)
 or (resi 58 and name HG1)
 or (resi 89 and name HB#) ) 1.5961 0.957658 1.006
assi ((resi 69 and name HB1) )((resi 5 and name HD#)
 or (resi 6 and name HB#)
 or (resi 10 and name HB2)
 or (resi 11 and name HB)
 or (resi 26 and name HB#)
 or (resi 26 and name HD#)
 or (resi 28 and name HD#)
 or (resi 29 and name HD#)
 or (resi 36 and name HB)
 or (resi 39 and name HB#)
 or (resi 44 and name HB2)
 or (resi 45 and name HG1)
 or (resi 47 and name HG1#)
 or (resi 48 and name HB#)
 or (resi 60 and name HB#)
 or (resi 74 and name HB#) ) 3.50246 2.10148 1.006
assi ((resi 60 and name HB1) )((resi 60 and name HB2) ) 1.694 1.0164 1.006
assi ((resi 74 and name HB1) )((resi 74 and name HB2) ) 1.6835 1.0101 1.006
assi ((resi 31 and name HB2) )((resi 28 and name HB#) ) 4.27711 2.56627 1.006
assi ((resi 10 and name HD##) )((resi 6 and name HB#)
 or (resi 26 and name HB#)
 or (resi 26 and name HD#)
 or (resi 28 and name HD#)
 or (resi 36 and name HB)
 or (resi 39 and name HB#)
 or (resi 45 and name HG1)
 or (resi 48 and name HB#)
 or (resi 60 and name HB#)
 or (resi 60 and name HG)
 or (resi 74 and name HB#)
 or (resi 74 and name HE#)
 or (resi 77 and name HB) ) 2.13497 1.28098 1.006
assi ((resi 78 and name HB#) )((resi 6 and name HB#)
 or (resi 26 and name HD#)
 or (resi 33 and name HD1)
 or (resi 39 and name HB#)
 or (resi 45 and name HG1)
 or (resi 60 and name HB#)
 or (resi 60 and name HG)
 or (resi 74 and name HB#)
 or (resi 74 and name HE#)
 or (resi 77 and name HB) ) 2.38054 1.42832 1.006
assi ((resi 35 and name HD##) )((resi 77 and name HB) ) 1.62639 0.975833 1.006
assi ((resi 29 and name HG1) )((resi 29 and name HG2) ) 2.31353 1.38812 1.006
assi ((resi 68 and name HB#) )((resi 27 and name HG) ) 3.92368 2.35421 1.106
assi ((resi 68 and name HB#) )((resi 27 and name HG) ) 3.28108 1.96865 1.106
assi ((resi 57 and name HE#) )((resi 24 and name HB1)
 or (resi 27 and name HB#)
 or (resi 27 and name HG)
 or (resi 29 and name HG#)
 or (resi 32 and name HG)
 or (resi 33 and name HG1)
 or (resi 36 and name HG1#)
 or (resi 40 and name HG)
 or (resi 48 and name HD#)
 or (resi 78 and name HB#) ) 4.91051 2.9463 1.006
assi ((resi 79 and name HE#) )((resi 78 and name HB#) ) 5.70887 3.42532 1.14177
assi ((resi 74 and name HB1) )((resi 74 and name HB2) ) 1.81851 1.09111 1.006
assi ((resi 74 and name HE#) )((resi 74 and name HB#) ) 1.93994 1.16396 1.006
assi ((resi 72 and name HG1) )((resi 75 and name HB#) ) 3.98522 2.39113 1.006
assi ((resi 16 and name HB#) )((resi 13 and name HG##) ) 5.08889 3.05334 1.01778
assi ((resi 9 and name HB#) )((resi 13 and name HG##) ) 4.26084 2.5565 1.006
assi ((resi 76 and name HB#) )((resi 32 and name HD##) ) 4.19256 2.51554 1.006
assi ((resi 76 and name HB#) )((resi 32 and name HD##) ) 5.2361 3.14166 1.04722
assi ((resi 35 and name HD##) )((resi 13 and name HG##)
 or (resi 24 and name HD#)
 or (resi 32 and name HD##)
 or (resi 56 and name HG##) ) 2.73181 1.63909 1.006
assi ((resi 35 and name HD##) )((resi 7 and name HG2#)
 or (resi 13 and name HG##)
 or (resi 13 and name HG##)
 or (resi 24 and name HD#)
 or (resi 32 and name HD##)
 or (resi 56 and name HG##) ) 2.67033 1.6022 1.006
assi ((resi 52 and name HG##) )((resi 56 and name HG##) ) 1.99382 1.19629 1.006
assi ((resi 78 and name HB#) )((resi 7 and name HG2#) ) 4.69311 2.81586 1.006
assi ((resi 11 and name HG2#) )((resi 8 and name HG##) ) 2.5308 1.51848 1.006
assi ((resi 68 and name HB#)  )
    ((resi 29 and name HG#)
or (resi 32 and name HD##)
or (resi 47 and name HG1#) ) 5.5571 3.33426 1.11142
assi ((resi 36 and name HG2#) )((resi 56 and name HG##) ) 4.90211 2.94127 1.006
assi ((resi 47 and name HG21) )((resi 47 and name HG11) ) 1.53834 0.923003 1.006
assi ((resi 47 and name HD1#) )((resi 47 and name HG1#) ) 2.61007 1.56604 1.006
assi ((resi 36 and name HD1#) )((resi 32 and name HD##) ) 3.16745 1.90047 1.006
assi ((resi 51 and name HG#) )((resi 52 and name HG##) ) 3.45065 2.07039 1.006
assi ((resi 10 and name HB1) )((resi 10 and name HD##) ) 2.99096 1.79458 1.006
assi ((resi 12 and name HB#) )((resi 8 and name HG##) ) 4.63724 2.78234 1.006
assi ((resi 6 and name HB#) )((resi 10 and name HD##) ) 1.71538 1.02923 1.006
assi ((resi 9 and name HB#) )((resi 10 and name HD##) ) 2.0364 1.22184 1.006
assi ((resi 74 and name HE#) )((resi 7 and name HG1#)
 or (resi 10 and name HD##)
 or (resi 10 and name HD##)
 or (resi 47 and name HD1#)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 1.73618 1.04171 1.006
assi ((resi 10 and name HB2) )((resi 10 and name HD##) ) 1.84689 1.10813 1.006
assi ((resi 74 and name HG#) )((resi 10 and name HD##) ) 4.24737 2.54842 1.006
assi ((resi 57 and name HG#) )((resi 53 and name HG##) ) 2.72081 1.63249 1.006
assi ((resi 53 and name HB) )((resi 53 and name HG##) ) 0.922887 0.553732 1.17711
assi ((resi 78 and name HB#) )((resi 7 and name HG1#)
 or (resi 8 and name HG##)
 or (resi 10 and name HD##)
 or (resi 10 and name HD##)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 4.67458 2.80475 1.006
assi ((resi 11 and name HG2#) )((resi 7 and name HG1#)
 or (resi 10 and name HD##)
 or (resi 10 and name HD##)
 or (resi 24 and name HG#)
 or (resi 47 and name HD1#)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 2.60152 1.56091 1.006
assi ((resi 43 and name HB#) )((resi 80 and name HG2#) ) 4.17368 2.50421 1.006
assi ((resi 59 and name HG2#) )((resi 24 and name HG#)
 or (resi 32 and name HD##)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 52 and name HG##)
 or (resi 56 and name HG##) ) 3.82449 2.2947 1.006
assi ((resi 76 and name HB#) )((resi 32 and name HD##) ) 3.48384 2.0903 1.006
assi ((resi 76 and name HB#) )((resi 32 and name HD##) ) 3.3203 1.99218 1.006
assi ((resi 68 and name HB#) )((resi 32 and name HD##) ) 5.54598 3.32759 1.1092
assi ((resi 33 and name HD1)  or (resi 55 and name HD#) )((resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 52 and name HG##)
 or (resi 56 and name HG##) ) 2.1703 1.30218 1.006
assi ((resi 3 and name HD##)  )
    ((resi 32 and name HD##)
or (resi 35 and name HG)
or (resi 36 and name HG2#)
or (resi 40 and name HD##)
or (resi 52 and name HG##)
or (resi 56 and name HG##) ) 3.99419 2.39652 1.006
assi ((resi 60 and name HD##) )((resi 32 and name HD##) ) 2.16122 1.29673 1.006
assi ((resi 35 and name HD##) )((resi 35 and name HB#)
 or (resi 35 and name HG) ) 1.13077 0.678462 1.006
assi ((resi 60 and name HD##) )((resi 32 and name HD##) ) 2.45509 1.47306 1.006
assi ((resi 36 and name HD1#) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 52 and name HG##)
 or (resi 80 and name HD1#) ) 1.154 0.6924 1.006
assi ((resi 35 and name HB#) )((resi 35 and name HB#) ) 1.59585 0.957513 1.006
assi ((resi 47 and name HB) )((resi 47 and name HG2#) ) 1.56188 0.937128 1.006
assi ((resi 47 and name HG1#) )((resi 47 and name HG2#) ) 1.53743 0.922456 1.006
assi ((resi 13 and name HG##) )((resi 3 and name HD##) ) 2.73981 1.64389 1.006
assi ((resi 40 and name HB#) )((resi 40 and name HD##) ) 2.8567 1.71402 1.006
assi ((resi 43 and name HB#) )((resi 40 and name HD##) ) 3.57329 2.14398 1.006
assi ((resi 77 and name HB) )((resi 77 and name HG##) ) 2.412 1.4472 1.006
assi ((resi 35 and name HD##) )((resi 35 and name HD##) ) 2.18603 1.31162 1.006
assi ((resi 7 and name HG1#) )((resi 40 and name HD##) ) 1.83479 1.10087 1.006
assi ((resi 77 and name HG##) )((resi 77 and name HG##) ) 1.72757 1.03654 1.006
assi ((resi 13 and name HG##) )((resi 3 and name HD##) ) 2.73981 1.64389 1.006
assi ((resi 78 and name HB#) )((resi 77 and name HG##) ) 3.94844 2.36906 1.006
assi ((resi 74 and name HE#) )((resi 77 and name HG##) ) 2.24591 1.34754 1.006
assi ((resi 27 and name HB#) )((resi 27 and name HD##) ) 3.4662 2.07972 1.006
assi ((resi 27 and name HB#) )((resi 27 and name HD##) ) 1.55973 0.935838 1.006
assi ((resi 76 and name HB#)  )
    ((resi 27 and name HD##)
or (resi 27 and name HD##)
or (resi 35 and name HD##)
or (resi 36 and name HD1#)
or (resi 77 and name HG##) ) 4.40781 2.64469 1.006
assi ((resi 14 and name HB1)  or (resi 76 and name HB#)  )
    ((resi 27 and name HD##)
or (resi 27 and name HD##)
or (resi 36 and name HD1#)
or (resi 77 and name HG##) ) 4.27021 2.56213 1.006
assi ((resi 36 and name HB) )((resi 36 and name HD1#) ) 3.03144 1.81887 1.006
assi ((resi 31 and name HG#)  or (resi 80 and name HB)  )
    ((resi 27 and name HD##)
or (resi 27 and name HD##)
or (resi 35 and name HD##)
or (resi 36 and name HD1#)
or (resi 77 and name HG##) ) 5.45787 3.27472 1.09157
assi ((resi 68 and name HB#) )((resi 27 and name HD##) ) 4.71378 2.82827 1.006
assi ((resi 31 and name HB2) )((resi 27 and name HD##) ) 3.30454 1.98272 1.006
assi ((resi 36 and name HG2#) )((resi 36 and name HD1#) ) 2.14002 1.28401 1.006
assi ((resi 32 and name HD##)  )
    ((resi 27 and name HD##)
or (resi 27 and name HD##)
or (resi 36 and name HD1#)
or (resi 77 and name HG##) ) 2.43058 1.45835 1.006

assi ((resi 60 and name HB#) )((resi 60 and name HD##) ) 2.87853 1.72712 1.006
assi ((resi 33 and name HB#) )((resi 60 and name HD##) ) 3.76235 2.25741 1.006
assi ((resi 59 and name HG2#) )((resi 60 and name HD##) ) 3.23361 1.94017 1.006
assi ((resi 13 and name HG##) )((resi 35 and name HD##) ) 2.86597 1.71958 1.006
assi ((resi 77 and name HB) )((resi 77 and name HG##) ) 1.86903 1.12142 1.006
assi ((resi 7 and name HG1#) )((resi 77 and name HG##) ) 4.81878 2.89127 1.006
assi ((resi 77 and name HG##) )((resi 77 and name HG##) ) 1.78733 1.0724 1.006
assi ((resi 60 and name HB#) )((resi 60 and name HD##) ) 2.6419 1.58514 1.006
assi ((resi 60 and name HB#) )((resi 60 and name HD##) ) 3.39599 2.03759 1.006
assi ((resi 8 and name HB) )((resi 11 and name HG2#) ) 3.67 2.202 1.006
assi ((resi 29 and name HG#) )((resi 60 and name HD##) ) 3.91322 2.34793 1.006
assi ((resi 29 and name HG#) )((resi 60 and name HD##) ) 4.32805 2.59683 1.006
assi ((resi 32 and name HD##) )((resi 60 and name HD##) ) 2.34523 1.40714 1.006
assi ((resi 59 and name HG2#) )((resi 60 and name HD##) ) 3.51387 2.10832 1.006
assi ((resi 35 and name HA) )((resi 35 and name HD##) ) 4.45226 2.67136 1.006
assi ((resi 69 and name HA) )((resi 14 and name HZ) ) 2.73251 1.6395 1.006
assi ((resi 26 and name HA) )((resi 14 and name HZ) ) 3.37936 2.02762 1.106
assi ((resi 16 and name HA)  or (resi 79 and name HA) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 17 and name HN)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 3.99965 2.39979 1.006
assi ((resi 17 and name HA) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 17 and name HN)
 or (resi 43 and name HE#)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 2.71189 1.62713 1.006
assi ((resi 76 and name HA) )((resi 76 and name HD#) ) 3.12671 1.87603 1.006
assi ((resi 59 and name HB) )((resi 76 and name HD#) ) 3.72174 2.23304 1.006
assi ((resi 73 and name HA) )((resi 14 and name HZ)
 or (resi 17 and name HD#)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 5.63951 3.3837 1.1279
assi ((resi 82 and name HA) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 3.78349 2.27009 1.006
assi ((resi 82 and name HA) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 76 and name HD#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 3.80577 2.28346 1.006
assi ((resi 35 and name HA) )((resi 17 and name HE#) ) 3.96048 2.37629 1.006
assi ((resi 1 and name HB1) )((resi 1 and name HB2) ) 2.54779 1.52867 1.006
assi ((resi 19 and name HA#) )((resi 24 and name HA) ) 4.47956 2.68773 1.006
assi ((resi 19 and name HA#) )((resi 24 and name HA) ) 4.64663 2.78798 1.006
assi ((resi 27 and name HA) )((resi 18 and name HA) ) 2.79008 1.67405 1.006
assi ((resi 43 and name HA) )((resi 44 and name HA) ) 5.49222 3.29533 1.09844
assi ((resi 38 and name HA) )((resi 34 and name HA) ) 4.25414 2.55248 1.006
assi ((resi 61 and name HA) )((resi 62 and name HB#) ) 4.88134 2.9288 1.006
assi ((resi 35 and name HA)  or (resi 71 and name HA) )((resi 19 and name HA#)
 or (resi 20 and name HA)
 or (resi 32 and name HA)
 or (resi 47 and name HA)
 or (resi 59 and name HA)
 or (resi 62 and name HB#)
 or (resi 64 and name HA#)
 or (resi 72 and name HA)
 or (resi 75 and name HA)
 or (resi 78 and name HA)
 or (resi 82 and name HB) ) 4.11302 2.46781 1.006
assi ((resi 81 and name HB) )((resi 78 and name HA) ) 2.48456 1.49073 1.006
assi ((resi 24 and name HA) )((resi 19 and name HA#) ) 2.77462 1.66477 1.006
assi ((resi 66 and name HA1) )((resi 66 and name HA2) ) 1.2702 0.762121 1.006
assi ((resi 55 and name HA) )((resi 52 and name HA) ) 4.18095 2.50857 1.006
assi ((resi 81 and name HB) )((resi 81 and name HA) ) 3.44202 2.06521 1.006
assi ((resi 26 and name HA) )((resi 69 and name HB2) ) 4.56866 2.7412 1.006
assi ((resi 40 and name HA) )((resi 42 and name HB#)
 or (resi 43 and name HB#) ) 2.84893 1.70936 1.056
assi ((resi 78 and name HA) )((resi 4 and name HA)
 or (resi 11 and name HA)
 or (resi 42 and name HB#)
 or (resi 53 and name HA) ) 7.35261 4.41157 1.47052
assi ((resi 91 and name HA) )((resi 25 and name HB#)
 or (resi 43 and name HB#)
 or (resi 82 and name HA)
 or (resi 88 and name HB#) ) 3.40101 2.0406 1.006
assi ((resi 81 and name HA) )((resi 25 and name HB#)
 or (resi 43 and name HB#)
 or (resi 77 and name HA)
 or (resi 82 and name HA)
 or (resi 88 and name HB#) ) 7.57986 4.54792 1.51597
assi ((resi 69 and name HA) )((resi 14 and name HB1)
 or (resi 24 and name HE#)
 or (resi 26 and name HE#)
 or (resi 28 and name HE#)
 or (resi 38 and name HB#)
 or (resi 68 and name HB#)
 or (resi 76 and name HB#) ) 4.31772 2.59063 1.006
assi ((resi 42 and name HA) )((resi 48 and name HE#) ) 3.05019 1.83011 1.006
assi ((resi 10 and name HA)  or (resi 17 and name HA)  or (resi 51 and name HA) )((resi 16 and name HG#)
 or (resi 17 and name HB1)
 or (resi 23 and name HB#)
 or (resi 54 and name HB1)
 or (resi 61 and name HB#)
 or (resi 89 and name HG1) ) 1.42905 0.857431 1.006
assi ((resi 14 and name HA) )((resi 17 and name HB#) ) 1.42375 0.85425 1.006
assi ((resi 11 and name HA) )((resi 10 and name HB1) ) 3.96228 2.37737 1.006
assi ((resi 27 and name HA) )((resi 31 and name HB2) ) 4.92042 2.95225 1.006
assi ((resi 13 and name HA) )((resi 16 and name HB#) ) 2.93533 1.7612 1.006
assi ((resi 65 and name HA) )((resi 7 and name HB)
 or (resi 28 and name HB#)
 or (resi 31 and name HB1)
 or (resi 39 and name HB#)
 or (resi 50 and name HG#)
 or (resi 51 and name HG#)
 or (resi 56 and name HB)
 or (resi 63 and name HB#)
 or (resi 67 and name HB1)
 or (resi 67 and name HG2) ) 3.11388 1.86833 1.006
assi ((resi 67 and name HA) )((resi 67 and name HB1) ) 3.97251 2.3835 1.006
assi ((resi 68 and name HA) )((resi 72 and name HB1) ) 3.66224 2.19735 1.006
assi ((resi 45 and name HA) )((resi 45 and name HB#) ) 1.87905 1.12743 1.006
assi ((resi 42 and name HA) )((resi 45 and name HB#) ) 3.69582 2.21749 1.006
assi ((resi 13 and name HA) )((resi 13 and name HB) ) 2.20681 1.32409 1.006
assi ((resi 16 and name HA)  or (resi 79 and name HA) )((resi 16 and name HB#)
 or (resi 79 and name HB#) ) 1.46572 0.879431 1.006
assi ((resi 50 and name HA) )((resi 50 and name HB#)
 or (resi 53 and name HB) ) 2.50551 1.50331 1.006
assi ((resi 39 and name HA) )((resi 4 and name HB#) ) 3.5252 2.11512 1.006
assi ((resi 23 and name HA) )((resi 5 and name HD#)
 or (resi 6 and name HB#)
 or (resi 11 and name HB)
 or (resi 26 and name HB#)
 or (resi 26 and name HD#)
 or (resi 28 and name HD#)
 or (resi 36 and name HB)
 or (resi 39 and name HB#)
 or (resi 44 and name HB2)
 or (resi 45 and name HG1)
 or (resi 48 and name HB#)
 or (resi 60 and name HB#)
 or (resi 74 and name HB#)
 or (resi 74 and name HE#)
 or (resi 77 and name HB) ) 3.52644 2.11586 1.206
assi ((resi 1 and name HB#) )((resi 0 and name HE#) ) 5.40847 3.24508 1.08169
assi ((resi 51 and name HA) )((resi 55 and name HD#) ) 3.45502 2.07301 1.006
assi ((resi 47 and name HA) )((resi 47 and name HB) ) 2.58875 1.55325 1.006
assi ((resi 69 and name HA) )((resi 5 and name HD#)
 or (resi 6 and name HB#)
 or (resi 11 and name HB)
 or (resi 26 and name HB#)
 or (resi 26 and name HD#)
 or (resi 28 and name HD#)
 or (resi 36 and name HB)
 or (resi 39 and name HB#)
 or (resi 44 and name HB2)
 or (resi 45 and name HG1)
 or (resi 48 and name HB#)
 or (resi 60 and name HB#)
 or (resi 74 and name HB#)
 or (resi 74 and name HE#)
 or (resi 77 and name HB) ) 3.91045 2.34627 1.006
assi ((resi 75 and name HA) )((resi 74 and name HB#) ) 4.24113 2.54468 1.006
assi ((resi 67 and name HA) )((resi 28 and name HB#) ) 5.76205 3.45723 1.15241
assi ((resi 30 and name HA) )((resi 33 and name HB#) ) 2.54198 1.52519 1.006
assi ((resi 19 and name HA#) )((resi 20 and name HG#) ) 4.38754 2.63252 1.006
assi ((resi 19 and name HA#) )((resi 20 and name HG#) ) 3.37287 2.02372 1.106
assi ((resi 69 and name HA) )((resi 26 and name HD#) ) 4.65231 2.79139 1.006
assi ((resi 68 and name HA) )((resi 24 and name HB2)
 or (resi 26 and name HD#)
 or (resi 28 and name HG#)
 or (resi 55 and name HG#) ) 6.04393 3.62636 1.20879
assi ((resi 81 and name HB) )((resi 78 and name HB#) ) 5.1299 3.07794 1.02598
assi ((resi 69 and name HA) )((resi 26 and name HG#) ) 4.12898 2.47739 1.006
assi ((resi 9 and name HA) )((resi 13 and name HG##) ) 4.22522 2.53513 1.006
assi ((resi 8 and name HA) )((resi 8 and name HG##) ) 2.81644 1.68986 1.006
assi ((resi 13 and name HA) )((resi 13 and name HG##) ) 2.02738 1.21643 1.006
assi ((resi 73 and name HA) )((resi 32 and name HD##) ) 4.12729 2.47638 1.006
assi ((resi 6 and name HA) )((resi 10 and name HD##) ) 3.23634 1.9418 1.006
assi ((resi 10 and name HA) )((resi 10 and name HD##) ) 2.35959 1.41575 1.006
assi ((resi 5 and name HA) )((resi 7 and name HG1#) ) 4.1928 2.51568 1.006
assi ((resi 4 and name HA) )((resi 7 and name HG1#) ) 2.73053 1.63832 1.006
assi ((resi 82 and name HA) )((resi 81 and name HG2#) ) 5.13176 3.07905 1.02635
assi ((resi 53 and name HA) )((resi 53 and name HG##) ) 1.86319 1.11791 1.006
assi ((resi 59 and name HB) )((resi 32 and name HD##)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 52 and name HG##)
 or (resi 56 and name HG##) ) 4.22683 2.5361 1.006
assi ((resi 35 and name HA) )((resi 35 and name HG) ) 1.7276 1.03656 1.006
assi ((resi 73 and name HA) )((resi 32 and name HD##) ) 3.10417 1.8625 1.006
assi ((resi 29 and name HA) )((resi 32 and name HD##) ) 3.14472 1.88683 1.006
assi ((resi 39 and name HA) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#)
 or (resi 80 and name HD1#) ) 3.7618 2.25708 1.006
assi ((resi 37 and name HA)  or (resi 89 and name HA) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#)
 or (resi 80 and name HD1#) ) 2.21838 1.33103 1.006
assi ((resi 44 and name HA) )((resi 44 and name HD##) ) 1.50218 0.90131 1.006
assi ((resi 41 and name HA) )((resi 44 and name HD##) ) 2.97226 1.78336 1.006
assi ((resi 32 and name HA) )((resi 27 and name HD##)
 or (resi 27 and name HD##)
 or (resi 35 and name HD##)
 or (resi 36 and name HD1#)
 or (resi 40 and name HD##)
 or (resi 77 and name HG##) ) 1.9148 1.14888 1.006
assi ((resi 74 and name HA) )((resi 77 and name HG##) ) 4.12395 2.47437 1.006
assi ((resi 27 and name HA) )((resi 27 and name HD##) ) 2.8877 1.73262 1.006
assi ((resi 32 and name HA) )((resi 27 and name HD##)
 or (resi 27 and name HD##)
 or (resi 36 and name HD1#)
 or (resi 77 and name HG##) ) 2.06252 1.23751 1.006
assi ((resi 29 and name HA) )((resi 60 and name HD##) ) 3.63751 2.1825 1.006
assi ((resi 8 and name HA) )((resi 11 and name HG2#) ) 2.60111 1.56067 1.006
assi ((resi 59 and name HB) )((resi 60 and name HD##) ) 4.89835 2.93901 1.006
assi ((resi 32 and name HN) )((resi 28 and name HN) ) 3.61618 2.16971 0.723235
assi ((resi 66 and name HN) )((resi 29 and name HN) ) 4.38312 2.62987 0.876625
assi ((resi 68 and name HN) )((resi 29 and name HN) ) 4.05386 2.43232 0.810772
assi ((resi 37 and name HN) )((resi 39 and name HN) ) 4.68611 2.81166 0.937221
assi ((resi 16 and name HN) )((resi 15 and name HN) ) 3.64159 2.18495 0.728317
assi ((resi 14 and name HN) )((resi 15 and name HN) ) 3.31491 1.98895 0.662983
assi ((resi 17 and name HN) )((resi 15 and name HN) ) 4.74055 2.84433 0.94811
assi ((resi 49 and name HN) )((resi 48 and name HN) ) 3.00258 1.80155 0.65
assi ((resi 68 and name HN) )((resi 27 and name HN)
 or (resi 69 and name HN) ) 3.31659 1.98995 0.663317
assi ((resi 50 and name HE2#) )((resi 50 and name HN) ) 4.34518 2.60711 0.869036
assi ((resi 1 and name HN) )((resi 5 and name HN) ) 5.22166 3.133 1.04433
assi ((resi 29 and name HN) )((resi 32 and name HN) ) 4.66369 2.79821 0.932738
assi ((resi 69 and name HN) )((resi 72 and name HN) ) 4.2407 2.54442 0.84814
assi ((resi 15 and name HN) )((resi 16 and name HN) ) 3.82786 2.29672 0.765573
assi ((resi 79 and name HN) )((resi 77 and name HN) ) 3.78478 2.27087 0.756956
assi ((resi 79 and name HN) )((resi 76 and name HN) ) 3.70791 2.22475 0.741582
assi ((resi 1 and name HN) )((resi 4 and name HN) ) 4.82182 2.89309 0.964365
assi ((resi 60 and name HN) )((resi 59 and name HN)
 or (resi 61 and name HN) ) 2.59837 1.55902 0.65
assi ((resi 34 and name HN) )((resi 35 and name HN) ) 2.76141 1.65684 0.65
assi ((resi 62 and name HN) )((resi 61 and name HN) ) 2.833 1.6998 0.65
assi ((resi 17 and name HN) )((resi 19 and name HN) ) 4.01592 2.40955 0.803185
assi ((resi 30 and name HN) )((resi 33 and name HN) ) 4.47721 2.68633 0.895442
assi ((resi 36 and name HN) )((resi 37 and name HN) ) 2.45946 1.47567 0.65
assi ((resi 76 and name HN) )((resi 80 and name HN) ) 4.16049 2.49629 1.632097
assi ((resi 58 and name HN) )((resi 55 and name HN) ) 4.85397 2.91238 0.970793
assi ((resi 48 and name HN) )((resi 47 and name HN)
 or (resi 49 and name HN) ) 2.97014 1.78209 0.65
assi ((resi 78 and name HN) )((resi 75 and name HN) ) 3.82777 2.29666 0.765554
assi ((resi 44 and name HN) )((resi 45 and name HN) ) 3.35598 2.01359 0.671197
assi ((resi 18 and name HN) )((resi 17 and name HN) ) 4.29734 2.57841 0.859469
assi ((resi 78 and name HN) )((resi 76 and name HD#) ) 6.77759 4.06655 1.35552
assi ((resi 14 and name HN) )((resi 17 and name HD#) ) 4.14771 2.48863 0.829542
assi ((resi 79 and name HN) )((resi 76 and name HD#) ) 3.87264 2.32359 0.774529
assi ((resi 71 and name HN) )((resi 14 and name HZ) ) 4.03159 2.41895 1.006317
assi ((resi 35 and name HN) )((resi 17 and name HD#) ) 3.07183 1.8431 1.09
assi ((resi 73 and name HN) )((resi 14 and name HZ) ) 4.25983 2.5559 0.851965
assi ((resi 77 and name HN) )((resi 76 and name HD#) ) 4.61847 2.77108 0.923695
assi ((resi 55 and name HN) )((resi 52 and name HN) ) 4.33176 2.59906 0.866352
assi ((resi 28 and name HN) )((resi 31 and name HN) ) 4.15526 2.49316 0.831052
assi ((resi 77 and name HN) )((resi 73 and name HE#) ) 4.87011 2.92207 0.974023
assi ((resi 71 and name HN) )((resi 14 and name HE#) ) 3.58422 2.15053 1.316845
assi ((resi 26 and name HN) )((resi 14 and name HE#) ) 2.9055 1.7433 1.25
assi ((resi 74 and name HN) )((resi 73 and name HD#) ) 3.14615 1.88769 0.65
assi ((resi 35 and name HN) )((resi 17 and name HE#) ) 4.25581 2.55349 0.851163
assi ((resi 38 and name HD2#) )((resi 17 and name HE#) ) 3.71013 2.22608 0.742026
assi ((resi 71 and name HN) )((resi 69 and name HA) ) 4.36604 2.61963 0.873209
assi ((resi 26 and name HN) )((resi 26 and name HA) ) 3.34262 2.00557 0.668524
assi ((resi 38 and name HN) )((resi 39 and name HA) ) 4.86316 2.9179 0.972632
assi ((resi 31 and name HN) )((resi 28 and name HA) ) 3.90364 2.34218 0.780728
assi ((resi 66 and name HN) )((resi 65 and name HA) ) 4.04788 2.42873 0.809575
assi ((resi 27 and name HN) )((resi 27 and name HA) ) 3.22756 1.93654 0.65
assi ((resi 75 and name HN) )((resi 73 and name HA) ) 2.96232 1.77739 1.206
assi ((resi 81 and name HN) )((resi 81 and name HB) ) 2.69823 1.61894 0.65
assi ((resi 78 and name HN) )((resi 76 and name HA) ) 3.36962 2.02177 0.673923
assi ((resi 9 and name HN) )((resi 9 and name HA) ) 2.70103 1.62062 0.65
assi ((resi 10 and name HN) )((resi 9 and name HA) ) 3.09087 1.85452 0.65
assi ((resi 80 and name HN) )((resi 76 and name HA) ) 3.5806 2.14836 0.716119
assi ((resi 1 and name HN) )((resi 1 and name HB#) ) 4.55568 2.73341 0.911136
assi ((resi 25 and name HN) )((resi 24 and name HA) ) 3.66598 2.19959 0.733196
assi ((resi 29 and name HN) )((resi 10 and name HA)
 or (resi 17 and name HA)
 or (resi 30 and name HA)
 or (resi 55 and name HA)
 or (resi 66 and name HA#) ) 4.68437 2.81062 0.936875
assi ((resi 20 and name HE) )((resi 17 and name HA) ) 5.00744 3.00446 1.006
assi ((resi 53 and name HN) )((resi 51 and name HA) ) 4.51352 2.70811 0.902705
assi ((resi 3 and name HN) )((resi 3 and name HA) ) 2.54354 1.52613 0.65
assi ((resi 26 and name HN) )((resi 18 and name HA) ) 4.43844 2.66306 0.887688
assi ((resi 35 and name HN) )((resi 32 and name HA) ) 3.26949 1.96169 0.653898
assi ((resi 38 and name HN) )((resi 34 and name HA) ) 3.7364 2.24184 0.74728
assi ((resi 38 and name HD2#) )((resi 34 and name HA) ) 4.65955 2.79573 0.93191
assi ((resi 75 and name HN) )((resi 75 and name HA) ) 2.75033 1.6502 0.65
assi ((resi 76 and name HN) )((resi 72 and name HA)
 or (resi 75 and name HA) ) 3.31486 1.98892 0.662972
assi ((resi 78 and name HN) )((resi 78 and name HA) ) 2.93607 1.76164 0.65
assi ((resi 63 and name HN)  or (resi 83 and name HN) )((resi 62 and name HB#)
 or (resi 82 and name HB) ) 3.04212 1.82527 0.65
assi ((resi 21 and name HN) )((resi 19 and name HA#)
 or (resi 20 and name HA) ) 3.83173 2.29904 0.766346
assi ((resi 9 and name HN) )((resi 5 and name HA) ) 3.2693 1.96158 1.05386
assi ((resi 42 and name HN) )((resi 41 and name HA)
 or (resi 41 and name HB1) ) 4.25584 2.5535 0.851168
assi ((resi 41 and name HN) )((resi 41 and name HA)
 or (resi 41 and name HB1) ) 2.42864 1.45718 0.65
assi ((resi 17 and name HN) )((resi 16 and name HA) ) 3.48408 2.09045 0.696816
assi ((resi 71 and name HE2#) )((resi 13 and name HA)
 or (resi 16 and name HA)
 or (resi 22 and name HA#)
 or (resi 41 and name HA)
 or (resi 64 and name HA#)
 or (resi 66 and name HA#) ) 3.88349 2.20409 0.777697
assi ((resi 33 and name HN) )((resi 29 and name HA) ) 3.77113 2.26268 0.754227
assi ((resi 9 and name HN) )((resi 7 and name HA) ) 3.55069 2.13041 0.710137
assi ((resi 50 and name HE2#) )((resi 50 and name HA) ) 4.56819 2.74092 0.913639
assi ((resi 6 and name HN) )((resi 7 and name HA) ) 4.39327 2.63596 0.878655
assi ((resi 53 and name HN) )((resi 50 and name HA) ) 3.35573 2.01344 0.671146
assi ((resi 58 and name HN) )((resi 56 and name HA) ) 3.94692 2.36815 0.789385
assi ((resi 26 and name HN) )((resi 18 and name HB2) ) 4.03579 2.42147 0.807157
assi ((resi 17 and name HN) )((resi 14 and name HA) ) 3.32426 1.99456 1.006
assi ((resi 36 and name HN) )((resi 33 and name HA)
 or (resi 35 and name HA) ) 3.04273 1.82564 0.65
assi ((resi 37 and name HN) )((resi 33 and name HA) ) 3.52562 2.11537 0.705124
assi ((resi 75 and name HN) )((resi 71 and name HA) ) 3.2931 1.97586 0.65862
assi ((resi 74 and name HN) )((resi 71 and name HA) ) 3.30253 1.98152 0.660506
assi ((resi 39 and name HN) )((resi 35 and name HA) ) 4.07499 2.445 0.814999
assi ((resi 38 and name HD2#) )((resi 35 and name HA) ) 4.67384 2.8043 0.934768
assi ((resi 43 and name HN) )((resi 43 and name HB#) ) 2.95814 1.77488 0.65
assi ((resi 57 and name HN) )((resi 53 and name HA) ) 3.77903 2.26742 0.755806
assi ((resi 81 and name HN) )((resi 77 and name HA) ) 3.71233 2.2274 0.742465
assi ((resi 35 and name HN) )((resi 36 and name HA) ) 5.48168 3.28901 1.09634
assi ((resi 73 and name HN) )((resi 73 and name HB#) ) 2.37445 1.42467 0.65
assi ((resi 40 and name HN) )((resi 36 and name HA) ) 3.02178 1.81307 0.65
assi ((resi 20 and name HE) )((resi 20 and name HD#) ) 3.68923 2.21354 1.006
assi ((resi 15 and name HN) )((resi 14 and name HB2) ) 2.84354 1.70612 0.65
assi ((resi 38 and name HD2#) )((resi 38 and name HB#) ) 3.59777 2.15866 0.719554
assi ((resi 38 and name HD2#) )((resi 38 and name HB#) ) 3.68707 2.21224 0.737415
assi ((resi 69 and name HN) )((resi 68 and name HB#) ) 3.41642 2.04985 0.683283
assi ((resi 27 and name HN) )((resi 68 and name HB#) ) 5.65212 3.39127 1.13042
assi ((resi 29 and name HN) )((resi 24 and name HE#)
 or (resi 26 and name HE#)
 or (resi 28 and name HE#)
 or (resi 68 and name HB#) ) 5.44818 3.26891 1.08964
assi ((resi 31 and name HN) )((resi 28 and name HE#) ) 5.04387 3.02632 1.00877
assi ((resi 26 and name HN) )((resi 26 and name HE#) ) 5.43616 3.2617 1.08723
assi ((resi 6 and name HN) )((resi 5 and name HE#) ) 5.14257 3.08554 1.02851
assi ((resi 9 and name HN) )((resi 12 and name HB#) ) 3.97071 2.38243 0.794142
assi ((resi 11 and name HN) )((resi 12 and name HB#) ) 4.9015 2.9409 0.980301
assi ((resi 55 and name HN) )((resi 57 and name HG#) ) 4.43073 2.65844 0.886147
assi ((resi 37 and name HD2#) )((resi 33 and name HE#) ) 4.48545 2.69127 0.897089
assi ((resi 8 and name HN) )((resi 5 and name HE#) ) 6.60414 3.96248 1.32083
assi ((resi 34 and name HN) )((resi 5 and name HE#)
 or (resi 12 and name HB#)
 or (resi 30 and name HB1)
 or (resi 33 and name HE#)
 or (resi 57 and name HG#)
 or (resi 84 and name HB#)
 or (resi 88 and name HB#) ) 5.73781 3.44268 1.14756
assi ((resi 83 and name HN) )((resi 84 and name HB#) ) 4.95059 2.97036 0.990118
assi ((resi 29 and name HN) )((resi 29 and name HE#) ) 3.94575 2.36745 0.78915
assi ((resi 75 and name HN) )((resi 76 and name HB#) ) 4.539 2.7234 0.9078
assi ((resi 75 and name HN) )((resi 76 and name HB#) ) 4.91926 2.95155 0.983851
assi ((resi 30 and name HN) )((resi 29 and name HE#) ) 7.35523 4.41314 1.47105
assi ((resi 67 and name HN) )((resi 12 and name HB#)
 or (resi 29 and name HE#)
 or (resi 38 and name HB#)
 or (resi 57 and name HG#)
 or (resi 65 and name HB#)
 or (resi 76 and name HB#)
 or (resi 84 and name HB#) ) 4.28154 2.56893 0.856309
assi ((resi 46 and name HN) )((resi 48 and name HE#) ) 4.59301 2.7558 0.918601
assi ((resi 72 and name HN) )((resi 37 and name HB#)
 or (resi 38 and name HB#)
 or (resi 48 and name HE#)
 or (resi 68 and name HB#)
 or (resi 69 and name HB1) ) 3.22822 1.93693 0.75
assi ((resi 34 and name HN) )((resi 37 and name HB#) ) 7.26503 4.35902 1.45301
assi ((resi 45 and name HN) )((resi 48 and name HE#) ) 3.16131 1.89679 0.65
assi ((resi 71 and name HN) )((resi 69 and name HB1) ) 3.07898 1.84739 1.05
assi ((resi 26 and name HN) )((resi 23 and name HB#) ) 3.59613 2.15768 0.719225
assi ((resi 25 and name HN) )((resi 23 and name HB#) ) 3.84584 2.3075 0.769168
assi ((resi 53 and name HN) )((resi 54 and name HB1) ) 4.3948 2.63688 0.878961
assi ((resi 52 and name HN) )((resi 54 and name HB1) ) 3.75481 2.25289 0.750963
assi ((resi 60 and name HN) )((resi 61 and name HB#) ) 3.70212 2.22127 0.740424
assi ((resi 9 and name HN) )((resi 10 and name HB2) ) 4.78341 2.87005 0.956682
assi ((resi 7 and name HN) )((resi 4 and name HG#) ) 4.54367 2.7262 0.908734
assi ((resi 28 and name HN) )((resi 31 and name HB2) ) 3.36745 2.02047 0.673491
assi ((resi 30 and name HN) )((resi 31 and name HB2) ) 4.49699 2.69819 0.899397
assi ((resi 33 and name HN) )((resi 31 and name HB2) ) 6.77259 4.06355 1.35452
assi ((resi 70 and name HN) )((resi 2 and name HG#)
 or (resi 18 and name HB1)
 or (resi 34 and name HG1)
 or (resi 72 and name HG1) ) 3.14252 1.88551 0.65
assi ((resi 71 and name HN) )((resi 72 and name HG1) ) 3.69695 2.21817 0.93939
assi ((resi 71 and name HE2#) )((resi 72 and name HG1) ) 3.31301 1.9878 0.762602
assi ((resi 71 and name HE2#) )((resi 72 and name HG1) ) 3.36991 2.02195 0.673983
assi ((resi 2 and name HN) )((resi 2 and name HG#) ) 2.86909 1.72146 0.65
assi ((resi 26 and name HN) )((resi 18 and name HB1) ) 4.34084 2.6045 0.868168
assi ((resi 50 and name HE2#) )((resi 50 and name HG#) ) 3.06287 1.83772 0.65
assi ((resi 50 and name HE2#) )((resi 50 and name HG#) ) 2.72095 1.63257 0.65
assi ((resi 28 and name HN) )((resi 28 and name HB#) ) 3.07676 1.84605 0.65
assi ((resi 53 and name HN) )((resi 56 and name HB) ) 3.73267 2.2396 0.746535
assi ((resi 29 and name HN) )((resi 29 and name HB#) ) 2.88669 1.73201 0.65
assi ((resi 6 and name HN) )((resi 7 and name HB) ) 3.48465 2.09079 0.696931
assi ((resi 69 and name HN) )((resi 72 and name HB1) ) 2.8479 1.70874 0.75
assi ((resi 55 and name HN) )((resi 51 and name HG#) ) 3.52584 2.1155 0.705168
assi ((resi 20 and name HN)  or (resi 52 and name HN)  or (resi 76 and name HZ) )((resi 7 and name HB)
 or (resi 28 and name HB#)
 or (resi 29 and name HB#)
 or (resi 31 and name HB1)
 or (resi 49 and name HG#)
 or (resi 51 and name HG#)
 or (resi 56 and name HB)
 or (resi 57 and name HB#)
 or (resi 63 and name HB#)
 or (resi 67 and name HB1)
 or (resi 72 and name HB1) ) 3.04234 1.82541 0.65
assi ((resi 38 and name HN) )((resi 34 and name HB#) ) 5.01544 3.00927 1.00309
assi ((resi 66 and name HN) )((resi 29 and name HB#) ) 5.22432 3.13459 1.04486
assi ((resi 44 and name HN) )((resi 45 and name HB#) ) 3.44891 2.06935 0.689782
assi ((resi 60 and name HN) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 21 and name HB#)
 or (resi 32 and name HB#)
 or (resi 50 and name HB#)
 or (resi 52 and name HB)
 or (resi 53 and name HB)
 or (resi 58 and name HB#)
 or (resi 71 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HB#)
 or (resi 79 and name HE#) ) 3.94623 2.36774 0.789245
assi ((resi 78 and name HN) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 10 and name HG)
 or (resi 32 and name HB#)
 or (resi 50 and name HB#)
 or (resi 52 and name HB)
 or (resi 53 and name HB)
 or (resi 58 and name HB#)
 or (resi 67 and name HG1)
 or (resi 71 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HE#) ) 3.77525 2.26515 0.95505
assi ((resi 69 and name HN) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 10 and name HG)
 or (resi 32 and name HB#)
 or (resi 50 and name HB#)
 or (resi 52 and name HB)
 or (resi 53 and name HB)
 or (resi 58 and name HB#)
 or (resi 67 and name HG1)
 or (resi 71 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HE#) ) 3.52921 2.11752 0.705841
assi ((resi 75 and name HN) )((resi 71 and name HB#) ) 4.76373 2.85824 0.952745
assi ((resi 63 and name HN)  or (resi 83 and name HN) )((resi 2 and name HB#)
 or (resi 4 and name HB#)
 or (resi 10 and name HG)
 or (resi 32 and name HB#)
 or (resi 50 and name HB#)
 or (resi 52 and name HB)
 or (resi 53 and name HB)
 or (resi 58 and name HB#)
 or (resi 67 and name HG1)
 or (resi 71 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HE#) ) 3.83621 2.30172 0.767241
assi ((resi 53 and name HN) )((resi 53 and name HB) ) 2.51933 1.5116 0.65
assi ((resi 71 and name HN) )((resi 71 and name HB#) ) 1.67557 1.00534 0.65
assi ((resi 28 and name HN) )((resi 31 and name HG#) ) 3.81648 2.28989 0.763297
assi ((resi 20 and name HE) )((resi 20 and name HB#) ) 3.11767 1.8706 1.006
assi ((resi 63 and name HN)  or (resi 83 and name HN) )((resi 0 and name HE#)
 or (resi 4 and name HB#)
 or (resi 11 and name HG1#)
 or (resi 20 and name HB#)
 or (resi 21 and name HB#)
 or (resi 47 and name HB)
 or (resi 58 and name HG1)
 or (resi 89 and name HB#)
 or (resi 91 and name HB#) ) 7.82014 4.69209 1.56403
assi ((resi 10 and name HN) )((resi 10 and name HB2) ) 2.32979 1.39787 0.65
assi ((resi 42 and name HN) )((resi 40 and name HB#) ) 5.0502 3.03012 1.01004
assi ((resi 1 and name HN) )((resi 0 and name HE#) ) 3.2499 1.94994 0.65
assi ((resi 43 and name HN) )((resi 40 and name HB#) ) 3.97363 2.38418 0.794726
assi ((resi 75 and name HN) )((resi 74 and name HB#) ) 2.71588 1.62953 0.65
assi ((resi 74 and name HN) )((resi 74 and name HB#) ) 2.66057 1.59634 0.65
assi ((resi 26 and name HN) )((resi 26 and name HB#)
 or (resi 26 and name HD#) ) 2.90318 1.74191 0.65
assi ((resi 61 and name HN) )((resi 60 and name HB#) ) 2.53862 1.52317 0.65
assi ((resi 62 and name HN) )((resi 60 and name HB#) ) 3.87242 2.32345 0.774483
assi ((resi 30 and name HN) )((resi 28 and name HB#) ) 2.84219 1.70531 0.65
assi ((resi 31 and name HN) )((resi 28 and name HB#) ) 3.06166 1.837 0.65
assi ((resi 32 and name HN) )((resi 28 and name HB#) ) 3.48328 2.08997 0.696656
assi ((resi 20 and name HE) )((resi 20 and name HG#) ) 4.9949 2.99694 1.006
assi ((resi 26 and name HN) )((resi 26 and name HD#) ) 3.76901 2.2614 0.753801
assi ((resi 68 and name HN) )((resi 24 and name HB1)
 or (resi 26 and name HD#)
 or (resi 27 and name HB#)
 or (resi 29 and name HG#)
 or (resi 32 and name HG)
 or (resi 36 and name HG1#)
 or (resi 40 and name HG)
 or (resi 48 and name HD#) ) 4.18495 2.51097 0.83699
assi ((resi 67 and name HN) )((resi 29 and name HG#) ) 4.88232 2.92939 0.976464
assi ((resi 76 and name HN) )((resi 32 and name HG) ) 6.86785 4.12071 1.37357
assi ((resi 77 and name HN) )((resi 27 and name HB#)
 or (resi 27 and name HG)
 or (resi 32 and name HG)
 or (resi 33 and name HG1)
 or (resi 36 and name HG1#)
 or (resi 40 and name HG)
 or (resi 48 and name HD#)
 or (resi 78 and name HB#) ) 3.36612 2.01967 0.673224
assi ((resi 13 and name HN) )((resi 13 and name HG##) ) 2.40491 1.44295 0.65
assi ((resi 77 and name HN) )((resi 75 and name HB#) ) 3.41665 2.04999 0.683331
assi ((resi 4 and name HN) )((resi 7 and name HG2#)
 or (resi 13 and name HG##)
 or (resi 13 and name HG##)
 or (resi 75 and name HB#) ) 3.37288 2.02373 0.674576
assi ((resi 71 and name HE2#) )((resi 75 and name HB#) ) 4.33417 2.6005 0.866835
assi ((resi 16 and name HE2#) )((resi 13 and name HG##) ) 4.80824 2.88495 0.961649
assi ((resi 6 and name HN)  )
    ((resi 7 and name HG2#)
or (resi 13 and name HG##)
or (resi 13 and name HG##)
or (resi 24 and name HD#)
or (resi 56 and name HG##)
or (resi 75 and name HB#) ) 4.91561 2.94936 0.983121
assi ((resi 14 and name HN) )((resi 13 and name HG##) ) 2.89061 1.73436 0.65
assi ((resi 81 and name HN) )((resi 7 and name HG2#) ) 5.17326 3.10396 1.03465
assi ((resi 55 and name HN) )((resi 56 and name HG##) ) 3.66418 2.19851 0.732835
assi ((resi 80 and name HN) )((resi 56 and name HG##) ) 4.61176 2.76705 0.922351
assi ((resi 51 and name HN) )((resi 52 and name HG##) ) 3.61949 2.1717 0.723898
assi ((resi 1 and name HN) )((resi 3 and name HD##) ) 4.64515 2.78709 0.92903
assi ((resi 6 and name HN) )((resi 7 and name HG1#)
 or (resi 10 and name HD##)
 or (resi 10 and name HD##) ) 3.41434 2.0486 0.682868
assi ((resi 14 and name HN) )((resi 10 and name HD##) ) 5.03827 3.02296 1.00765
assi ((resi 54 and name HN) )((resi 53 and name HG##) ) 2.66344 1.59806 0.65
assi ((resi 10 and name HN) )((resi 10 and name HD##) ) 2.73971 1.64382 0.65
assi ((resi 53 and name HN) )((resi 53 and name HG##) ) 2.43192 1.45915 0.65
assi ((resi 84 and name HN) )((resi 10 and name HD##)
 or (resi 24 and name HG#)
 or (resi 47 and name HD1#)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 3.47758 2.08655 0.695516
assi ((resi 78 and name HN) )((resi 10 and name HD##)
 or (resi 24 and name HG#)
 or (resi 47 and name HD1#)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 3.44751 2.06851 0.989502
assi ((resi 63 and name HN)  or (resi 83 and name HN) )((resi 24 and name HG#)
 or (resi 52 and name HG##)
 or (resi 56 and name HG##)
 or (resi 80 and name HG2#) ) 3.0728 1.84368 0.65
assi ((resi 60 and name HN) )((resi 56 and name HG##) ) 3.8233 2.29398 0.764659
assi ((resi 59 and name HN) )((resi 56 and name HG##) ) 4.26787 2.56072 0.853574
assi ((resi 35 and name HN) )((resi 35 and name HB#) ) 2.56725 1.54035 0.65
assi ((resi 33 and name HN) )((resi 32 and name HD##) ) 4.04982 2.42989 0.809963
assi ((resi 76 and name HN) )((resi 32 and name HD##) ) 3.7941 2.27646 0.75882
assi ((resi 46 and name HN) )((resi 47 and name HG2#) ) 4.14399 2.48639 0.828797
assi ((resi 34 and name HN)  )
    ((resi 3 and name HD##)
or (resi 32 and name HD##)
or (resi 35 and name HB#)
or (resi 35 and name HG)
or (resi 36 and name HG2#)
or (resi 40 and name HD##)
or (resi 44 and name HD##)
or (resi 44 and name HD##)
or (resi 47 and name HG2#) ) 4.06987 2.44192 0.813974
assi ((resi 45 and name HN) )((resi 44 and name HD##) ) 3.31104 1.98662 0.662207
assi ((resi 17 and name HD#)  or (resi 17 and name HN) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#) ) 3.83768 2.30261 1.006
assi ((resi 44 and name HN) )((resi 44 and name HD##) ) 2.49545 1.49727 0.65
assi ((resi 38 and name HN) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#) ) 3.40927 2.04556 0.681854
assi ((resi 39 and name HN) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#) ) 3.77936 2.26761 0.755871
assi ((resi 4 and name HN) )((resi 35 and name HD##)
 or (resi 40 and name HD##)
 or (resi 77 and name HG##) ) 4.24569 2.54742 0.849139
assi ((resi 81 and name HN) )((resi 35 and name HD##)
 or (resi 40 and name HD##)
 or (resi 77 and name HG##) ) 3.96941 2.38164 0.793881
assi ((resi 7 and name HN) )((resi 35 and name HD##)
 or (resi 40 and name HD##)
 or (resi 77 and name HG##) ) 3.80446 2.28267 0.760891
assi ((resi 31 and name HN) )((resi 27 and name HD##) ) 4.15883 2.4953 0.831766
assi ((resi 28 and name HN) )((resi 27 and name HD##) ) 3.49972 2.09983 0.699944
assi ((resi 32 and name HN) )((resi 27 and name HD##) ) 3.06555 1.83933 0.65
assi ((resi 74 and name HN) )((resi 77 and name HG##) ) 4.11953 2.47172 0.823907
assi ((resi 34 and name HN) )((resi 36 and name HD1#) ) 4.70389 2.82233 0.940778
assi ((resi 80 and name HN) )((resi 77 and name HG##) ) 4.28357 2.57014 0.856715
assi ((resi 68 and name HN) )((resi 27 and name HD##) ) 4.39055 2.63433 0.87811
assi ((resi 27 and name HN) )((resi 27 and name HD##) ) 3.73312 2.23987 0.746624
assi ((resi 17 and name HN) )((resi 27 and name HD##) ) 3.88077 2.32846 0.776153
assi ((resi 33 and name HN) )((resi 60 and name HD##) ) 2.93701 1.76221 0.65
assi ((resi 34 and name HN) )((resi 35 and name HD##)
 or (resi 60 and name HD##) ) 4.46166 2.677 0.892332
assi ((resi 57 and name HN) )((resi 60 and name HD##) ) 4.73253 2.83952 0.946506
assi ((resi 14 and name HN) )((resi 35 and name HD##) ) 5.15773 3.09464 1.03155
assi ((resi 74 and name HN) )((resi 77 and name HG##) ) 4.49003 2.69402 0.898006
assi ((resi 32 and name HN) )((resi 60 and name HD##) ) 4.71162 2.82697 0.942323
assi ((resi 33 and name HN) )((resi 60 and name HD##) ) 6.12031 3.67218 1.22406
assi ((resi 9 and name HN) )((resi 11 and name HG2#)
 or (resi 11 and name HG1#)
 or (resi 60 and name HD##) ) 4.81345 2.88807 0.962689
!THESE NOES BELOW ARE FROM NEWDEL.DAT which is the least violated NOEs from
!the file ../ambig/del2.dat, a list of the deleted NOEs in ambq.dat
assi ((resi 56 and name HG##) )((resi 0 and name HE#)
 or (resi 3 and name HB#)
 or (resi 11 and name HG1#)
 or (resi 20 and name HB#)
 or (resi 40 and name HB#)
 or (resi 47 and name HB)
 or (resi 58 and name HG1)
 or (resi 79 and name HB#)
 or (resi 91 and name HB#) ) 3.08113 1.84868 1.006
assi ((resi 52 and name HG##) )((resi 79 and name HA) ) 5.09737 3.05842 1.01947
assi ((resi 14 and name HA) )((resi 14 and name HE#)
 or (resi 73 and name HE#) ) 2.34331 1.40598 1.406
assi ((resi 56 and name HG##) )((resi 80 and name HG2#) ) 0.860419 0.516252 1.23958
assi ((resi 80 and name HG2#) )((resi 36 and name HD1#) ) 3.88532 2.33119 1.006
assi ((resi 4 and name HA)  or (resi 42 and name HB#) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 16 and name HE2#)
 or (resi 17 and name HD#)
 or (resi 17 and name HN)
 or (resi 43 and name HE#)
 or (resi 45 and name HN)
 or (resi 63 and name HN)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 3.33286 1.99972 1.006
assi ((resi 31 and name HN) )((resi 32 and name HB#) ) 3.4778 2.08668 0.695559
assi ((resi 77 and name HG##) )((resi 32 and name HD##)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 52 and name HG##)
 or (resi 56 and name HG##) ) 1.85565 1.11339 1.006
assi ((resi 82 and name HA) )((resi 5 and name HE#)
 or (resi 12 and name HB#)
 or (resi 33 and name HE#)
 or (resi 55 and name HE#)
 or (resi 84 and name HB#)
 or (resi 88 and name HB#) ) 3.43628 2.06177 1.006
assi ((resi 77 and name HN) )((resi 32 and name HD##) ) 3.08786 1.85271 0.65
assi ((resi 38 and name HN) )((resi 39 and name HB#) ) 3.70251 2.2215 0.740501
assi ((resi 3 and name HD##) )((resi 73 and name HE#) ) 2.39447 1.43668 1.006
assi ((resi 9 and name HB#) )((resi 2 and name HG#) ) 4.24359 2.54615 1.006

assi ((resi 47 and name HD1#) )((resi 50 and name HB#) ) 3.69175 2.21505 1.006
assi ((resi 79 and name HB#) )((resi 56 and name HG##) ) 3.8909 2.33454 1.006
assi ((resi 83 and name HB#) )((resi 52 and name HG##) ) 1.30608 0.783645 1.006
assi ((resi 56 and name HG##) )((resi 60 and name HD##) ) 1.93738 1.16243 1.006
assi ((resi 40 and name HD##) )((resi 4 and name HA)
 or (resi 42 and name HB#)
 or (resi 53 and name HA) ) 2.15533 1.2932 1.006
assi ((resi 35 and name HD##) )((resi 31 and name HB1) ) 3.26166 1.95699 1.006
assi ((resi 3 and name HD##) )((resi 77 and name HG##) ) 3.56678 2.14007 1.006
!!The end of the NOEs from newdel.dat
!!Below are the NOEs from del2.dat added on 02 10 96
assi ((resi 49 and name HG#) )((resi 48 and name HD#) ) 4.1408 2.48448 1.006
assi ((resi 46 and name HG#) )((resi 56 and name HG##) ) 4.09318 2.45591 1.006
assi ((resi 79 and name HG#) )((resi 56 and name HG##) ) 4.78949 2.87369 1.006
assi ((resi 77 and name HG##) )((resi 7 and name HG1#)
 or (resi 8 and name HG##)
 or (resi 10 and name HD##)
 or (resi 10 and name HD##)
 or (resi 81 and name HG2#) ) 1.88913 1.13348 1.006
assi ((resi 9 and name HB#) )((resi 2 and name HB#) ) 2.79866 1.6792 1.006
assi ((resi 71 and name HE2#) )((resi 13 and name HA)
 or (resi 16 and name HA)
 or (resi 22 and name HA#)
 or (resi 41 and name HA)
 or (resi 41 and name HB1)
 or (resi 64 and name HA#)
 or (resi 66 and name HA#) ) 3.88692 2.33215 0.777383
assi ((resi 56 and name HA) )((resi 14 and name HZ)
 or (resi 15 and name HD2)
 or (resi 17 and name HD#)
 or (resi 17 and name HN)
 or (resi 43 and name HE#)
 or (resi 63 and name HN)
 or (resi 70 and name HE#)
 or (resi 83 and name HN)
 or (resi 90 and name HD2) ) 4.26191 2.55715 1.006
assi ((resi 56 and name HG##) )((resi 43 and name HB#) ) 2.87462 1.72477 1.006
assi ((resi 32 and name HD##) )((resi 6 and name HN)
 or (resi 59 and name HN)
 or (resi 64 and name HN)
 or (resi 71 and name HN)
 or (resi 79 and name HN)
 or (resi 85 and name HN) ) 3.84738 2.30843 1.006
assi ((resi 50 and name HE2#) )((resi 10 and name HD##)
 or (resi 10 and name HD##)
 or (resi 47 and name HD1#)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 3.41754 2.05053 0.683509
assi ((resi 11 and name HG2#) )((resi 18 and name HA)
 or (resi 32 and name HA)
 or (resi 34 and name HA)
 or (resi 44 and name HA)
 or (resi 62 and name HB#)
 or (resi 72 and name HA)
 or (resi 75 and name HA)
 or (resi 88 and name HA)
 or (resi 91 and name HA) ) 3.53986 2.12392 1.006
assi ((resi 29 and name HN) )((resi 60 and name HD##) ) 3.91113 2.34668 0.782227
assi ((resi 81 and name HG2#) )((resi 84 and name HB#) ) 2.53777 1.52266 1.006
assi ((resi 83 and name HA) )((resi 10 and name HD##)
 or (resi 24 and name HG#)
 or (resi 47 and name HD1#)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 56 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 3.52668 2.11601 1.006
assi ((resi 14 and name HN) )((resi 4 and name HG#)
 or (resi 10 and name HB1)
 or (resi 17 and name HB#)
 or (resi 37 and name HB#)
 or (resi 65 and name HB#)
 or (resi 79 and name HG#)
 or (resi 89 and name HG#) ) 2.8731 1.72386 0.65
assi ((resi 49 and name HN) )((resi 3 and name HD##)
 or (resi 35 and name HB#)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#)
 or (resi 80 and name HD1#) ) 3.028 1.8168 0.65
assi ((resi 87 and name HD# and segid "a") )((resi 14 and name HB2 and segid "b") ) 2.80935 1.68561 0.65
assi ((resi 87 and name HD# and segid "b") )((resi 14 and name HB2 and segid "a") ) 2.80935 1.68561 0.65
assi ((resi 87 and name HD# and segid "a") )((resi 11 and name HA and segid "b") ) 2.47147 1.48288 0.65
assi ((resi 87 and name HD# and segid "b") )((resi 11 and name HA and segid "a") ) 2.47147 1.48288 0.65
assi ((resi 88 and name HE# and segid "a") )((resi 10 and name HB2 and segid "b") ) 3.6666 2.19996 0.733321
assi ((resi 88 and name HE# and segid "b") )((resi 10 and name HB2 and segid "a") ) 3.6666 2.19996 0.733321
assi ((resi 88 and name HE# and segid "a") )((resi 14 and name HB2 and segid "b") ) 3.12509 1.87506 0.65
assi ((resi 88 and name HE# and segid "b") )((resi 14 and name HB2 and segid "a") ) 3.12509 1.87506 0.65
assi ((resi 88 and name HD# and segid "a") )((resi 11 and name HG2# and segid "b") ) 2.95152 1.77091 0.65
assi ((resi 88 and name HD# and segid "b") )((resi 11 and name HG2# and segid "a") ) 2.95152 1.77091 0.65
assi ((resi 87 and name HD# and segid "a") )((resi 11 and name HB and segid "b") ) 2.51447 1.50868 0.65
assi ((resi 87 and name HD# and segid "b") )((resi 11 and name HB and segid "a") ) 2.51447 1.50868 0.65
assi ((resi 87 and name HD# and segid "a") )((resi 11 and name HG2# and segid "b") ) 4.02893 2.41736 0.805786
assi ((resi 87 and name HD# and segid "b") )((resi 11 and name HG2# and segid "a") ) 4.02893 2.41736 0.805786
assi ((resi 87 and name HD# and segid "a") )((resi 11 and name HG2# and segid "b") ) 3.91461 2.34877 0.782922
assi ((resi 87 and name HD# and segid "b") )((resi 11 and name HG2# and segid "a") ) 3.91461 2.34877 0.782922
assi ((resi 76 and name HD#) )((resi 77 and name HN) ) 2.68121 1.60872 0.65
assi ((resi 14 and name HD#) )((resi 14 and name HN) ) 2.94939 1.76963 0.65
assi ((resi 14 and name HD#) )((resi 73 and name HE#)
 or (resi 88 and name HZ)
 or (resi 14 and name HE#) ) 1.65307 0.991843 0.65
assi ((resi 73 and name HD#) )((resi 14 and name HD#) ) 2.83779 1.70267 0.65
assi ((resi 14 and name HE#) )((resi 26 and name HA)
 or (resi 69 and name HA) ) 3.13299 1.87979 0.65
assi ((resi 14 and name HE#) )((resi 25 and name HA) ) 3.1909 1.91454 1.106
assi ((resi 70 and name HZ) )((resi 14 and name HD#)
 or (resi 87 and name HE#) ) 2.95896 1.77538 0.65
assi ((resi 70 and name HZ) )((resi 25 and name HA) ) 4.18264 2.50959 0.836529
assi ((resi 25 and name HD2) )((resi 14 and name HD#)
 or (resi 87 and name HE#) ) 3.02372 1.81423 0.65
assi ((resi 17 and name HD#) )((resi 14 and name HA)
 or (resi 18 and name HB#)
 or (resi 33 and name HA)
 or (resi 35 and name HA)
 or (resi 71 and name HA) ) 3.34498 2.00699 0.668996
assi ((resi 17 and name HD#) )((resi 20 and name HD#) ) 3.07596 1.84558 0.85
assi ((resi 17 and name HD#) )((resi 17 and name HA) ) 2.71467 1.6288 0.65
assi ((resi 17 and name HD#) )((resi 13 and name HA) ) 3.30441 1.98264 0.660881
assi ((resi 17 and name HD#) )((resi 16 and name HB#) ) 1.94932 1.16959 0.65
assi ((resi 73 and name HD#) )((resi 14 and name HA)
 or (resi 18 and name HB#)
 or (resi 33 and name HA)
 or (resi 35 and name HA)
 or (resi 71 and name HA) ) 3.08153 1.84892 0.95
assi ((resi 76 and name HD#) )((resi 56 and name HA) ) 3.85075 2.31045 0.770151
assi ((resi 76 and name HD#) )((resi 4 and name HB#)
 or (resi 8 and name HB)
 or (resi 29 and name HB#)
 or (resi 31 and name HG#)
 or (resi 34 and name HB#)
 or (resi 46 and name HG#)
 or (resi 49 and name HG#)
 or (resi 57 and name HB#) ) 5.65008 3.39005 1.13002
assi ((resi 14 and name HD#) )((resi 14 and name HA)
 or (resi 18 and name HB#) ) 2.27017 1.3621 0.65
assi ((resi 88 and name HD#) )((resi 88 and name HA) ) 2.50113 1.50068 0.65
assi ((resi 43 and name HE#) )((resi 7 and name HA)
 or (resi 22 and name HA#)
 or (resi 25 and name HB#)
 or (resi 52 and name HA)
 or (resi 56 and name HA)
 or (resi 81 and name HA) ) 3.66107 2.19664 0.732214
assi ((resi 43 and name HE#) )((resi 4 and name HB#)
 or (resi 7 and name HB)
 or (resi 28 and name HB#)
 or (resi 29 and name HB#)
 or (resi 31 and name HB1)
 or (resi 34 and name HB#)
 or (resi 49 and name HG#)
 or (resi 51 and name HG#)
 or (resi 56 and name HB)
 or (resi 57 and name HB#)
 or (resi 63 and name HB#)
 or (resi 67 and name HB2)
 or (resi 72 and name HB#) ) 2.65278 1.59167 0.65
assi ((resi 88 and name HE#) )((resi 7 and name HA)
 or (resi 19 and name HA#)
 or (resi 22 and name HA#)
 or (resi 25 and name HB#)
 or (resi 50 and name HA) ) 3.73014 2.23809 0.746029
assi ((resi 43 and name HD#) )((resi 22 and name HA#)
 or (resi 42 and name HB#)
 or (resi 52 and name HA)
 or (resi 56 and name HA)
 or (resi 81 and name HA) ) 3.27166 1.963 0.854332
assi ((resi 43 and name HD#) )((resi 4 and name HA)
 or (resi 42 and name HB#)
 or (resi 53 and name HA)
 or (resi 82 and name HA) ) 3.51121 2.10673 0.702242
assi ((resi 43 and name HD#) )((resi 4 and name HB#)
 or (resi 8 and name HB)
 or (resi 29 and name HB#)
 or (resi 31 and name HG#)
 or (resi 34 and name HB#)
 or (resi 46 and name HG#)
 or (resi 49 and name HG#)
 or (resi 57 and name HB#) ) 3.83387 2.30032 0.766773
assi ((resi 43 and name HD#) )((resi 5 and name HE#)
 or (resi 12 and name HB#)
 or (resi 33 and name HE#)
 or (resi 55 and name HE#)
 or (resi 84 and name HB#)
 or (resi 88 and name HB#) ) 3.41716 2.0503 0.683432
assi ((resi 70 and name HZ) )((resi 14 and name HB1) ) 3.47407 2.08444 0.694813
assi ((resi 73 and name HE#) )((resi 4 and name HG#)
 or (resi 10 and name HB2)
 or (resi 16 and name HG#)
 or (resi 17 and name HB#)
 or (resi 37 and name HB#)
 or (resi 65 and name HB#)
 or (resi 79 and name HG#)
 or (resi 89 and name HG#) ) 3.18798 1.91279 0.65
assi ((resi 73 and name HE#) )((resi 10 and name HA) ) 2.62941 1.57764 0.65
assi ((resi 73 and name HE#) )((resi 74 and name HA) ) 3.70858 2.22515 0.741717
assi ((resi 25 and name HD2) )((resi 18 and name HA)
 or (resi 19 and name HA#)
 or (resi 20 and name HA)
 or (resi 32 and name HA)
 or (resi 34 and name HA)
 or (resi 47 and name HA)
 or (resi 59 and name HA)
 or (resi 62 and name HB#)
 or (resi 72 and name HA)
 or (resi 75 and name HA)
 or (resi 78 and name HA)
 or (resi 82 and name HB) ) 3.61748 2.17049 0.723497
assi ((resi 25 and name HD2) )((resi 18 and name HB#) ) 3.77357 2.26414 0.754714
assi ((resi 25 and name HD2) )((resi 18 and name HB#) ) 4.2134 2.52804 0.84268
assi ((resi 17 and name HE#) )((resi 38 and name HB#) ) 2.30716 1.3843 2.00
assi ((resi 17 and name HE#) )((resi 34 and name HB#) ) 1.9124 1.14744 0.65
assi ((resi 17 and name HD#) )((resi 35 and name HB#) ) 3.37716 2.0263 1.075433
assi ((resi 17 and name HD#) )((resi 13 and name HG##) ) 2.87869 1.72721 0.65
assi ((resi 17 and name HD#) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#)
 or (resi 80 and name HD1#) ) 3.2161 1.92966 0.65
assi ((resi 17 and name HD#) )((resi 27 and name HD##) ) 2.49839 1.49903 0.65
assi ((resi 73 and name HD#) )((resi 74 and name HG#) ) 2.42465 1.45479 1.25
assi ((resi 73 and name HD#) )((resi 32 and name HD##) ) 2.52282 1.51369 1.65
assi ((resi 73 and name HD#) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 52 and name HG##)
 or (resi 80 and name HD1#) ) 2.74566 1.6474 0.65
assi ((resi 73 and name HD#) )((resi 35 and name HD##) ) 2.86139 1.71683 0.65
assi ((resi 73 and name HD#) )((resi 77 and name HG##) ) 2.74077 1.64446 0.65
assi ((resi 70 and name HE#) )((resi 0 and name HE#)
 or (resi 11 and name HG1#)
 or (resi 20 and name HB#)
 or (resi 40 and name HB#)
 or (resi 47 and name HB)
 or (resi 47 and name HG1#)
 or (resi 58 and name HG1)
 or (resi 89 and name HB#)
 or (resi 91 and name HB#) ) 4.17374 2.50424 0.834748
assi ((resi 76 and name HD#) )((resi 0 and name HE#)
 or (resi 3 and name HB#)
 or (resi 11 and name HG1#)
 or (resi 20 and name HB#)
 or (resi 40 and name HB#)
 or (resi 47 and name HB)
 or (resi 58 and name HG1)
 or (resi 89 and name HB#)
 or (resi 91 and name HB#) ) 4.57056 2.74234 0.914112
assi ((resi 87 and name HE#) )((resi 5 and name HD#)
 or (resi 6 and name HB#)
 or (resi 10 and name HB1)
 or (resi 11 and name HB)
 or (resi 26 and name HB#)
 or (resi 28 and name HD#)
 or (resi 29 and name HD#)
 or (resi 36 and name HB)
 or (resi 44 and name HB1)
 or (resi 47 and name HG1#)
 or (resi 48 and name HB#)
 or (resi 89 and name HB#) ) 3.80171 2.28103 0.760342
assi ((resi 14 and name HD#) )((resi 27 and name HG)
 or (resi 33 and name HG#)
 or (resi 48 and name HD#)
 or (resi 59 and name HG2#)
 or (resi 78 and name HB#) ) 2.59383 1.5563 1.65
assi ((resi 43 and name HE#)  or (resi 76 and name HE#) )((resi 16 and name HB#)
 or (resi 21 and name HB#)
 or (resi 45 and name HB#)
 or (resi 46 and name HB#)
 or (resi 49 and name HB#)
 or (resi 50 and name HB#)
 or (resi 58 and name HB#)
 or (resi 71 and name HB#)
 or (resi 79 and name HB#)
 or (resi 89 and name HB#)
 or (resi 91 and name HB#) ) 3.76286 2.25771 0.752571
assi ((resi 43 and name HE#) )((resi 0 and name HE#)
 or (resi 5 and name HD#)
 or (resi 10 and name HB1)
 or (resi 11 and name HB)
 or (resi 11 and name HG1#)
 or (resi 29 and name HD#)
 or (resi 40 and name HB#)
 or (resi 44 and name HB1)
 or (resi 47 and name HB)
 or (resi 47 and name HG1#)
 or (resi 58 and name HG1)
 or (resi 89 and name HB#) ) 3.06198 1.83719 0.65
assi ((resi 43 and name HE#) )((resi 56 and name HG##) ) 2.47234 1.4834 0.65
assi ((resi 43 and name HE#) )((resi 80 and name HG2#) ) 2.66908 1.60145 0.65
assi ((resi 43 and name HE#) )((resi 40 and name HD##) ) 3.36641 2.01984 0.673281
assi ((resi 14 and name HE#) )((resi 27 and name HD##) ) 2.47771 1.48662 0.65
assi ((resi 43 and name HD#)  or (resi and and name o) )((resi 10 and name HB1)
 or (resi 11 and name HB)
 or (resi 26 and name HB#)
 or (resi 29 and name HD#)
 or (resi 36 and name HB)
 or (resi 44 and name HB1)
 or (resi 47 and name HB)
 or (resi 47 and name HG1#)
 or (resi 48 and name HB#)
 or (resi 89 and name HB#) ) 2.29433 1.3766 0.65
assi ((resi 43 and name HD#) )((resi 56 and name HG##) ) 2.73094 1.63856 0.65
assi ((resi 43 and name HD#) )((resi 10 and name HD##)
 or (resi 10 and name HD##)
 or (resi 24 and name HG#)
 or (resi 47 and name HD1#)
 or (resi 53 and name HG##)
 or (resi 53 and name HG##)
 or (resi 80 and name HG2#)
 or (resi 81 and name HG2#) ) 2.2521 1.35126 0.65
assi ((resi 43 and name HD#) )((resi 40 and name HD##) ) 2.10366 1.26219 0.65
assi ((resi 73 and name HE#) )((resi 27 and name HD##)
 or (resi 27 and name HD##)
 or (resi 35 and name HD##)
 or (resi 36 and name HD1#)
 or (resi 40 and name HD##)
 or (resi 77 and name HG##) ) 2.89394 1.73636 0.65
assi ((resi 73 and name HE#) )((resi 10 and name HB1) ) 2.70191 1.62115 0.65
assi ((resi 17 and name HE#) )((resi 35 and name HB#) ) 3.23564 1.94138 0.65
assi ((resi 17 and name HE#) )((resi 35 and name HD##) ) 3.09182 1.85509 0.65
assi ((resi 17 and name HE#) )((resi 13 and name HG##) ) 2.43369 1.46022 0.65
assi ((resi 17 and name HE#) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#)
 or (resi 80 and name HD1#) ) 2.65861 1.59517 0.65
assi ((resi 17 and name HE#) )((resi 35 and name HB#) ) 3.23564 1.94138 0.65
assi ((resi 17 and name HE#) )((resi 35 and name HD##) ) 3.09182 1.85509 0.65
assi ((resi 17 and name HE#) )((resi 13 and name HG##) ) 2.43369 1.46022 0.65
assi ((resi 17 and name HE#) )((resi 3 and name HD##)
 or (resi 32 and name HD##)
 or (resi 35 and name HB#)
 or (resi 35 and name HG)
 or (resi 36 and name HG2#)
 or (resi 40 and name HD##)
 or (resi 44 and name HD##)
 or (resi 44 and name HD##)
 or (resi 47 and name HG2#)
 or (resi 80 and name HD1#) ) 2.65861 1.59517 0.65

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    MET   0          1H        MET   0  -0.051  -9.144  -9.144
    2   2H    MET   0          3H        MET   0   0.793 -10.010 -10.010
    3   3H    MET   0          2H        MET   0  -0.173 -10.837 -10.837
    4    HA   MET   0           HA       MET   0  -2.107 -10.364 -10.364
    5   1HB   MET   0          2HB       MET   0   0.160 -10.156 -10.156
    6   2HB   MET   0          1HB       MET   0  -1.526 -10.342 -10.342
    7   1HG   MET   0          2HG       MET   0  -1.189 -12.298 -12.298
    8   2HG   MET   0          1HG       MET   0   0.327 -12.342 -12.342
    9   1HE   MET   0          1HE       MET   0  -3.359 -12.254 -12.254
   10   2HE   MET   0          3HE       MET   0  -3.934 -13.026 -13.026
   11   3HE   MET   0          2HE       MET   0  -3.357 -11.362 -11.362
   12    H    SER   1           H        SER   1  -2.527  -8.792  -8.792
   13    HA   SER   1           HA       SER   1  -3.556  -6.406  -6.406
   14   1HB   SER   1          2HB       SER   1  -3.384  -5.776  -5.776
   15   2HB   SER   1          1HB       SER   1  -3.260  -7.532  -7.532
   16    HG   SER   1           HG       SER   1  -1.622  -6.181  -6.181
   17    H    GLU   2           H        GLU   2  -0.097  -7.055  -7.055
   18    HA   GLU   2           HA       GLU   2   1.113  -4.582  -4.582
   19   1HB   GLU   2          2HB       GLU   2   1.595  -7.018  -7.018
   20   2HB   GLU   2          1HB       GLU   2   2.711  -5.651  -5.651
   21   1HG   GLU   2          2HG       GLU   2   2.974  -5.867  -5.867
   22   2HG   GLU   2          1HG       GLU   2   1.897  -7.263  -7.263
   23    H    LEU   3           H        LEU   3  -0.858  -5.861  -5.861
   24    HA   LEU   3           HA       LEU   3  -0.107  -3.797  -3.797
   25   1HB   LEU   3          2HB       LEU   3  -0.684  -5.921  -5.921
   26   2HB   LEU   3          1HB       LEU   3  -2.065  -6.068  -6.068
   27    HG   LEU   3           HG       LEU   3  -2.484  -5.567  -5.567
   28   1HD1  LEU   3          3HD1      LEU   3  -3.955  -5.192  -5.192
   29   2HD1  LEU   3          2HD1      LEU   3  -3.893  -3.534  -3.534
   30   3HD1  LEU   3          1HD1      LEU   3  -4.552  -4.815  -4.815
   31   1HD2  LEU   3          2HD2      LEU   3  -0.823  -3.401  -3.401
   32   2HD2  LEU   3          1HD2      LEU   3  -1.829  -3.582  -3.582
   33   3HD2  LEU   3          3HD2      LEU   3  -2.440  -2.699  -2.699
   34    H    GLU   4           H        GLU   4  -3.203  -4.575  -4.575
   35    HA   GLU   4           HA       GLU   4  -4.635  -2.262  -2.262
   36   1HB   GLU   4          2HB       GLU   4  -5.829  -3.954  -3.954
   37   2HB   GLU   4          1HB       GLU   4  -4.631  -4.070  -4.070
   38   1HG   GLU   4          2HG       GLU   4  -5.793  -1.399  -1.399
   39   2HG   GLU   4          1HG       GLU   4  -7.022  -2.635  -2.635
   40    H    LYS   5           H        LYS   5  -2.548  -2.766  -2.766
   41    HA   LYS   5           HA       LYS   5  -2.769  -0.133  -0.133
   42   1HB   LYS   5          2HB       LYS   5  -0.320  -1.920  -1.920
   43   2HB   LYS   5          1HB       LYS   5  -0.900  -0.837  -0.837
   44   1HG   LYS   5          2HG       LYS   5  -3.031  -2.632  -2.632
   45   2HG   LYS   5          1HG       LYS   5  -1.570  -3.607  -3.607
   46   1HD   LYS   5          2HD       LYS   5  -1.095  -2.713  -2.713
   47   2HD   LYS   5          1HD       LYS   5  -2.363  -1.498  -1.498
   48   1HE   LYS   5          2HE       LYS   5  -3.992  -3.496  -3.496
   49   2HE   LYS   5          1HE       LYS   5  -2.669  -4.480  -4.480
   50   1HZ   LYS   5          2HZ       LYS   5  -3.407  -1.937  -1.937
   51   2HZ   LYS   5          1HZ       LYS   5  -4.301  -3.342  -3.342
   52   3HZ   LYS   5          3HZ       LYS   5  -2.639  -3.296  -3.296
   53    H    ALA   6           H        ALA   6  -0.461  -1.540  -1.540
   54    HA   ALA   6           HA       ALA   6   1.057   0.882   0.882
   55   1HB   ALA   6          3HB       ALA   6   0.570  -1.711  -1.711
   56   2HB   ALA   6          2HB       ALA   6   1.443  -0.421  -0.421
   57   3HB   ALA   6          1HB       ALA   6   2.075  -1.089  -1.089
   58    H    VAL   7           H        VAL   7  -1.989  -0.348  -0.348
   59    HA   VAL   7           HA       VAL   7  -2.329   1.438   1.438
   60    HB   VAL   7           HB       VAL   7  -3.604  -0.766  -0.766
   61   1HG1  VAL   7          3HG1      VAL   7  -5.337   1.653   1.653
   62   2HG1  VAL   7          2HG1      VAL   7  -6.007   0.028   0.028
   63   3HG1  VAL   7          1HG1      VAL   7  -5.305   0.555   0.555
   64   1HG2  VAL   7          3HG2      VAL   7  -2.920  -0.546  -0.546
   65   2HG2  VAL   7          2HG2      VAL   7  -4.553  -1.168  -1.168
   66   3HG2  VAL   7          1HG2      VAL   7  -4.310   0.513   0.513
   67    H    VAL   8           H        VAL   8  -3.526   1.413   1.413
   68    HA   VAL   8           HA       VAL   8  -4.954   3.890   3.890
   69    HB   VAL   8           HB       VAL   8  -3.549   2.343   2.343
   70   1HG1  VAL   8          1HG1      VAL   8  -5.070   4.932   4.932
   71   2HG1  VAL   8          3HG1      VAL   8  -5.165   3.815   3.815
   72   3HG1  VAL   8          2HG1      VAL   8  -3.605   4.472   4.472
   73   1HG2  VAL   8          3HG2      VAL   8  -5.577   1.378   1.378
   74   2HG2  VAL   8          2HG2      VAL   8  -5.770   1.597   1.597
   75   3HG2  VAL   8          1HG2      VAL   8  -6.500   2.748   2.748
   76    H    ALA   9           H        ALA   9  -1.590   3.104   3.104
   77    HA   ALA   9           HA       ALA   9  -0.638   5.663   5.663
   78   1HB   ALA   9          1HB       ALA   9   0.355   3.098   3.098
   79   2HB   ALA   9          3HB       ALA   9   1.183   4.094   4.094
   80   3HB   ALA   9          2HB       ALA   9   1.307   4.490   4.490
   81    H    LEU  10           H        LEU  10  -1.017   4.167   4.167
   82    HA   LEU  10           HA       LEU  10   0.146   6.300   6.300
   83   1HB   LEU  10          2HB       LEU  10  -2.099   4.393   4.393
   84   2HB   LEU  10          1HB       LEU  10  -1.091   5.274   5.274
   85    HG   LEU  10           HG       LEU  10  -0.090   3.237   3.237
   86   1HD1  LEU  10          1HD1      LEU  10  -1.400   2.777   2.777
   87   2HD1  LEU  10          3HD1      LEU  10   0.303   2.719   2.719
   88   3HD1  LEU  10          2HD1      LEU  10  -0.310   1.648   1.648
   89   1HD2  LEU  10          1HD2      LEU  10   1.224   5.313   5.313
   90   2HD2  LEU  10          3HD2      LEU  10   1.920   4.191   4.191
   91   3HD2  LEU  10          2HD2      LEU  10   1.787   3.726   3.726
   92    H    ILE  11           H        ILE  11  -3.261   5.702   5.702
   93    HA   ILE  11           HA       ILE  11  -4.515   7.868   7.868
   94    HB   ILE  11           HB       ILE  11  -6.165   7.693   7.693
   95   1HG1  ILE  11          2HG1      ILE  11  -5.151   6.146   6.146
   96   2HG1  ILE  11          1HG1      ILE  11  -3.795   7.196   7.196
   97   1HG2  ILE  11          2HG2      ILE  11  -4.932   5.347   5.347
   98   2HG2  ILE  11          1HG2      ILE  11  -5.506   4.986   4.986
   99   3HG2  ILE  11          3HG2      ILE  11  -6.625   5.611   5.611
  100   1HD1  ILE  11          1HD1      ILE  11  -5.584   9.101   9.101
  101   2HD1  ILE  11          3HD1      ILE  11  -6.542   7.946   7.946
  102   3HD1  ILE  11          2HD1      ILE  11  -4.974   8.480   8.480
  103    H    ASP  12           H        ASP  12  -2.245   7.785   7.785
  104    HA   ASP  12           HA       ASP  12  -2.558  10.598  10.598
  105   1HB   ASP  12          2HB       ASP  12  -1.448   8.177   8.177
  106   2HB   ASP  12          1HB       ASP  12  -0.093   9.289   9.289
  107    H    VAL  13           H        VAL  13  -0.175   8.563   8.563
  108    HA   VAL  13           HA       VAL  13   1.712  10.538  10.538
  109    HB   VAL  13           HB       VAL  13   0.695   8.141   8.141
  110   1HG1  VAL  13          2HG1      VAL  13   3.278   9.722   9.722
  111   2HG1  VAL  13          1HG1      VAL  13   3.029   8.165   8.165
  112   3HG1  VAL  13          3HG1      VAL  13   2.065   9.561   9.561
  113   1HG2  VAL  13          1HG2      VAL  13   2.468   8.487   8.487
  114   2HG2  VAL  13          3HG2      VAL  13   1.436   7.126   7.126
  115   3HG2  VAL  13          2HG2      VAL  13   3.005   7.333   7.333
  116    H    PHE  14           H        PHE  14  -1.129   9.427   9.427
  117    HA   PHE  14           HA       PHE  14  -0.898  11.332  11.332
  118   1HB   PHE  14          2HB       PHE  14  -2.969   9.562   9.562
  119   2HB   PHE  14          1HB       PHE  14  -3.637  11.082  11.082
  120    HD1  PHE  14           HD2      PHE  14  -2.904  11.918  11.918
  121    HD2  PHE  14           HD1      PHE  14  -2.347   7.879   7.879
  122    HE1  PHE  14           HE2      PHE  14  -2.631  11.190  11.190
  123    HE2  PHE  14           HE1      PHE  14  -2.066   7.137   7.137
  124    HZ   PHE  14           HZ       PHE  14  -2.203   8.795   8.795
  125    H    HIS  15           H        HIS  15  -2.772  11.583  11.583
  126    HA   HIS  15           HA       HIS  15  -3.953  14.042  14.042
  127   1HB   HIS  15          2HB       HIS  15  -3.680  12.464  12.464
  128   2HB   HIS  15          1HB       HIS  15  -2.095  13.189  13.189
  129    HD1  HIS  15           HD1      HIS  15  -5.716  13.763  13.763
  130    HD2  HIS  15           HD2      HIS  15  -2.214  16.015  16.015
  131    HE1  HIS  15           HE1      HIS  15  -6.309  15.894  15.894
  132    H    GLN  16           H        GLN  16  -0.470  13.496  13.496
  133    HA   GLN  16           HA       GLN  16   0.117  16.390  16.390
  134   1HB   GLN  16          2HB       GLN  16   1.799  13.860  13.860
  135   2HB   GLN  16          1HB       GLN  16   2.452  15.498  15.498
  136   1HG   GLN  16          2HG       GLN  16   1.488  15.908  15.908
  137   2HG   GLN  16          1HG       GLN  16   0.217  14.709  14.709
  138   1HE2  GLN  16          2HE2      GLN  16   2.492  11.940  11.940
  139   2HE2  GLN  16          1HE2      GLN  16   1.314  12.346  12.346
  140    H    TYR  17           H        TYR  17   1.476  13.586  13.586
  141    HA   TYR  17           HA       TYR  17   2.576  14.735  14.735
  142   1HB   TYR  17          2HB       TYR  17   1.088  12.180  12.180
  143   2HB   TYR  17          1HB       TYR  17   1.685  12.504  12.504
  144    HD1  TYR  17           HD1      TYR  17   4.067  12.700  12.700
  145    HD2  TYR  17           HD2      TYR  17   2.631  11.902  11.902
  146    HE1  TYR  17           HE1      TYR  17   6.358  12.080  12.080
  147    HE2  TYR  17           HE2      TYR  17   4.916  11.260  11.260
  148    HH   TYR  17           HH       TYR  17   7.515  12.087  12.087
  149    H    SER  18           H        SER  18  -0.886  14.325  14.325
  150    HA   SER  18           HA       SER  18  -1.565  15.129  15.129
  151   1HB   SER  18          2HB       SER  18  -3.538  14.116  14.116
  152   2HB   SER  18          1HB       SER  18  -2.679  13.505  13.505
  153    HG   SER  18           HG       SER  18  -4.000  14.652  14.652
  154    H    GLY  19           H        GLY  19  -2.127  16.413  16.413
  155   1HA   GLY  19          2HA       GLY  19  -2.715  19.050  19.050
  156   2HA   GLY  19          1HA       GLY  19  -3.376  18.542  18.542
  157    H    ARG  20           H        ARG  20   0.009  18.238  18.238
  158    HA   ARG  20           HA       ARG  20   0.797  19.817  19.817
  159   1HB   ARG  20          2HB       ARG  20   3.023  18.803  18.803
  160   2HB   ARG  20          1HB       ARG  20   1.769  17.573  17.573
  161   1HG   ARG  20          2HG       ARG  20   1.609  17.409  17.409
  162   2HG   ARG  20          1HG       ARG  20   2.762  18.729  18.729
  163   1HD   ARG  20          2HD       ARG  20   3.369  16.073  16.073
  164   2HD   ARG  20          1HD       ARG  20   3.882  16.534  16.534
  165    HE   ARG  20           HE       ARG  20   4.849  18.630  18.630
  166   1HH1  ARG  20          2HH1      ARG  20   4.932  17.813  17.813
  167   2HH1  ARG  20          1HH1      ARG  20   6.312  16.778  16.778
  168   1HH2  ARG  20          1HH2      ARG  20   6.582  16.195  16.195
  169   2HH2  ARG  20          2HH2      ARG  20   7.246  15.861  15.861
  170    H    GLU  21           H        GLU  21   0.035  20.510  20.510
  171    HA   GLU  21           HA       GLU  21   1.933  22.803  22.803
  172   1HB   GLU  21          2HB       GLU  21   2.559  20.628  20.628
  173   2HB   GLU  21          1HB       GLU  21   1.326  21.213  21.213
  174   1HG   GLU  21          2HG       GLU  21   2.696  23.510  23.510
  175   2HG   GLU  21          1HG       GLU  21   4.000  22.344  22.344
  176    H    GLY  22           H        GLY  22  -0.835  21.232  21.232
  177   1HA   GLY  22          2HA       GLY  22  -2.631  23.399  23.399
  178   2HA   GLY  22          1HA       GLY  22  -1.865  23.594  23.594
  179    H    ASP  23           H        ASP  23  -1.594  20.778  20.778
  180    HA   ASP  23           HA       ASP  23  -4.017  20.223  20.223
  181   1HB   ASP  23          2HB       ASP  23  -1.818  18.434  18.434
  182   2HB   ASP  23          1HB       ASP  23  -3.062  17.877  17.877
  183    H    LYS  24           H        LYS  24  -5.631  18.514  18.514
  184    HA   LYS  24           HA       LYS  24  -6.443  18.600  18.600
  185   1HB   LYS  24          2HB       LYS  24  -7.640  17.721  17.721
  186   2HB   LYS  24          1HB       LYS  24  -8.429  17.316  17.316
  187   1HG   LYS  24          2HG       LYS  24  -8.988  19.501  19.501
  188   2HG   LYS  24          1HG       LYS  24  -7.564  20.144  20.144
  189   1HD   LYS  24          2HD       LYS  24  -8.977  18.928  18.928
  190   2HD   LYS  24          1HD       LYS  24 -10.247  19.640  19.640
  191   1HE   LYS  24          2HE       LYS  24  -9.172  21.834  21.834
  192   2HE   LYS  24          1HE       LYS  24  -7.806  21.144  21.144
  193   1HZ   LYS  24          2HZ       LYS  24 -10.580  20.752  20.752
  194   2HZ   LYS  24          1HZ       LYS  24  -9.730  22.167  22.167
  195   3HZ   LYS  24          3HZ       LYS  24  -9.135  20.654  20.654
  196    H    HIS  25           H        HIS  25  -7.135  15.788  15.788
  197    HA   HIS  25           HA       HIS  25  -5.516  14.129  14.129
  198   1HB   HIS  25          2HB       HIS  25  -8.163  13.778  13.778
  199   2HB   HIS  25          1HB       HIS  25  -7.307  12.399  12.399
  200    HD1  HIS  25           HD1      HIS  25  -9.701  12.585  12.585
  201    HD2  HIS  25           HD2      HIS  25  -6.639  15.297  15.297
  202    HE1  HIS  25           HE1      HIS  25 -10.156  13.515  13.515
  203    H    LYS  26           H        LYS  26  -4.008  14.996  14.996
  204    HA   LYS  26           HA       LYS  26  -3.553  12.548  12.548
  205   1HB   LYS  26          2HB       LYS  26  -4.454  15.177  15.177
  206   2HB   LYS  26          1HB       LYS  26  -3.358  14.169  14.169
  207   1HG   LYS  26          2HG       LYS  26  -5.118  12.938  12.938
  208   2HG   LYS  26          1HG       LYS  26  -5.333  12.429  12.429
  209   1HD   LYS  26          2HD       LYS  26  -6.340  15.088  15.088
  210   2HD   LYS  26          1HD       LYS  26  -7.030  14.105  14.105
  211   1HE   LYS  26          2HE       LYS  26  -7.370  12.358  12.358
  212   2HE   LYS  26          1HE       LYS  26  -7.372  13.847  13.847
  213   1HZ   LYS  26          2HZ       LYS  26  -8.978  13.447  13.447
  214   2HZ   LYS  26          1HZ       LYS  26  -9.592  13.279  13.279
  215   3HZ   LYS  26          3HZ       LYS  26  -9.031  14.788  14.788
  216    H    LEU  27           H        LEU  27  -1.469  13.138  13.138
  217    HA   LEU  27           HA       LEU  27   0.322  14.958  14.958
  218   1HB   LEU  27          2HB       LEU  27   0.540  11.999  11.999
  219   2HB   LEU  27          1HB       LEU  27   2.010  12.961  12.961
  220    HG   LEU  27           HG       LEU  27   0.135  13.761  13.761
  221   1HD1  LEU  27          2HD1      LEU  27  -0.332  11.128  11.128
  222   2HD1  LEU  27          1HD1      LEU  27   0.858  10.975  10.975
  223   3HD1  LEU  27          3HD1      LEU  27  -0.654  11.835  11.835
  224   1HD2  LEU  27          3HD2      LEU  27   2.868  13.375  13.375
  225   2HD2  LEU  27          2HD2      LEU  27   2.068  13.823  13.823
  226   3HD2  LEU  27          1HD2      LEU  27   2.421  12.130  12.130
  227    H    LYS  28           H        LYS  28   2.586  14.890  14.890
  228    HA   LYS  28           HA       LYS  28   2.059  14.936  14.936
  229   1HB   LYS  28          2HB       LYS  28   2.289  17.115  17.115
  230   2HB   LYS  28          1HB       LYS  28   3.932  16.935  16.935
  231   1HG   LYS  28          2HG       LYS  28   3.244  17.995  17.995
  232   2HG   LYS  28          1HG       LYS  28   2.292  16.557  16.557
  233   1HD   LYS  28          2HD       LYS  28   0.545  18.030  18.030
  234   2HD   LYS  28          1HD       LYS  28   0.652  17.762  17.762
  235   1HE   LYS  28          2HE       LYS  28   1.854  19.780  19.780
  236   2HE   LYS  28          1HE       LYS  28   2.264  19.932  19.932
  237   1HZ   LYS  28          1HZ       LYS  28  -0.532  19.880  19.880
  238   2HZ   LYS  28          3HZ       LYS  28   0.331  21.325  21.325
  239   3HZ   LYS  28          2HZ       LYS  28   0.022  20.325  20.325
  240    H    LYS  29           H        LYS  29   3.958  14.500  14.500
  241    HA   LYS  29           HA       LYS  29   5.705  12.500  12.500
  242   1HB   LYS  29          2HB       LYS  29   6.145  14.963  14.963
  243   2HB   LYS  29          1HB       LYS  29   7.235  13.575  13.575
  244   1HG   LYS  29          2HG       LYS  29   5.722  12.218  12.218
  245   2HG   LYS  29          1HG       LYS  29   4.329  13.010  13.010
  246   1HD   LYS  29          2HD       LYS  29   4.592  14.939  14.939
  247   2HD   LYS  29          1HD       LYS  29   6.066  14.252  14.252
  248   1HE   LYS  29          2HE       LYS  29   4.914  12.772  12.772
  249   2HE   LYS  29          1HE       LYS  29   3.653  12.511  12.511
  250   1HZ   LYS  29          3HZ       LYS  29   3.975  15.123  15.123
  251   2HZ   LYS  29          2HZ       LYS  29   3.035  13.892  13.892
  252   3HZ   LYS  29          1HZ       LYS  29   2.622  14.519  14.519
  253    H    SER  30           H        SER  30   5.923  15.876  15.876
  254    HA   SER  30           HA       SER  30   8.664  15.710  15.710
  255   1HB   SER  30          2HB       SER  30   6.889  17.687  17.687
  256   2HB   SER  30          1HB       SER  30   6.812  17.746  17.746
  257    HG   SER  30           HG       SER  30   8.972  18.140  18.140
  258    H    GLU  31           H        GLU  31   5.479  15.990  15.990
  259    HA   GLU  31           HA       GLU  31   6.435  15.568  15.568
  260   1HB   GLU  31          2HB       GLU  31   3.807  14.885  14.885
  261   2HB   GLU  31          1HB       GLU  31   4.043  14.860  14.860
  262   1HG   GLU  31          2HG       GLU  31   4.846  17.277  17.277
  263   2HG   GLU  31          1HG       GLU  31   4.208  17.239  17.239
  264    H    LEU  32           H        LEU  32   5.443  13.290  13.290
  265    HA   LEU  32           HA       LEU  32   5.462  10.868  10.868
  266   1HB   LEU  32          2HB       LEU  32   5.806  11.838  11.838
  267   2HB   LEU  32          1HB       LEU  32   6.631  10.307  10.307
  268    HG   LEU  32           HG       LEU  32   3.691  10.926  10.926
  269   1HD1  LEU  32          2HD1      LEU  32   5.314   9.648   9.648
  270   2HD1  LEU  32          1HD1      LEU  32   4.160   8.495   8.495
  271   3HD1  LEU  32          3HD1      LEU  32   3.589  10.009  10.009
  272   1HD2  LEU  32          1HD2      LEU  32   5.417   8.821   8.821
  273   2HD2  LEU  32          3HD2      LEU  32   3.947   9.570   9.570
  274   3HD2  LEU  32          2HD2      LEU  32   3.842   8.312   8.312
  275    H    LYS  33           H        LYS  33   8.196  12.581  12.581
  276    HA   LYS  33           HA       LYS  33  10.274  10.765  10.765
  277   1HB   LYS  33          2HB       LYS  33   9.936  13.647  13.647
  278   2HB   LYS  33          1HB       LYS  33  11.443  13.229  13.229
  279   1HG   LYS  33          2HG       LYS  33  10.425  11.779  11.779
  280   2HG   LYS  33          1HG       LYS  33  11.556  13.130  13.130
  281   1HD   LYS  33          2HD       LYS  33  12.988  11.782  11.782
  282   2HD   LYS  33          1HD       LYS  33  11.970  10.407  10.407
  283   1HE   LYS  33          2HE       LYS  33  13.239  10.090  10.090
  284   2HE   LYS  33          1HE       LYS  33  12.761  11.697  11.697
  285   1HZ   LYS  33          3HZ       LYS  33  14.881  11.234  11.234
  286   2HZ   LYS  33          2HZ       LYS  33  15.195  11.450  11.450
  287   3HZ   LYS  33          1HZ       LYS  33  14.488  12.703  12.703
  288    H    GLU  34           H        GLU  34   9.072  13.575  13.575
  289    HA   GLU  34           HA       GLU  34  10.741  13.293  13.293
  290   1HB   GLU  34          2HB       GLU  34   7.816  14.103  14.103
  291   2HB   GLU  34          1HB       GLU  34   8.973  14.590  14.590
  292   1HG   GLU  34          2HG       GLU  34  10.310  15.355  15.355
  293   2HG   GLU  34          1HG       GLU  34   8.642  15.596  15.596
  294    H    LEU  35           H        LEU  35   7.710  11.680  11.680
  295    HA   LEU  35           HA       LEU  35   7.221  10.336  10.336
  296   1HB   LEU  35          2HB       LEU  35   5.934  10.670  10.670
  297   2HB   LEU  35          1HB       LEU  35   6.571   9.046   9.046
  298    HG   LEU  35           HG       LEU  35   5.336   9.569   9.569
  299   1HD1  LEU  35          3HD1      LEU  35   3.843  10.626  10.626
  300   2HD1  LEU  35          2HD1      LEU  35   3.568   8.969   8.969
  301   3HD1  LEU  35          1HD1      LEU  35   3.093   9.460   9.460
  302   1HD2  LEU  35          2HD2      LEU  35   6.369   7.394   7.394
  303   2HD2  LEU  35          1HD2      LEU  35   5.010   7.287   7.287
  304   3HD2  LEU  35          3HD2      LEU  35   4.724   7.252   7.252
  305    H    ILE  36           H        ILE  36   9.361   9.602   9.602
  306    HA   ILE  36           HA       ILE  36  10.019   6.936   6.936
  307    HB   ILE  36           HB       ILE  36  10.604   8.555   8.555
  308   1HG1  ILE  36          2HG1      ILE  36   9.854   6.418   6.418
  309   2HG1  ILE  36          1HG1      ILE  36   9.624   5.737   5.737
  310   1HG2  ILE  36          3HG2      ILE  36  12.416   6.607   6.607
  311   2HG2  ILE  36          2HG2      ILE  36  12.002   6.223   6.223
  312   3HG2  ILE  36          1HG2      ILE  36  12.734   7.779   7.779
  313   1HD1  ILE  36          3HD1      ILE  36   8.237   8.206   8.206
  314   2HD1  ILE  36          2HD1      ILE  36   7.501   6.613   6.613
  315   3HD1  ILE  36          1HD1      ILE  36   8.009   7.519   7.519
  316    H    ASN  37           H        ASN  37  11.279  10.210  10.210
  317    HA   ASN  37           HA       ASN  37  13.944   9.393   9.393
  318   1HB   ASN  37          2HB       ASN  37  12.842  12.174  12.174
  319   2HB   ASN  37          1HB       ASN  37  14.511  11.636  11.636
  320   1HD2  ASN  37          2HD2      ASN  37  13.074  12.244  12.244
  321   2HD2  ASN  37          1HD2      ASN  37  13.267  13.210  13.210
  322    H    ASN  38           H        ASN  38  10.935  10.710  10.710
  323    HA   ASN  38           HA       ASN  38  12.109  11.433  11.433
  324   1HB   ASN  38          2HB       ASN  38   9.320  11.274  11.274
  325   2HB   ASN  38          1HB       ASN  38   9.621  11.769  11.769
  326   1HD2  ASN  38          2HD2      ASN  38   9.824  15.051  15.051
  327   2HD2  ASN  38          1HD2      ASN  38   8.867  13.978  13.978
  328    H    GLU  39           H        GLU  39  11.012   8.562   8.562
  329    HA   GLU  39           HA       GLU  39  10.686   7.235   7.235
  330   1HB   GLU  39          2HB       GLU  39   9.226   6.930   6.930
  331   2HB   GLU  39          1HB       GLU  39   9.087   5.751   5.751
  332   1HG   GLU  39          2HG       GLU  39   7.495   7.038   7.038
  333   2HG   GLU  39          1HG       GLU  39   8.735   8.248   8.248
  334    H    LEU  40           H        LEU  40  11.515   6.670   6.670
  335    HA   LEU  40           HA       LEU  40  13.089   4.271   4.271
  336   1HB   LEU  40          2HB       LEU  40  12.392   5.417   5.417
  337   2HB   LEU  40          1HB       LEU  40  13.063   3.818   3.818
  338    HG   LEU  40           HG       LEU  40  10.441   4.747   4.747
  339   1HD1  LEU  40          1HD1      LEU  40  11.097   3.780   3.780
  340   2HD1  LEU  40          3HD1      LEU  40   9.777   2.918   2.918
  341   3HD1  LEU  40          2HD1      LEU  40   9.681   4.665   4.665
  342   1HD2  LEU  40          1HD2      LEU  40  12.133   2.502   2.502
  343   2HD2  LEU  40          3HD2      LEU  40  10.512   2.756   2.756
  344   3HD2  LEU  40          2HD2      LEU  40  10.726   1.922   1.922
  345    H    SER  41           H        SER  41  14.527   6.161   6.161
  346    HA   SER  41           HA       SER  41  16.130   7.940   7.940
  347   1HB   SER  41          2HB       SER  41  17.887   7.110   7.110
  348   2HB   SER  41          1HB       SER  41  16.380   7.829   7.829
  349    HG   SER  41           HG       SER  41  16.442   5.964   5.964
  350    H    HIS  42           H        HIS  42  16.527   4.404   4.404
  351    HA   HIS  42           HA       HIS  42  19.038   4.034   4.034
  352   1HB   HIS  42          2HB       HIS  42  16.402   2.605   2.605
  353   2HB   HIS  42          1HB       HIS  42  17.943   1.967   1.967
  354    HD1  HIS  42           HD1      HIS  42  19.776   1.459   1.459
  355    HD2  HIS  42           HD2      HIS  42  15.939   2.229   2.229
  356    HE1  HIS  42           HE1      HIS  42  19.741   0.671   0.671
  357    H    PHE  43           H        PHE  43  16.001   4.884   4.884
  358    HA   PHE  43           HA       PHE  43  17.255   4.797   4.797
  359   1HB   PHE  43          2HB       PHE  43  14.615   5.677   5.677
  360   2HB   PHE  43          1HB       PHE  43  15.010   6.025   6.025
  361    HD1  PHE  43           HD2      PHE  43  16.758   3.373   3.373
  362    HD2  PHE  43           HD1      PHE  43  12.766   4.209   4.209
  363    HE1  PHE  43           HE2      PHE  43  16.063   1.078   1.078
  364    HE2  PHE  43           HE1      PHE  43  12.080   1.909   1.909
  365    HZ   PHE  43           HZ       PHE  43  13.725   0.353   0.353
  366    H    LEU  44           H        LEU  44  17.278   7.051   7.051
  367    HA   LEU  44           HA       LEU  44  17.207   9.574   9.574
  368   1HB   LEU  44          2HB       LEU  44  17.737   8.742   8.742
  369   2HB   LEU  44          1HB       LEU  44  19.416   8.767   8.767
  370    HG   LEU  44           HG       LEU  44  19.102  11.139  11.139
  371   1HD1  LEU  44          3HD1      LEU  44  16.399  10.460  10.460
  372   2HD1  LEU  44          2HD1      LEU  44  16.708  11.568  11.568
  373   3HD1  LEU  44          1HD1      LEU  44  17.047  12.071  12.071
  374   1HD2  LEU  44          1HD2      LEU  44  18.981  10.100  10.100
  375   2HD2  LEU  44          3HD2      LEU  44  20.051  11.319  11.319
  376   3HD2  LEU  44          2HD2      LEU  44  18.436  11.772  11.772
  377    H    GLU  45           H        GLU  45  19.533   7.011   7.011
  378    HA   GLU  45           HA       GLU  45  21.500   8.542   8.542
  379   1HB   GLU  45          2HB       GLU  45  21.276   6.090   6.090
  380   2HB   GLU  45          1HB       GLU  45  22.169   5.834   5.834
  381   1HG   GLU  45          2HG       GLU  45  22.772   8.196   8.196
  382   2HG   GLU  45          1HG       GLU  45  23.507   6.622   6.622
  383    H    GLU  46           H        GLU  46  18.965   6.143   6.143
  384    HA   GLU  46           HA       GLU  46  17.879   5.302   5.302
  385   1HB   GLU  46          2HB       GLU  46  18.322   7.842   7.842
  386   2HB   GLU  46          1HB       GLU  46  19.534   7.241   7.241
  387   1HG   GLU  46          2HG       GLU  46  17.938   6.739   6.739
  388   2HG   GLU  46          1HG       GLU  46  17.096   5.740   5.740
  389    H    ILE  47           H        ILE  47  21.231   6.178   6.178
  390    HA   ILE  47           HA       ILE  47  21.819   4.226   4.226
  391    HB   ILE  47           HB       ILE  47  23.259   6.063   6.063
  392   1HG1  ILE  47          2HG1      ILE  47  24.056   4.384   4.384
  393   2HG1  ILE  47          1HG1      ILE  47  25.320   4.963   4.963
  394   1HG2  ILE  47          2HG2      ILE  47  23.646   3.779   3.779
  395   2HG2  ILE  47          1HG2      ILE  47  24.766   5.138   5.138
  396   3HG2  ILE  47          3HG2      ILE  47  23.093   5.415   5.415
  397   1HD1  ILE  47          2HD1      ILE  47  24.275   2.773   2.773
  398   2HD1  ILE  47          1HD1      ILE  47  24.255   2.258   2.258
  399   3HD1  ILE  47          3HD1      ILE  47  25.764   2.785   2.785
  400    H    LYS  48           H        LYS  48  21.378   3.811   3.811
  401    HA   LYS  48           HA       LYS  48  22.495   1.375   1.375
  402   1HB   LYS  48          2HB       LYS  48  19.643   2.285   2.285
  403   2HB   LYS  48          1HB       LYS  48  20.551   1.122   1.122
  404   1HG   LYS  48          2HG       LYS  48  21.134   4.073   4.073
  405   2HG   LYS  48          1HG       LYS  48  20.711   3.231   3.231
  406   1HD   LYS  48          2HD       LYS  48  22.819   1.893   1.893
  407   2HD   LYS  48          1HD       LYS  48  23.259   2.895   2.895
  408   1HE   LYS  48          2HE       LYS  48  23.905   4.621   4.621
  409   2HE   LYS  48          1HE       LYS  48  22.458   4.470   4.470
  410   1HZ   LYS  48          2HZ       LYS  48  23.438   2.480   2.480
  411   2HZ   LYS  48          1HZ       LYS  48  24.847   2.699   2.699
  412   3HZ   LYS  48          3HZ       LYS  48  24.419   3.844   3.844
  413    H    GLU  49           H        GLU  49  19.954   1.967   1.967
  414    HA   GLU  49           HA       GLU  49  19.911  -0.938  -0.938
  415   1HB   GLU  49          2HB       GLU  49  17.350  -0.620  -0.620
  416   2HB   GLU  49          1HB       GLU  49  18.081  -0.726  -0.726
  417   1HG   GLU  49          2HG       GLU  49  17.649   1.462   1.462
  418   2HG   GLU  49          1HG       GLU  49  17.963   1.999   1.999
  419    H    GLN  50           H        GLN  50  21.053  -0.210  -0.210
  420    HA   GLN  50           HA       GLN  50  20.113   1.847   1.847
  421   1HB   GLN  50          2HB       GLN  50  21.522   0.587   0.587
  422   2HB   GLN  50          1HB       GLN  50  22.342   0.942   0.942
  423   1HG   GLN  50          2HG       GLN  50  21.249  -1.473  -1.473
  424   2HG   GLN  50          1HG       GLN  50  21.507  -1.667  -1.667
  425   1HE2  GLN  50          2HE2      GLN  50  24.743  -1.310  -1.310
  426   2HE2  GLN  50          1HE2      GLN  50  23.198  -0.889  -0.889
  427    H    GLU  51           H        GLU  51  19.570  -1.715  -1.715
  428    HA   GLU  51           HA       GLU  51  17.857  -1.599  -1.599
  429   1HB   GLU  51          2HB       GLU  51  18.887  -3.646  -3.646
  430   2HB   GLU  51          1HB       GLU  51  17.982  -3.517  -3.517
  431   1HG   GLU  51          2HG       GLU  51  15.935  -3.370  -3.370
  432   2HG   GLU  51          1HG       GLU  51  17.057  -4.365  -4.365
  433    H    VAL  52           H        VAL  52  17.104  -1.409  -1.409
  434    HA   VAL  52           HA       VAL  52  14.231  -1.237  -1.237
  435    HB   VAL  52           HB       VAL  52  15.662  -0.470  -0.470
  436   1HG1  VAL  52          2HG1      VAL  52  12.999  -0.644  -0.644
  437   2HG1  VAL  52          1HG1      VAL  52  13.299  -2.207  -2.207
  438   3HG1  VAL  52          3HG1      VAL  52  13.617  -0.721  -0.721
  439   1HG2  VAL  52          1HG2      VAL  52  15.559  -3.110  -3.110
  440   2HG2  VAL  52          3HG2      VAL  52  16.729  -2.494  -2.494
  441   3HG2  VAL  52          2HG2      VAL  52  15.173  -3.110  -3.110
  442    H    VAL  53           H        VAL  53  16.919   0.978   0.978
  443    HA   VAL  53           HA       VAL  53  15.552   3.400   3.400
  444    HB   VAL  53           HB       VAL  53  18.101   2.532   2.532
  445   1HG1  VAL  53          2HG1      VAL  53  17.013   5.363   5.363
  446   2HG1  VAL  53          1HG1      VAL  53  18.676   4.910   4.910
  447   3HG1  VAL  53          3HG1      VAL  53  17.354   4.321   4.321
  448   1HG2  VAL  53          3HG2      VAL  53  17.289   3.422   3.422
  449   2HG2  VAL  53          2HG2      VAL  53  18.941   3.126   3.126
  450   3HG2  VAL  53          1HG2      VAL  53  18.245   4.740   4.740
  451    H    ASP  54           H        ASP  54  15.995   1.429   1.429
  452    HA   ASP  54           HA       ASP  54  14.833   3.284   3.284
  453   1HB   ASP  54          2HB       ASP  54  16.230   1.667   1.667
  454   2HB   ASP  54          1HB       ASP  54  15.693   0.412   0.412
  455    H    LYS  55           H        LYS  55  13.726   0.421   0.421
  456    HA   LYS  55           HA       LYS  55  10.982   0.540   0.540
  457   1HB   LYS  55          2HB       LYS  55  12.531  -0.760  -0.760
  458   2HB   LYS  55          1HB       LYS  55  10.770  -0.853  -0.853
  459   1HG   LYS  55          2HG       LYS  55  11.338  -2.759  -2.759
  460   2HG   LYS  55          1HG       LYS  55  11.077  -1.577  -1.577
  461   1HD   LYS  55          2HD       LYS  55  13.568  -1.080  -1.080
  462   2HD   LYS  55          1HD       LYS  55  13.718  -2.504  -2.504
  463   1HE   LYS  55          2HE       LYS  55  13.112  -3.978  -3.978
  464   2HE   LYS  55          1HE       LYS  55  12.309  -2.700  -2.700
  465   1HZ   LYS  55          2HZ       LYS  55  15.143  -2.362  -2.362
  466   2HZ   LYS  55          1HZ       LYS  55  14.746  -3.468  -3.468
  467   3HZ   LYS  55          3HZ       LYS  55  14.279  -1.843  -1.843
  468    H    VAL  56           H        VAL  56  12.241   1.187   1.187
  469    HA   VAL  56           HA       VAL  56  10.130   2.462   2.462
  470    HB   VAL  56           HB       VAL  56  13.098   3.040   3.040
  471   1HG1  VAL  56          1HG1      VAL  56  11.014   4.752   4.752
  472   2HG1  VAL  56          3HG1      VAL  56  11.951   4.096   4.096
  473   3HG1  VAL  56          2HG1      VAL  56  12.761   4.987   4.987
  474   1HG2  VAL  56          1HG2      VAL  56  11.298   1.209   1.209
  475   2HG2  VAL  56          3HG2      VAL  56  13.062   1.236   1.236
  476   3HG2  VAL  56          2HG2      VAL  56  12.162   2.203   2.203
  477    H    MET  57           H        MET  57  12.335   3.879   3.879
  478    HA   MET  57           HA       MET  57  11.027   6.505   6.505
  479   1HB   MET  57          2HB       MET  57  13.127   5.155   5.155
  480   2HB   MET  57          1HB       MET  57  12.594   6.812   6.812
  481   1HG   MET  57          2HG       MET  57  13.694   5.809   5.809
  482   2HG   MET  57          1HG       MET  57  14.645   6.672   6.672
  483   1HE   MET  57          2HE       MET  57  15.068   7.588   7.588
  484   2HE   MET  57          1HE       MET  57  14.682   9.303   9.303
  485   3HE   MET  57          3HE       MET  57  13.800   8.131   8.131
  486    H    GLU  58           H        GLU  58  10.966   3.600   3.600
  487    HA   GLU  58           HA       GLU  58   9.606   4.499   4.499
  488   1HB   GLU  58          2HB       GLU  58   9.210   2.241   2.241
  489   2HB   GLU  58          1HB       GLU  58  10.405   2.121   2.121
  490   1HG   GLU  58          2HG       GLU  58   8.708   0.706   0.706
  491   2HG   GLU  58          1HG       GLU  58   8.320   2.219   2.219
  492    H    THR  59           H        THR  59   8.319   3.942   3.942
  493    HA   THR  59           HA       THR  59   5.564   4.556   4.556
  494    HB   THR  59           HB       THR  59   6.919   3.815   3.815
  495    HG1  THR  59           HG1      THR  59   5.615   1.980   1.980
  496   1HG2  THR  59          2HG2      THR  59   4.063   4.665   4.665
  497   2HG2  THR  59          1HG2      THR  59   4.537   3.716   3.716
  498   3HG2  THR  59          3HG2      THR  59   5.196   5.335   5.335
  499    H    LEU  60           H        LEU  60   8.043   5.946   5.946
  500    HA   LEU  60           HA       LEU  60   6.719   8.223   8.223
  501   1HB   LEU  60          2HB       LEU  60   9.312   7.189   7.189
  502   2HB   LEU  60          1HB       LEU  60   9.451   8.772   8.772
  503    HG   LEU  60           HG       LEU  60   8.225   8.207   8.207
  504   1HD1  LEU  60          1HD1      LEU  60  10.824   9.451   9.451
  505   2HD1  LEU  60          3HD1      LEU  60  10.158   9.748   9.748
  506   3HD1  LEU  60          2HD1      LEU  60  10.594   8.109   8.109
  507   1HD2  LEU  60          3HD2      LEU  60   7.799  10.346  10.346
  508   2HD2  LEU  60          2HD2      LEU  60   7.185  10.193  10.193
  509   3HD2  LEU  60          1HD2      LEU  60   8.737  10.976  10.976
  510    H    ASP  61           H        ASP  61   8.058   7.631   7.631
  511    HA   ASP  61           HA       ASP  61   7.821  10.379  10.379
  512   1HB   ASP  61          2HB       ASP  61   8.977   7.991   7.991
  513   2HB   ASP  61          1HB       ASP  61   7.681   8.250   8.250
  514    H    SER  62           H        SER  62   5.738   7.532   7.532
  515    HA   SER  62           HA       SER  62   3.676   8.861   8.861
  516   1HB   SER  62          2HB       SER  62   2.533   6.592   6.592
  517   2HB   SER  62          1HB       SER  62   3.901   6.567   6.567
  518    HG   SER  62           HG       SER  62   4.428   5.111   5.111
  519    H    ASP  63           H        ASP  63   3.691   7.283   7.283
  520    HA   ASP  63           HA       ASP  63   2.265   7.704   7.704
  521   1HB   ASP  63          2HB       ASP  63   3.086  10.454  10.454
  522   2HB   ASP  63          1HB       ASP  63   2.415  10.137  10.137
  523    H    GLY  64           H        GLY  64   0.460   6.951   6.951
  524   1HA   GLY  64          2HA       GLY  64  -1.678   7.301   7.301
  525   2HA   GLY  64          1HA       GLY  64  -1.887   8.431   8.431
  526    H    ASP  65           H        ASP  65   0.692   8.953   8.953
  527    HA   ASP  65           HA       ASP  65   1.126  10.835  10.835
  528   1HB   ASP  65          2HB       ASP  65  -0.231   9.308   9.308
  529   2HB   ASP  65          1HB       ASP  65  -1.704  10.068  10.068
  530    H    GLY  66           H        GLY  66   1.087  12.351  12.351
  531   1HA   GLY  66          2HA       GLY  66   0.075  14.750  14.750
  532   2HA   GLY  66          1HA       GLY  66  -1.441  13.915  13.915
  533    H    GLU  67           H        GLU  67  -1.785  13.072  13.072
  534    HA   GLU  67           HA       GLU  67   0.267  13.850  13.850
  535   1HB   GLU  67          2HB       GLU  67  -1.935  14.175  14.175
  536   2HB   GLU  67          1HB       GLU  67  -1.455  15.423  15.423
  537   1HG   GLU  67          2HG       GLU  67  -2.952  14.403  14.403
  538   2HG   GLU  67          1HG       GLU  67  -3.450  13.192  13.192
  539    H    CYS  68           H        CYS  68   0.349  12.479  12.479
  540    HA   CYS  68           HA       CYS  68  -0.540   9.694   9.694
  541   1HB   CYS  68          2HB       CYS  68   1.710  10.954  10.954
  542   2HB   CYS  68          1HB       CYS  68   0.887  10.267  10.267
  543    HG   CYS  68           HG       CYS  68   1.526   7.996   7.996
  544    H    ASP  69           H        ASP  69  -2.709   9.545   9.545
  545    HA   ASP  69           HA       ASP  69  -3.747  10.858  10.858
  546   1HB   ASP  69          2HB       ASP  69  -4.899  10.718  10.718
  547   2HB   ASP  69          1HB       ASP  69  -5.067   8.989   8.989
  548    H    PHE  70           H        PHE  70  -5.269   9.512   9.512
  549    HA   PHE  70           HA       PHE  70  -4.295   7.969   7.969
  550   1HB   PHE  70          2HB       PHE  70  -6.817   7.698   7.698
  551   2HB   PHE  70          1HB       PHE  70  -6.522   6.653   6.653
  552    HD1  PHE  70           HD1      PHE  70  -4.781   9.747   9.747
  553    HD2  PHE  70           HD2      PHE  70  -8.656   7.969   7.969
  554    HE1  PHE  70           HE1      PHE  70  -5.398  11.566  11.566
  555    HE2  PHE  70           HE2      PHE  70  -9.273   9.793   9.793
  556    HZ   PHE  70           HZ       PHE  70  -7.637  11.597  11.597
  557    H    GLN  71           H        GLN  71  -5.833   5.939   5.939
  558    HA   GLN  71           HA       GLN  71  -4.328   3.627   3.627
  559   1HB   GLN  71          2HB       GLN  71  -5.622   2.624   2.624
  560   2HB   GLN  71          1HB       GLN  71  -6.519   4.130   4.130
  561   1HG   GLN  71          2HG       GLN  71  -4.300   3.748   3.748
  562   2HG   GLN  71          1HG       GLN  71  -5.994   3.425   3.425
  563   1HE2  GLN  71          2HE2      GLN  71  -5.581   6.905   6.905
  564   2HE2  GLN  71          1HE2      GLN  71  -5.206   5.345   5.345
  565    H    GLU  72           H        GLU  72  -3.250   6.362   6.362
  566    HA   GLU  72           HA       GLU  72  -1.307   4.994   4.994
  567   1HB   GLU  72          2HB       GLU  72  -1.355   7.904   7.904
  568   2HB   GLU  72          1HB       GLU  72  -0.818   7.201   7.201
  569   1HG   GLU  72          2HG       GLU  72  -3.426   6.304   6.304
  570   2HG   GLU  72          1HG       GLU  72  -3.505   7.964   7.964
  571    H    PHE  73           H        PHE  73  -0.830   7.374   7.374
  572    HA   PHE  73           HA       PHE  73   1.898   6.908   6.908
  573   1HB   PHE  73          2HB       PHE  73   1.041   8.631   8.631
  574   2HB   PHE  73          1HB       PHE  73  -0.401   7.720   7.720
  575    HD1  PHE  73           HD2      PHE  73   2.965   6.217   6.217
  576    HD2  PHE  73           HD1      PHE  73  -0.190   8.270   8.270
  577    HE1  PHE  73           HE2      PHE  73   3.949   5.573   5.573
  578    HE2  PHE  73           HE1      PHE  73   0.783   7.627   7.627
  579    HZ   PHE  73           HZ       PHE  73   2.863   6.280   6.280
  580    H    MET  74           H        MET  74  -0.836   5.145   5.145
  581    HA   MET  74           HA       MET  74   0.693   3.169   3.169
  582   1HB   MET  74          2HB       MET  74  -2.018   2.979   2.979
  583   2HB   MET  74          1HB       MET  74  -1.443   1.930   1.930
  584   1HG   MET  74          2HG       MET  74  -1.438   3.721   3.721
  585   2HG   MET  74          1HG       MET  74  -1.645   4.932   4.932
  586   1HE   MET  74          1HE       MET  74  -3.098   3.662   3.662
  587   2HE   MET  74          3HE       MET  74  -4.725   3.028   3.028
  588   3HE   MET  74          2HE       MET  74  -3.312   2.056   2.056
  589    H    ALA  75           H        ALA  75  -0.411   3.461   3.461
  590    HA   ALA  75           HA       ALA  75   0.375   0.806   0.806
  591   1HB   ALA  75          1HB       ALA  75  -0.447   3.430   3.430
  592   2HB   ALA  75          3HB       ALA  75   0.283   2.232   2.232
  593   3HB   ALA  75          2HB       ALA  75  -1.196   1.843   1.843
  594    H    PHE  76           H        PHE  76   1.703   3.887   3.887
  595    HA   PHE  76           HA       PHE  76   4.121   3.002   3.002
  596   1HB   PHE  76          2HB       PHE  76   3.370   5.284   5.284
  597   2HB   PHE  76          1HB       PHE  76   3.410   5.540   5.540
  598    HD1  PHE  76           HD1      PHE  76   5.809   3.985   3.985
  599    HD2  PHE  76           HD2      PHE  76   5.155   6.984   6.984
  600    HE1  PHE  76           HE1      PHE  76   8.180   4.674   4.674
  601    HE2  PHE  76           HE2      PHE  76   7.533   7.671   7.671
  602    HZ   PHE  76           HZ       PHE  76   9.047   6.514   6.514
  603    H    VAL  77           H        VAL  77   3.634   4.259   4.259
  604    HA   VAL  77           HA       VAL  77   6.197   3.719   3.719
  605    HB   VAL  77           HB       VAL  77   4.044   4.712   4.712
  606   1HG1  VAL  77          3HG1      VAL  77   2.683   2.676   2.676
  607   2HG1  VAL  77          2HG1      VAL  77   3.769   1.801   1.801
  608   3HG1  VAL  77          1HG1      VAL  77   2.802   3.142   3.142
  609   1HG2  VAL  77          3HG2      VAL  77   6.389   3.417   3.417
  610   2HG2  VAL  77          2HG2      VAL  77   5.584   4.895   4.895
  611   3HG2  VAL  77          1HG2      VAL  77   5.036   3.329   3.329
  612    H    ALA  78           H        ALA  78   3.481   1.530   1.530
  613    HA   ALA  78           HA       ALA  78   4.711  -0.839  -0.839
  614   1HB   ALA  78          1HB       ALA  78   2.312  -0.027  -0.027
  615   2HB   ALA  78          3HB       ALA  78   2.929  -1.523  -1.523
  616   3HB   ALA  78          2HB       ALA  78   2.559  -1.437  -1.437
  617    H    MET  79           H        MET  79   4.238   0.168   0.168
  618    HA   MET  79           HA       MET  79   5.788  -1.799  -1.799
  619   1HB   MET  79          2HB       MET  79   5.108   1.075   1.075
  620   2HB   MET  79          1HB       MET  79   6.374   0.380   0.380
  621   1HG   MET  79          2HG       MET  79   4.684  -0.386  -0.386
  622   2HG   MET  79          1HG       MET  79   4.440  -1.590  -1.590
  623   1HE   MET  79          3HE       MET  79   3.904   1.744   1.744
  624   2HE   MET  79          2HE       MET  79   2.379   1.178   1.178
  625   3HE   MET  79          1HE       MET  79   2.372   2.375   2.375
  626    H    ILE  80           H        ILE  80   6.812   1.088   1.088
  627    HA   ILE  80           HA       ILE  80   9.643   0.897   0.897
  628    HB   ILE  80           HB       ILE  80   8.080   2.169   2.169
  629   1HG1  ILE  80          2HG1      ILE  80   7.489   2.770   2.770
  630   2HG1  ILE  80          1HG1      ILE  80   7.968   4.112   4.112
  631   1HG2  ILE  80          2HG2      ILE  80  10.942   2.319   2.319
  632   2HG2  ILE  80          1HG2      ILE  80  10.172   3.774   3.774
  633   3HG2  ILE  80          3HG2      ILE  80  10.263   2.322   2.322
  634   1HD1  ILE  80          1HD1      ILE  80  10.305   2.944   2.944
  635   2HD1  ILE  80          3HD1      ILE  80   9.129   3.358   3.358
  636   3HD1  ILE  80          2HD1      ILE  80   9.704   4.597   4.597
  637    H    THR  81           H        THR  81   8.135   0.655   0.655
  638    HA   THR  81           HA       THR  81  10.048  -0.655  -0.655
  639    HB   THR  81           HB       THR  81   7.046  -0.962  -0.962
  640    HG1  THR  81           HG1      THR  81   7.915   1.035   1.035
  641   1HG2  THR  81          1HG2      THR  81   8.982  -2.094  -2.094
  642   2HG2  THR  81          3HG2      THR  81   7.243  -1.964  -1.964
  643   3HG2  THR  81          2HG2      THR  81   7.869  -3.003  -3.003
  644    H    THR  82           H        THR  82   7.683  -2.266  -2.266
  645    HA   THR  82           HA       THR  82   8.569  -4.943  -4.943
  646    HB   THR  82           HB       THR  82   7.438  -4.004  -4.004
  647    HG1  THR  82           HG1      THR  82   5.590  -3.489  -3.489
  648   1HG2  THR  82          2HG2      THR  82   7.917  -6.465  -6.465
  649   2HG2  THR  82          1HG2      THR  82   6.545  -6.307  -6.307
  650   3HG2  THR  82          3HG2      THR  82   6.314  -6.085  -6.085
  651    H    ALA  83           H        ALA  83   9.596  -2.497  -2.497
  652    HA   ALA  83           HA       ALA  83  11.580  -4.342  -4.342
  653   1HB   ALA  83          2HB       ALA  83   9.997  -2.363  -2.363
  654   2HB   ALA  83          1HB       ALA  83  11.480  -1.454  -1.454
  655   3HB   ALA  83          3HB       ALA  83  11.503  -2.858  -2.858
  656    H    CYS  84           H        CYS  84  11.549  -2.659  -2.659
  657    HA   CYS  84           HA       CYS  84  14.198  -1.376  -1.376
  658   1HB   CYS  84          2HB       CYS  84  12.424  -0.237  -0.237
  659   2HB   CYS  84          1HB       CYS  84  12.195  -1.637  -1.637
  660    HG   CYS  84           HG       CYS  84  14.097   0.515   0.515
  661    H    HIS  85           H        HIS  85  13.525  -2.828  -2.828
  662    HA   HIS  85           HA       HIS  85  15.241  -5.183  -5.183
  663   1HB   HIS  85          2HB       HIS  85  16.244  -2.667  -2.667
  664   2HB   HIS  85          1HB       HIS  85  16.301  -3.720  -3.720
  665    HD1  HIS  85           HD1      HIS  85  17.554  -3.495  -3.495
  666    HD2  HIS  85           HD2      HIS  85  18.226  -5.766  -5.766
  667    HE1  HIS  85           HE1      HIS  85  19.605  -4.906  -4.906
  668    H    GLU  86           H        GLU  86  13.562  -6.489  -6.489
  669    HA   GLU  86           HA       GLU  86  13.388  -6.811  -6.811
  670   1HB   GLU  86          2HB       GLU  86  11.426  -5.163  -5.163
  671   2HB   GLU  86          1HB       GLU  86  10.726  -6.338  -6.338
  672   1HG   GLU  86          2HG       GLU  86  11.277  -5.063  -5.063
  673   2HG   GLU  86          1HG       GLU  86  12.964  -5.015  -5.015
  674    H    PHE  87           H        PHE  87  10.936  -8.215  -8.215
  675    HA   PHE  87           HA       PHE  87  11.521 -10.747 -10.747
  676   1HB   PHE  87          2HB       PHE  87   9.671 -10.887 -10.887
  677   2HB   PHE  87          1HB       PHE  87   9.111  -9.277  -9.277
  678    HD1  PHE  87           HD2      PHE  87   9.109 -12.842 -12.842
  679    HD2  PHE  87           HD1      PHE  87   7.624  -8.928  -8.928
  680    HE1  PHE  87           HE2      PHE  87   7.529 -13.842 -13.842
  681    HE2  PHE  87           HE1      PHE  87   6.082  -9.914  -9.914
  682    HZ   PHE  87           HZ       PHE  87   6.026 -12.388 -12.388
  683    H    PHE  88           H        PHE  88   9.464  -8.252  -8.252
  684    HA   PHE  88           HA       PHE  88   8.534  -9.227  -9.227
  685   1HB   PHE  88          2HB       PHE  88  10.095  -6.693  -6.693
  686   2HB   PHE  88          1HB       PHE  88   9.198  -6.987  -6.987
  687    HD1  PHE  88           HD2      PHE  88   6.845  -8.432  -8.432
  688    HD2  PHE  88           HD1      PHE  88   8.850  -5.119  -5.119
  689    HE1  PHE  88           HE2      PHE  88   4.739  -7.780  -7.780
  690    HE2  PHE  88           HE1      PHE  88   6.738  -4.466  -4.466
  691    HZ   PHE  88           HZ       PHE  88   4.676  -5.795  -5.795
  692    H    GLU  89           H        GLU  89   9.580 -10.885 -10.885
  693    HA   GLU  89           HA       GLU  89  11.146 -11.874 -11.874
  694   1HB   GLU  89          2HB       GLU  89  10.732  -9.189  -9.189
  695   2HB   GLU  89          1HB       GLU  89  12.489  -9.359  -9.359
  696   1HG   GLU  89          2HG       GLU  89  12.196 -11.423 -11.423
  697   2HG   GLU  89          1HG       GLU  89  10.495 -10.983 -10.983
  698    H    HIS  90           H        HIS  90  12.049 -12.434 -12.434
  699    HA   HIS  90           HA       HIS  90  14.008 -12.869 -12.869
  700   1HB   HIS  90          2HB       HIS  90  14.760 -12.263 -12.263
  701   2HB   HIS  90          1HB       HIS  90  16.030 -11.791 -11.791
  702    HD1  HIS  90           HD1      HIS  90  13.828 -14.820 -14.820
  703    HD2  HIS  90           HD2      HIS  90  17.569 -13.921 -13.921
  704    HE1  HIS  90           HE1      HIS  90  14.961 -17.037 -17.037
  705    H    GLU  91           H        GLU  91  15.116  -9.937  -9.937
  706    HA   GLU  91           HA       GLU  91  14.454  -7.993  -7.993
  707   1HB   GLU  91          2HB       GLU  91  16.299  -9.941  -9.941
  708   2HB   GLU  91          1HB       GLU  91  17.218  -8.454  -8.454
  709   1HG   GLU  91          2HG       GLU  91  15.399  -7.243  -7.243
  710   2HG   GLU  91          1HG       GLU  91  14.732  -8.826  -8.826
  711   1H    MET   0          1H        MET   0   4.890   9.469   9.469
  712   2H    MET   0          3H        MET   0   4.852  10.399  10.399
  713   3H    MET   0          2H        MET   0   5.009  11.161  11.161
  714    HA   MET   0           HA       MET   0   7.216  10.707  10.707
  715   1HB   MET   0          2HB       MET   0   6.468  10.607  10.607
  716   2HB   MET   0          1HB       MET   0   8.133  10.786  10.786
  717   1HG   MET   0          2HG       MET   0   6.744  12.673  12.673
  718   2HG   MET   0          1HG       MET   0   5.992  12.771  12.771
  719   1HE   MET   0          1HE       MET   0   9.022  12.641  12.641
  720   2HE   MET   0          3HE       MET   0  10.323  13.466  13.466
  721   3HE   MET   0          2HE       MET   0   9.895  11.808  11.808
  722    H    SER   1           H        SER   1   8.904   9.224   9.224
  723    HA   SER   1           HA       SER   1   9.352   6.795   6.795
  724   1HB   SER   1          2HB       SER   1  10.498   6.269   6.269
  725   2HB   SER   1          1HB       SER   1  10.392   8.027   8.027
  726    HG   SER   1           HG       SER   1   9.712   6.718   6.718
  727    H    GLU   2           H        GLU   2   6.657   7.500   7.500
  728    HA   GLU   2           HA       GLU   2   5.732   5.050   5.050
  729   1HB   GLU   2          2HB       GLU   2   4.340   7.421   7.421
  730   2HB   GLU   2          1HB       GLU   2   3.425   6.074   6.074
  731   1HG   GLU   2          2HG       GLU   2   4.598   6.394   6.394
  732   2HG   GLU   2          1HG       GLU   2   5.445   7.783   7.783
  733    H    LEU   3           H        LEU   3   5.867   6.198   6.198
  734    HA   LEU   3           HA       LEU   3   4.195   4.067   4.067
  735   1HB   LEU   3          2HB       LEU   3   4.164   6.147   6.147
  736   2HB   LEU   3          1HB       LEU   3   5.910   6.331   6.331
  737    HG   LEU   3           HG       LEU   3   4.876   5.729   5.729
  738   1HD1  LEU   3          3HD1      LEU   3   7.344   5.402   5.402
  739   2HD1  LEU   3          2HD1      LEU   3   6.966   3.729   3.729
  740   3HD1  LEU   3          1HD1      LEU   3   6.938   4.976   4.976
  741   1HD2  LEU   3          2HD2      LEU   3   3.830   3.613   3.613
  742   2HD2  LEU   3          1HD2      LEU   3   3.865   3.723   3.723
  743   3HD2  LEU   3          3HD2      LEU   3   5.157   2.882   2.882
  744    H    GLU   4           H        GLU   4   7.702   4.874   4.874
  745    HA   GLU   4           HA       GLU   4   8.479   2.514   2.514
  746   1HB   GLU   4          2HB       GLU   4  10.085   4.228   4.228
  747   2HB   GLU   4          1HB       GLU   4   9.819   4.423   4.423
  748   1HG   GLU   4          2HG       GLU   4  10.711   1.727   1.727
  749   2HG   GLU   4          1HG       GLU   4  11.866   2.950   2.950
  750    H    LYS   5           H        LYS   5   8.330   3.158   3.158
  751    HA   LYS   5           HA       LYS   5   9.175   0.572   0.572
  752   1HB   LYS   5          2HB       LYS   5   7.170   2.398   2.398
  753   2HB   LYS   5          1HB       LYS   5   8.370   1.355   1.355
  754   1HG   LYS   5          2HG       LYS   5   9.794   3.084   3.084
  755   2HG   LYS   5          1HG       LYS   5   8.662   4.094   4.094
  756   1HD   LYS   5          2HD       LYS   5   9.504   3.299   3.299
  757   2HD   LYS   5          1HD       LYS   5  10.475   2.058   2.058
  758   1HE   LYS   5          2HE       LYS   5  11.644   4.021   4.021
  759   2HE   LYS   5          1HE       LYS   5  10.917   5.048   5.048
  760   1HZ   LYS   5          2HZ       LYS   5  12.274   2.544   2.544
  761   2HZ   LYS   5          1HZ       LYS   5  13.197   3.941   3.941
  762   3HZ   LYS   5          3HZ       LYS   5  12.019   3.944   3.944
  763    H    ALA   6           H        ALA   6   5.934   1.910   1.910
  764    HA   ALA   6           HA       ALA   6   4.487  -0.507  -0.507
  765   1HB   ALA   6          3HB       ALA   6   4.039   2.030   2.030
  766   2HB   ALA   6          2HB       ALA   6   2.864   0.723   0.723
  767   3HB   ALA   6          1HB       ALA   6   3.188   1.444   1.444
  768    H    VAL   7           H        VAL   7   6.359   0.633   0.633
  769    HA   VAL   7           HA       VAL   7   5.376  -1.231  -1.231
  770    HB   VAL   7           HB       VAL   7   7.182   0.998   0.998
  771   1HG1  VAL   7          3HG1      VAL   7   8.375  -1.464  -1.464
  772   2HG1  VAL   7          2HG1      VAL   7   8.828   0.141   0.141
  773   3HG1  VAL   7          1HG1      VAL   7   9.120  -0.309  -0.309
  774   1HG2  VAL   7          3HG2      VAL   7   5.261   0.713   0.713
  775   2HG2  VAL   7          2HG2      VAL   7   6.742   1.318   1.318
  776   3HG2  VAL   7          1HG2      VAL   7   6.283  -0.373  -0.373
  777    H    VAL   8           H        VAL   8   8.263  -1.094  -1.094
  778    HA   VAL   8           HA       VAL   8   9.407  -3.592  -3.592
  779    HB   VAL   8           HB       VAL   8   9.460  -1.924  -1.924
  780   1HG1  VAL   8          1HG1      VAL   8  10.820  -4.522  -4.522
  781   2HG1  VAL   8          3HG1      VAL   8  11.632  -3.341  -3.341
  782   3HG1  VAL   8          2HG1      VAL   8  10.074  -4.012  -4.012
  783   1HG2  VAL   8          3HG2      VAL   8  10.458  -1.033  -1.033
  784   2HG2  VAL   8          2HG2      VAL   8  11.617  -1.202  -1.202
  785   3HG2  VAL   8          1HG2      VAL   8  11.574  -2.398  -2.398
  786    H    ALA   9           H        ALA   9   6.660  -2.765  -2.765
  787    HA   ALA   9           HA       ALA   9   6.490  -5.268  -5.268
  788   1HB   ALA   9          1HB       ALA   9   5.367  -2.714  -2.714
  789   2HB   ALA   9          3HB       ALA   9   4.022  -3.750  -3.750
  790   3HB   ALA   9          2HB       ALA   9   4.892  -4.071  -4.071
  791    H    LEU  10           H        LEU  10   4.968  -3.913  -3.913
  792    HA   LEU  10           HA       LEU  10   3.177  -6.088  -6.088
  793   1HB   LEU  10          2HB       LEU  10   4.597  -4.235  -4.235
  794   2HB   LEU  10          1HB       LEU  10   3.128  -5.141  -5.141
  795    HG   LEU  10           HG       LEU  10   3.425  -3.031  -3.031
  796   1HD1  LEU  10          1HD1      LEU  10   3.176  -2.628  -2.628
  797   2HD1  LEU  10          3HD1      LEU  10   1.493  -2.634  -2.634
  798   3HD1  LEU  10          2HD1      LEU  10   2.636  -1.494  -1.494
  799   1HD2  LEU  10          1HD2      LEU  10   1.504  -5.143  -5.143
  800   2HD2  LEU  10          3HD2      LEU  10   1.575  -3.965  -3.965
  801   3HD2  LEU  10          2HD2      LEU  10   0.720  -3.574  -3.574
  802    H    ILE  11           H        ILE  11   6.540  -5.493  -5.493
  803    HA   ILE  11           HA       ILE  11   6.887  -7.719  -7.719
  804    HB   ILE  11           HB       ILE  11   9.227  -7.480  -7.480
  805   1HG1  ILE  11          2HG1      ILE  11   9.510  -5.842  -5.842
  806   2HG1  ILE  11          1HG1      ILE  11   8.189  -6.900  -6.900
  807   1HG2  ILE  11          2HG2      ILE  11   7.554  -5.170  -5.170
  808   2HG2  ILE  11          1HG2      ILE  11   8.938  -4.750  -4.750
  809   3HG2  ILE  11          3HG2      ILE  11   9.190  -5.429  -5.429
  810   1HD1  ILE  11          1HD1      ILE  11   9.722  -8.811  -8.811
  811   2HD1  ILE  11          3HD1      ILE  11  11.011  -7.623  -7.623
  812   3HD1  ILE  11          2HD1      ILE  11  10.061  -8.127  -8.127
  813    H    ASP  12           H        ASP  12   6.474  -7.500  -7.500
  814    HA   ASP  12           HA       ASP  12   7.213 -10.283 -10.283
  815   1HB   ASP  12          2HB       ASP  12   6.845  -7.813  -7.813
  816   2HB   ASP  12          1HB       ASP  12   5.613  -8.908  -8.908
  817    H    VAL  13           H        VAL  13   4.263  -8.283  -8.283
  818    HA   VAL  13           HA       VAL  13   2.329 -10.258 -10.258
  819    HB   VAL  13           HB       VAL  13   2.255  -7.939  -7.939
  820   1HG1  VAL  13          2HG1      VAL  13   0.059  -9.483  -9.483
  821   2HG1  VAL  13          1HG1      VAL  13  -0.197  -7.965  -7.965
  822   3HG1  VAL  13          3HG1      VAL  13   0.340  -9.398  -9.398
  823   1HG2  VAL  13          1HG2      VAL  13   2.149  -8.164  -8.164
  824   2HG2  VAL  13          3HG2      VAL  13   2.719  -6.832  -6.832
  825   3HG2  VAL  13          2HG2      VAL  13   0.990  -7.061  -7.061
  826    H    PHE  14           H        PHE  14   3.576  -9.263  -9.263
  827    HA   PHE  14           HA       PHE  14   2.235 -11.239 -11.239
  828   1HB   PHE  14          2HB       PHE  14   4.554  -9.458  -9.458
  829   2HB   PHE  14          1HB       PHE  14   4.782 -11.009 -11.009
  830    HD1  PHE  14           HD2      PHE  14   2.869 -11.924 -11.924
  831    HD2  PHE  14           HD1      PHE  14   3.154  -7.825  -7.825
  832    HE1  PHE  14           HE2      PHE  14   1.309 -11.281 -11.281
  833    HE2  PHE  14           HE1      PHE  14   1.585  -7.169  -7.169
  834    HZ   PHE  14           HZ       PHE  14   0.654  -8.900  -8.900
  835    H    HIS  15           H        HIS  15   5.515 -11.401 -11.401
  836    HA   HIS  15           HA       HIS  15   6.458 -13.880 -13.880
  837   1HB   HIS  15          2HB       HIS  15   7.317 -12.223 -12.223
  838   2HB   HIS  15          1HB       HIS  15   6.171 -12.923 -12.923
  839    HD1  HIS  15           HD1      HIS  15   9.456 -13.516 -13.516
  840    HD2  HIS  15           HD2      HIS  15   6.713 -15.717 -15.717
  841    HE1  HIS  15           HE1      HIS  15  10.667 -15.605 -15.605
  842    H    GLN  16           H        GLN  16   3.858 -13.267 -13.267
  843    HA   GLN  16           HA       GLN  16   3.312 -16.154 -16.154
  844   1HB   GLN  16          2HB       GLN  16   1.995 -13.594 -13.594
  845   2HB   GLN  16          1HB       GLN  16   1.526 -15.217 -15.217
  846   1HG   GLN  16          2HG       GLN  16   3.501 -15.565 -15.565
  847   2HG   GLN  16          1HG       GLN  16   4.402 -14.394 -14.394
  848   1HE2  GLN  16          2HE2      GLN  16   2.924 -11.569 -11.569
  849   2HE2  GLN  16          1HE2      GLN  16   3.244 -12.032 -12.032
  850    H    TYR  17           H        TYR  17   1.200 -13.396 -13.396
  851    HA   TYR  17           HA       TYR  17  -0.954 -14.626 -14.626
  852   1HB   TYR  17          2HB       TYR  17   0.544 -12.065 -12.065
  853   2HB   TYR  17          1HB       TYR  17  -0.869 -12.451 -12.451
  854    HD1  TYR  17           HD1      TYR  17  -3.094 -12.649 -12.649
  855    HD2  TYR  17           HD2      TYR  17   0.333 -11.676 -11.676
  856    HE1  TYR  17           HE1      TYR  17  -4.588 -11.969 -11.969
  857    HE2  TYR  17           HE2      TYR  17  -1.158 -10.975 -10.975
  858    HH   TYR  17           HH       TYR  17  -4.018 -11.840 -11.840
  859    H    SER  18           H        SER  18   2.239 -14.240 -14.240
  860    HA   SER  18           HA       SER  18   1.251 -15.159 -15.159
  861   1HB   SER  18          2HB       SER  18   3.153 -14.153 -14.153
  862   2HB   SER  18          1HB       SER  18   3.242 -13.480 -13.480
  863    HG   SER  18           HG       SER  18   4.981 -14.617 -14.617
  864    H    GLY  19           H        GLY  19   3.609 -16.316 -16.316
  865   1HA   GLY  19          2HA       GLY  19   3.398 -19.009 -19.009
  866   2HA   GLY  19          1HA       GLY  19   4.809 -18.450 -18.450
  867    H    ARG  20           H        ARG  20   1.403 -18.132 -18.132
  868    HA   ARG  20           HA       ARG  20   2.121 -19.614 -19.614
  869   1HB   ARG  20          2HB       ARG  20   0.016 -18.595 -18.595
  870   2HB   ARG  20          1HB       ARG  20   1.112 -17.374 -17.374
  871   1HG   ARG  20          2HG       ARG  20  -0.133 -17.308 -17.308
  872   2HG   ARG  20          1HG       ARG  20  -1.175 -18.619 -18.619
  873   1HD   ARG  20          2HD       ARG  20  -0.943 -15.906 -15.906
  874   2HD   ARG  20          1HD       ARG  20  -2.284 -16.420 -16.420
  875    HE   ARG  20           HE       ARG  20  -2.293 -18.452 -18.452
  876   1HH1  ARG  20          2HH1      ARG  20  -0.880 -17.527 -17.527
  877   2HH1  ARG  20          1HH1      ARG  20  -1.949 -16.470 -16.470
  878   1HH2  ARG  20          1HH2      ARG  20  -4.099 -16.026 -16.026
  879   2HH2  ARG  20          2HH2      ARG  20  -3.772 -15.621 -15.621
  880    H    GLU  21           H        GLU  21   1.011 -20.433 -20.433
  881    HA   GLU  21           HA       GLU  21  -0.581 -22.703 -22.703
  882   1HB   GLU  21          2HB       GLU  21  -1.889 -20.581 -20.581
  883   2HB   GLU  21          1HB       GLU  21  -1.493 -21.225 -21.225
  884   1HG   GLU  21          2HG       GLU  21  -2.372 -23.487 -23.487
  885   2HG   GLU  21          1HG       GLU  21  -3.332 -22.298 -22.298
  886    H    GLY  22           H        GLY  22   0.777 -21.246 -21.246
  887   1HA   GLY  22          2HA       GLY  22   2.477 -23.429 -23.429
  888   2HA   GLY  22          1HA       GLY  22   0.957 -23.667 -23.667
  889    H    ASP  23           H        ASP  23   0.377 -20.886 -20.886
  890    HA   ASP  23           HA       ASP  23   1.625 -20.405 -20.405
  891   1HB   ASP  23          2HB       ASP  23   0.407 -18.553 -18.553
  892   2HB   ASP  23          1HB       ASP  23   0.791 -18.049 -18.049
  893    H    LYS  24           H        LYS  24   3.220 -18.698 -18.698
  894    HA   LYS  24           HA       LYS  24   5.495 -18.688 -18.688
  895   1HB   LYS  24          2HB       LYS  24   4.993 -17.923 -17.923
  896   2HB   LYS  24          1HB       LYS  24   6.502 -17.478 -17.478
  897   1HG   LYS  24          2HG       LYS  24   7.236 -19.653 -19.653
  898   2HG   LYS  24          1HG       LYS  24   5.604 -20.305 -20.305
  899   1HD   LYS  24          2HD       LYS  24   5.594 -19.185 -19.185
  900   2HD   LYS  24          1HD       LYS  24   7.214 -19.871 -19.871
  901   1HE   LYS  24          2HE       LYS  24   6.283 -22.055 -22.055
  902   2HE   LYS  24          1HE       LYS  24   4.641 -21.382 -21.382
  903   1HZ   LYS  24          2HZ       LYS  24   6.444 -21.089 -21.089
  904   2HZ   LYS  24          1HZ       LYS  24   5.504 -22.491 -22.491
  905   3HZ   LYS  24          3HZ       LYS  24   4.749 -20.979 -20.979
  906    H    HIS  25           H        HIS  25   4.922 -15.966 -15.966
  907    HA   HIS  25           HA       HIS  25   4.640 -14.212 -14.212
  908   1HB   HIS  25          2HB       HIS  25   6.025 -13.946 -13.946
  909   2HB   HIS  25          1HB       HIS  25   5.686 -12.532 -12.532
  910    HD1  HIS  25           HD1      HIS  25   8.514 -12.684 -12.684
  911    HD2  HIS  25           HD2      HIS  25   6.477 -15.325 -15.325
  912    HE1  HIS  25           HE1      HIS  25  10.207 -13.525 -13.525
  913    H    LYS  26           H        LYS  26   2.259 -15.140 -15.140
  914    HA   LYS  26           HA       LYS  26   0.974 -12.749 -12.749
  915   1HB   LYS  26          2HB       LYS  26   1.116 -15.433 -15.433
  916   2HB   LYS  26          1HB       LYS  26  -0.336 -14.449 -14.449
  917   1HG   LYS  26          2HG       LYS  26   0.733 -13.270 -13.270
  918   2HG   LYS  26          1HG       LYS  26   1.847 -12.693 -12.693
  919   1HD   LYS  26          2HD       LYS  26   2.574 -15.370 -15.370
  920   2HD   LYS  26          1HD       LYS  26   2.398 -14.454 -14.454
  921   1HE   LYS  26          2HE       LYS  26   3.772 -12.621 -12.621
  922   2HE   LYS  26          1HE       LYS  26   4.345 -14.062 -14.062
  923   1HZ   LYS  26          2HZ       LYS  26   4.283 -13.776 -13.776
  924   2HZ   LYS  26          1HZ       LYS  26   5.673 -13.578 -13.578
  925   3HZ   LYS  26          3HZ       LYS  26   4.910 -15.090 -15.090
  926    H    LEU  27           H        LEU  27  -1.588 -13.361 -13.361
  927    HA   LEU  27           HA       LEU  27  -2.175 -15.094 -15.094
  928   1HB   LEU  27          2HB       LEU  27  -2.651 -12.154 -12.154
  929   2HB   LEU  27          1HB       LEU  27  -3.754 -13.082 -13.082
  930    HG   LEU  27           HG       LEU  27  -1.060 -13.828 -13.828
  931   1HD1  LEU  27          2HD1      LEU  27  -1.087 -11.231 -11.231
  932   2HD1  LEU  27          1HD1      LEU  27  -1.328 -11.009 -11.009
  933   3HD1  LEU  27          3HD1      LEU  27   0.087 -11.881 -11.881
  934   1HD2  LEU  27          3HD2      LEU  27  -3.500 -13.403 -13.403
  935   2HD2  LEU  27          2HD2      LEU  27  -1.986 -13.808 -13.808
  936   3HD2  LEU  27          1HD2      LEU  27  -2.479 -12.123 -12.123
  937    H    LYS  28           H        LYS  28  -4.747 -15.063 -15.063
  938    HA   LYS  28           HA       LYS  28  -5.971 -15.223 -15.223
  939   1HB   LYS  28          2HB       LYS  28  -5.199 -17.334 -17.334
  940   2HB   LYS  28          1HB       LYS  28  -6.906 -17.151 -17.151
  941   1HG   LYS  28          2HG       LYS  28  -7.372 -18.290 -18.290
  942   2HG   LYS  28          1HG       LYS  28  -6.808 -16.879 -16.879
  943   1HD   LYS  28          2HD       LYS  28  -5.314 -18.369 -18.369
  944   2HD   LYS  28          1HD       LYS  28  -4.429 -18.032 -18.032
  945   1HE   LYS  28          2HE       LYS  28  -5.203 -20.018 -20.018
  946   2HE   LYS  28          1HE       LYS  28  -6.502 -20.235 -20.235
  947   1HZ   LYS  28          1HZ       LYS  28  -3.631 -20.179 -20.179
  948   2HZ   LYS  28          3HZ       LYS  28  -4.452 -21.620 -21.620
  949   3HZ   LYS  28          2HZ       LYS  28  -4.945 -20.666 -20.666
  950    H    LYS  29           H        LYS  29  -8.279 -14.819 -14.819
  951    HA   LYS  29           HA       LYS  29  -9.333 -12.756 -12.756
  952   1HB   LYS  29          2HB       LYS  29 -10.642 -15.274 -15.274
  953   2HB   LYS  29          1HB       LYS  29 -11.561 -13.875 -13.875
  954   1HG   LYS  29          2HG       LYS  29 -10.940 -12.576 -12.576
  955   2HG   LYS  29          1HG       LYS  29  -9.365 -13.358 -13.358
  956   1HD   LYS  29          2HD       LYS  29 -10.403 -15.340 -15.340
  957   2HD   LYS  29          1HD       LYS  29 -12.008 -14.647 -14.647
  958   1HE   LYS  29          2HE       LYS  29 -11.808 -13.243 -13.243
  959   2HE   LYS  29          1HE       LYS  29 -10.079 -12.961 -12.961
  960   1HZ   LYS  29          3HZ       LYS  29 -11.076 -15.621 -15.621
  961   2HZ   LYS  29          2HZ       LYS  29 -10.726 -14.437 -14.437
  962   3HZ   LYS  29          1HZ       LYS  29  -9.505 -14.996 -14.996
  963    H    SER  30           H        SER  30  -8.930 -16.084 -16.084
  964    HA   SER  30           HA       SER  30 -10.642 -15.831 -15.831
  965   1HB   SER  30          2HB       SER  30  -9.548 -17.866 -17.866
  966   2HB   SER  30          1HB       SER  30  -8.485 -17.856 -17.856
  967    HG   SER  30           HG       SER  30 -10.208 -18.221 -18.221
  968    H    GLU  31           H        GLU  31  -7.075 -16.099 -16.099
  969    HA   GLU  31           HA       GLU  31  -6.386 -15.559 -15.559
  970   1HB   GLU  31          2HB       GLU  31  -4.978 -14.966 -14.966
  971   2HB   GLU  31          1HB       GLU  31  -4.196 -14.874 -14.874
  972   1HG   GLU  31          2HG       GLU  31  -4.950 -17.285 -17.285
  973   2HG   GLU  31          1HG       GLU  31  -5.357 -17.319 -17.319
  974    H    LEU  32           H        LEU  32  -7.018 -13.400 -13.400
  975    HA   LEU  32           HA       LEU  32  -6.250 -10.924 -10.924
  976   1HB   LEU  32          2HB       LEU  32  -8.072 -11.997 -11.997
  977   2HB   LEU  32          1HB       LEU  32  -8.606 -10.443 -10.443
  978    HG   LEU  32           HG       LEU  32  -5.957 -11.090 -11.090
  979   1HD1  LEU  32          2HD1      LEU  32  -8.451  -9.867  -9.867
  980   2HD1  LEU  32          1HD1      LEU  32  -7.127  -8.712  -8.712
  981   3HD1  LEU  32          3HD1      LEU  32  -7.041 -10.266 -10.266
  982   1HD2  LEU  32          1HD2      LEU  32  -6.718  -8.923  -8.923
  983   2HD2  LEU  32          3HD2      LEU  32  -5.141  -9.654  -9.654
  984   3HD2  LEU  32          2HD2      LEU  32  -5.777  -8.446  -8.446
  985    H    LYS  33           H        LYS  33  -9.360 -12.659 -12.659
  986    HA   LYS  33           HA       LYS  33 -10.740 -10.795 -10.795
  987   1HB   LYS  33          2HB       LYS  33 -10.775 -13.701 -13.701
  988   2HB   LYS  33          1HB       LYS  33 -11.564 -13.238 -13.238
  989   1HG   LYS  33          2HG       LYS  33 -12.130 -11.892 -11.892
  990   2HG   LYS  33          1HG       LYS  33 -13.087 -13.232 -13.232
  991   1HD   LYS  33          2HD       LYS  33 -13.339 -11.808 -11.808
  992   2HD   LYS  33          1HD       LYS  33 -12.759 -10.462 -10.462
  993   1HE   LYS  33          2HE       LYS  33 -14.850 -10.196 -10.196
  994   2HE   LYS  33          1HE       LYS  33 -14.772 -11.831 -11.831
  995   1HZ   LYS  33          3HZ       LYS  33 -15.384 -11.249 -11.249
  996   2HZ   LYS  33          2HZ       LYS  33 -16.571 -11.541 -11.541
  997   3HZ   LYS  33          1HZ       LYS  33 -15.458 -12.758 -12.758
  998    H    GLU  34           H        GLU  34  -8.661 -13.542 -13.542
  999    HA   GLU  34           HA       GLU  34  -8.750 -13.163 -13.163
 1000   1HB   GLU  34          2HB       GLU  34  -6.418 -14.001 -14.001
 1001   2HB   GLU  34          1HB       GLU  34  -6.645 -14.425 -14.425
 1002   1HG   GLU  34          2HG       GLU  34  -9.018 -15.265 -15.265
 1003   2HG   GLU  34          1HG       GLU  34  -7.925 -15.565 -15.565
 1004    H    LEU  35           H        LEU  35  -6.755 -11.619 -11.619
 1005    HA   LEU  35           HA       LEU  35  -4.980 -10.186 -10.186
 1006   1HB   LEU  35          2HB       LEU  35  -5.226 -10.627 -10.627
 1007   2HB   LEU  35          1HB       LEU  35  -5.930  -9.011  -9.011
 1008    HG   LEU  35           HG       LEU  35  -3.407  -9.430  -9.430
 1009   1HD1  LEU  35          3HD1      LEU  35  -3.184 -10.593 -10.593
 1010   2HD1  LEU  35          2HD1      LEU  35  -3.303  -8.972  -8.972
 1011   3HD1  LEU  35          1HD1      LEU  35  -1.978  -9.372  -9.372
 1012   1HD2  LEU  35          2HD2      LEU  35  -4.945  -7.295  -7.295
 1013   2HD2  LEU  35          1HD2      LEU  35  -3.193  -7.157  -7.157
 1014   3HD2  LEU  35          3HD2      LEU  35  -3.934  -7.203  -7.203
 1015    H    ILE  36           H        ILE  36  -8.282  -9.529  -9.529
 1016    HA   ILE  36           HA       ILE  36  -8.230  -6.809  -6.809
 1017    HB   ILE  36           HB       ILE  36 -10.086  -8.518  -8.518
 1018   1HG1  ILE  36          2HG1      ILE  36 -10.091  -6.434  -6.434
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.994  -5.697  -5.697
 1020   1HG2  ILE  36          3HG2      ILE  36 -10.897  -6.494  -6.494
 1021   2HG2  ILE  36          2HG2      ILE  36 -11.503  -6.186  -6.186
 1022   3HG2  ILE  36          1HG2      ILE  36 -11.868  -7.714  -7.714
 1023   1HD1  ILE  36          3HD1      ILE  36  -8.446  -8.229  -8.229
 1024   2HD1  ILE  36          2HD1      ILE  36  -7.746  -6.645  -6.645
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.351  -7.488  -7.488
 1026    H    ASN  37           H        ASN  37  -9.271 -10.060 -10.060
 1027    HA   ASN  37           HA       ASN  37 -10.937  -9.176  -9.176
 1028   1HB   ASN  37          2HB       ASN  37 -10.098 -11.974 -11.974
 1029   2HB   ASN  37          1HB       ASN  37 -11.583 -11.428 -11.428
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.326 -12.170 -12.170
 1031   2HD2  ASN  37          1HD2      ASN  37 -11.699 -13.085 -13.085
 1032    H    ASN  38           H        ASN  38  -7.719 -10.480 -10.480
 1033    HA   ASN  38           HA       ASN  38  -7.216 -11.081 -11.081
 1034   1HB   ASN  38          2HB       ASN  38  -5.578 -11.004 -11.004
 1035   2HB   ASN  38          1HB       ASN  38  -4.879 -11.432 -11.432
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.781 -14.760 -14.760
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.495 -13.664 -13.664
 1038    H    GLU  39           H        GLU  39  -7.175  -8.285  -8.285
 1039    HA   GLU  39           HA       GLU  39  -5.400  -6.858  -6.858
 1040   1HB   GLU  39          2HB       GLU  39  -5.680  -6.684  -6.684
 1041   2HB   GLU  39          1HB       GLU  39  -4.838  -5.463  -5.463
 1042   1HG   GLU  39          2HG       GLU  39  -3.004  -6.745  -6.745
 1043   2HG   GLU  39          1HG       GLU  39  -3.846  -7.922  -7.922
 1044    H    LEU  40           H        LEU  40  -8.047  -6.426  -6.426
 1045    HA   LEU  40           HA       LEU  40  -8.905  -3.967  -3.967
 1046   1HB   LEU  40          2HB       LEU  40  -9.860  -5.223  -5.223
 1047   2HB   LEU  40          1HB       LEU  40 -10.249  -3.604  -3.604
 1048    HG   LEU  40           HG       LEU  40  -7.407  -4.523  -4.523
 1049   1HD1  LEU  40          1HD1      LEU  40  -9.496  -3.659  -3.659
 1050   2HD1  LEU  40          3HD1      LEU  40  -7.968  -2.788  -2.788
 1051   3HD1  LEU  40          2HD1      LEU  40  -7.999  -4.544  -4.544
 1052   1HD2  LEU  40          1HD2      LEU  40  -8.594  -2.238  -2.238
 1053   2HD2  LEU  40          3HD2      LEU  40  -6.889  -2.487  -2.487
 1054   3HD2  LEU  40          2HD2      LEU  40  -7.950  -1.715  -1.715
 1055    H    SER  41           H        SER  41  -9.487  -5.799  -5.799
 1056    HA   SER  41           HA       SER  41 -11.578  -7.606  -7.606
 1057   1HB   SER  41          2HB       SER  41 -12.043  -6.704  -6.704
 1058   2HB   SER  41          1HB       SER  41 -10.465  -7.399  -7.399
 1059    HG   SER  41           HG       SER  41  -9.940  -5.495  -5.495
 1060    H    HIS  42           H        HIS  42 -11.838  -4.059  -4.059
 1061    HA   HIS  42           HA       HIS  42 -14.559  -3.699  -3.699
 1062   1HB   HIS  42          2HB       HIS  42 -12.636  -2.325  -2.325
 1063   2HB   HIS  42          1HB       HIS  42 -14.240  -1.687  -1.687
 1064    HD1  HIS  42           HD1      HIS  42 -14.710  -1.089  -1.089
 1065    HD2  HIS  42           HD2      HIS  42 -10.720  -1.846  -1.846
 1066    HE1  HIS  42           HE1      HIS  42 -13.338  -0.213  -0.213
 1067    H    PHE  43           H        PHE  43 -12.989  -4.684  -4.684
 1068    HA   PHE  43           HA       PHE  43 -15.509  -4.659  -4.659
 1069   1HB   PHE  43          2HB       PHE  43 -12.672  -5.536  -5.536
 1070   2HB   PHE  43          1HB       PHE  43 -13.941  -5.946  -5.946
 1071    HD1  PHE  43           HD2      PHE  43 -15.577  -3.283  -3.283
 1072    HD2  PHE  43           HD1      PHE  43 -11.499  -4.119  -4.119
 1073    HE1  PHE  43           HE2      PHE  43 -15.365  -1.026  -1.026
 1074    HE2  PHE  43           HE1      PHE  43 -11.296  -1.854  -1.854
 1075    HZ   PHE  43           HZ       PHE  43 -13.232  -0.317  -0.317
 1076    H    LEU  44           H        LEU  44 -14.042  -6.829  -6.829
 1077    HA   LEU  44           HA       LEU  44 -14.665  -9.392  -9.392
 1078   1HB   LEU  44          2HB       LEU  44 -13.741  -8.446  -8.446
 1079   2HB   LEU  44          1HB       LEU  44 -15.433  -8.485  -8.485
 1080    HG   LEU  44           HG       LEU  44 -15.526 -10.885 -10.885
 1081   1HD1  LEU  44          3HD1      LEU  44 -13.157 -10.202 -10.202
 1082   2HD1  LEU  44          2HD1      LEU  44 -12.645 -11.270 -11.270
 1083   3HD1  LEU  44          1HD1      LEU  44 -13.850 -11.819 -11.819
 1084   1HD2  LEU  44          1HD2      LEU  44 -13.881  -9.738  -9.738
 1085   2HD2  LEU  44          3HD2      LEU  44 -15.145 -10.964 -10.964
 1086   3HD2  LEU  44          2HD2      LEU  44 -13.502 -11.422 -11.422
 1087    H    GLU  45           H        GLU  45 -16.697  -6.798  -6.798
 1088    HA   GLU  45           HA       GLU  45 -19.200  -8.363  -8.363
 1089   1HB   GLU  45          2HB       GLU  45 -18.148  -5.850  -5.850
 1090   2HB   GLU  45          1HB       GLU  45 -19.740  -5.650  -5.650
 1091   1HG   GLU  45          2HG       GLU  45 -19.193  -7.931  -7.931
 1092   2HG   GLU  45          1HG       GLU  45 -19.649  -6.338  -6.338
 1093    H    GLU  46           H        GLU  46 -17.337  -6.011  -6.011
 1094    HA   GLU  46           HA       GLU  46 -17.521  -5.265  -5.265
 1095   1HB   GLU  46          2HB       GLU  46 -18.128  -7.812  -7.812
 1096   2HB   GLU  46          1HB       GLU  46 -19.773  -7.235  -7.235
 1097   1HG   GLU  46          2HG       GLU  46 -19.317  -6.825  -6.825
 1098   2HG   GLU  46          1HG       GLU  46 -17.962  -5.790  -5.790
 1099    H    ILE  47           H        ILE  47 -20.835  -6.130  -6.130
 1100    HA   ILE  47           HA       ILE  47 -22.390  -4.244  -4.244
 1101    HB   ILE  47           HB       ILE  47 -22.937  -6.019  -6.019
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.587  -4.406  -4.406
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.005  -4.921  -4.921
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.170  -3.657  -3.657
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.164  -4.995  -4.995
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.509  -5.290  -5.290
 1107   1HD1  ILE  47          2HD1      ILE  47 -23.407  -2.690  -2.690
 1108   2HD1  ILE  47          1HD1      ILE  47 -24.351  -2.247  -2.247
 1109   3HD1  ILE  47          3HD1      ILE  47 -25.167  -2.721  -2.721
 1110    H    LYS  48           H        LYS  48 -20.084  -3.698  -3.698
 1111    HA   LYS  48           HA       LYS  48 -20.672  -1.222  -1.222
 1112   1HB   LYS  48          2HB       LYS  48 -17.993  -2.144  -2.144
 1113   2HB   LYS  48          1HB       LYS  48 -18.222  -0.935  -0.935
 1114   1HG   LYS  48          2HG       LYS  48 -18.877  -3.888  -3.888
 1115   2HG   LYS  48          1HG       LYS  48 -17.687  -3.004  -3.004
 1116   1HD   LYS  48          2HD       LYS  48 -19.553  -1.636  -1.636
 1117   2HD   LYS  48          1HD       LYS  48 -20.697  -2.680  -2.680
 1118   1HE   LYS  48          2HE       LYS  48 -20.448  -4.355  -4.355
 1119   2HE   LYS  48          1HE       LYS  48 -18.682  -4.171  -4.171
 1120   1HZ   LYS  48          2HZ       LYS  48 -18.974  -2.128  -2.128
 1121   2HZ   LYS  48          1HZ       LYS  48 -20.652  -2.389  -2.389
 1122   3HZ   LYS  48          3HZ       LYS  48 -19.607  -3.477  -3.477
 1123    H    GLU  49           H        GLU  49 -19.859  -1.942  -1.942
 1124    HA   GLU  49           HA       GLU  49 -20.247   0.933   0.933
 1125   1HB   GLU  49          2HB       GLU  49 -18.183   0.577   0.577
 1126   2HB   GLU  49          1HB       GLU  49 -17.886   0.761   0.761
 1127   1HG   GLU  49          2HG       GLU  49 -17.220  -1.409  -1.409
 1128   2HG   GLU  49          1HG       GLU  49 -18.407  -2.013  -2.013
 1129    H    GLN  50           H        GLN  50 -22.288   0.141   0.141
 1130    HA   GLN  50           HA       GLN  50 -22.472  -1.998  -1.998
 1131   1HB   GLN  50          2HB       GLN  50 -24.595  -0.784  -0.784
 1132   2HB   GLN  50          1HB       GLN  50 -24.412  -1.067  -1.067
 1133   1HG   GLN  50          2HG       GLN  50 -23.195   1.355   1.355
 1134   2HG   GLN  50          1HG       GLN  50 -24.390   1.482   1.482
 1135   1HE2  GLN  50          2HE2      GLN  50 -25.650   1.269   1.269
 1136   2HE2  GLN  50          1HE2      GLN  50 -24.050   0.858   0.858
 1137    H    GLU  51           H        GLU  51 -22.207   1.542   1.542
 1138    HA   GLU  51           HA       GLU  51 -22.076   1.305   1.305
 1139   1HB   GLU  51          2HB       GLU  51 -22.491   3.397   3.397
 1140   2HB   GLU  51          1HB       GLU  51 -20.896   3.324   3.324
 1141   1HG   GLU  51          2HG       GLU  51 -20.183   3.076   3.076
 1142   2HG   GLU  51          1HG       GLU  51 -21.641   4.055   4.055
 1143    H    VAL  52           H        VAL  52 -19.494   1.258   1.258
 1144    HA   VAL  52           HA       VAL  52 -17.399   1.029   1.029
 1145    HB   VAL  52           HB       VAL  52 -17.157   0.382   0.382
 1146   1HG1  VAL  52          2HG1      VAL  52 -15.345   0.484   0.484
 1147   2HG1  VAL  52          1HG1      VAL  52 -15.178   2.075   2.075
 1148   3HG1  VAL  52          3HG1      VAL  52 -14.935   0.622   0.622
 1149   1HG2  VAL  52          1HG2      VAL  52 -17.864   2.958   2.958
 1150   2HG2  VAL  52          3HG2      VAL  52 -18.145   2.418   2.418
 1151   3HG2  VAL  52          2HG2      VAL  52 -16.559   3.030   3.030
 1152    H    VAL  53           H        VAL  53 -19.231  -1.121  -1.121
 1153    HA   VAL  53           HA       VAL  53 -17.815  -3.541  -3.541
 1154    HB   VAL  53           HB       VAL  53 -20.688  -2.704  -2.704
 1155   1HG1  VAL  53          2HG1      VAL  53 -19.802  -5.547  -5.547
 1156   2HG1  VAL  53          1HG1      VAL  53 -21.395  -5.098  -5.098
 1157   3HG1  VAL  53          3HG1      VAL  53 -20.878  -4.562  -4.562
 1158   1HG2  VAL  53          3HG2      VAL  53 -18.569  -3.492  -3.492
 1159   2HG2  VAL  53          2HG2      VAL  53 -20.243  -3.205  -3.205
 1160   3HG2  VAL  53          1HG2      VAL  53 -19.718  -4.830  -4.830
 1161    H    ASP  54           H        ASP  54 -19.805  -1.677  -1.677
 1162    HA   ASP  54           HA       ASP  54 -19.909  -3.626  -3.626
 1163   1HB   ASP  54          2HB       ASP  54 -21.610  -2.027  -2.027
 1164   2HB   ASP  54          1HB       ASP  54 -20.553  -0.736  -0.736
 1165    H    LYS  55           H        LYS  55 -17.982  -0.711  -0.711
 1166    HA   LYS  55           HA       LYS  55 -16.245  -0.909  -0.909
 1167   1HB   LYS  55          2HB       LYS  55 -16.281   0.498   0.498
 1168   2HB   LYS  55          1HB       LYS  55 -14.828   0.569   0.569
 1169   1HG   LYS  55          2HG       LYS  55 -16.010   2.434   2.434
 1170   2HG   LYS  55          1HG       LYS  55 -16.501   1.202   1.202
 1171   1HD   LYS  55          2HD       LYS  55 -18.486   0.729   0.729
 1172   2HD   LYS  55          1HD       LYS  55 -18.046   2.182   2.182
 1173   1HE   LYS  55          2HE       LYS  55 -18.545   3.605   3.605
 1174   2HE   LYS  55          1HE       LYS  55 -18.380   2.304   2.304
 1175   1HZ   LYS  55          2HZ       LYS  55 -20.359   1.986   1.986
 1176   2HZ   LYS  55          1HZ       LYS  55 -20.736   3.042   3.042
 1177   3HZ   LYS  55          3HZ       LYS  55 -20.394   1.412   1.412
 1178    H    VAL  56           H        VAL  56 -15.416  -1.399  -1.399
 1179    HA   VAL  56           HA       VAL  56 -12.988  -2.661  -2.661
 1180    HB   VAL  56           HB       VAL  56 -15.450  -3.196  -3.196
 1181   1HG1  VAL  56          1HG1      VAL  56 -13.131  -4.893  -4.893
 1182   2HG1  VAL  56          3HG1      VAL  56 -13.168  -4.178  -4.178
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.548  -5.107  -5.107
 1184   1HG2  VAL  56          1HG2      VAL  56 -13.221  -1.341  -1.341
 1185   2HG2  VAL  56          3HG2      VAL  56 -14.679  -1.339  -1.339
 1186   3HG2  VAL  56          2HG2      VAL  56 -13.270  -2.273  -2.273
 1187    H    MET  57           H        MET  57 -16.150  -4.135  -4.135
 1188    HA   MET  57           HA       MET  57 -15.009  -6.777  -6.777
 1189   1HB   MET  57          2HB       MET  57 -17.720  -5.457  -5.457
 1190   2HB   MET  57          1HB       MET  57 -17.430  -7.130  -7.130
 1191   1HG   MET  57          2HG       MET  57 -16.864  -6.017  -6.017
 1192   2HG   MET  57          1HG       MET  57 -18.314  -6.924  -6.924
 1193   1HE   MET  57          2HE       MET  57 -17.377  -7.734  -7.734
 1194   2HE   MET  57          1HE       MET  57 -16.994  -9.452  -9.452
 1195   3HE   MET  57          3HE       MET  57 -15.711  -8.267  -8.267
 1196    H    GLU  58           H        GLU  58 -16.145  -3.954  -3.954
 1197    HA   GLU  58           HA       GLU  58 -16.292  -4.947  -4.947
 1198   1HB   GLU  58          2HB       GLU  58 -16.178  -2.708  -2.708
 1199   2HB   GLU  58          1HB       GLU  58 -16.429  -2.527  -2.527
 1200   1HG   GLU  58          2HG       GLU  58 -14.604  -1.112  -1.112
 1201   2HG   GLU  58          1HG       GLU  58 -13.812  -2.601  -2.601
 1202    H    THR  59           H        THR  59 -13.397  -4.297  -4.297
 1203    HA   THR  59           HA       THR  59 -11.612  -4.987  -4.987
 1204    HB   THR  59           HB       THR  59 -11.273  -4.115  -4.115
 1205    HG1  THR  59           HG1      THR  59 -10.393  -2.308  -2.308
 1206   1HG2  THR  59          2HG2      THR  59  -9.187  -5.017  -5.017
 1207   2HG2  THR  59          1HG2      THR  59  -8.805  -4.012  -4.012
 1208   3HG2  THR  59          3HG2      THR  59  -9.458  -5.634  -5.634
 1209    H    LEU  60           H        LEU  60 -12.415  -6.252  -6.252
 1210    HA   LEU  60           HA       LEU  60 -10.773  -8.507  -8.507
 1211   1HB   LEU  60          2HB       LEU  60 -12.976  -7.443  -7.443
 1212   2HB   LEU  60          1HB       LEU  60 -13.514  -9.049  -9.049
 1213    HG   LEU  60           HG       LEU  60 -10.978  -8.408  -8.408
 1214   1HD1  LEU  60          1HD1      LEU  60 -13.628  -9.660  -9.660
 1215   2HD1  LEU  60          3HD1      LEU  60 -12.173  -9.909  -9.909
 1216   3HD1  LEU  60          2HD1      LEU  60 -12.826  -8.283  -8.283
 1217   1HD2  LEU  60          3HD2      LEU  60 -11.657 -10.624 -10.624
 1218   2HD2  LEU  60          2HD2      LEU  60 -10.208 -10.403 -10.403
 1219   3HD2  LEU  60          1HD2      LEU  60 -11.629 -11.186 -11.186
 1220    H    ASP  61           H        ASP  61 -13.695  -8.023  -8.023
 1221    HA   ASP  61           HA       ASP  61 -13.994 -10.810 -10.810
 1222   1HB   ASP  61          2HB       ASP  61 -15.441  -8.434  -8.434
 1223   2HB   ASP  61          1HB       ASP  61 -15.024  -8.763  -8.763
 1224    H    SER  62           H        SER  62 -12.291  -7.992  -7.992
 1225    HA   SER  62           HA       SER  62 -11.499  -9.413  -9.413
 1226   1HB   SER  62          2HB       SER  62 -10.210  -7.133  -7.133
 1227   2HB   SER  62          1HB       SER  62 -11.965  -7.138  -7.138
 1228    HG   SER  62           HG       SER  62 -11.544  -5.608  -5.608
 1229    H    ASP  63           H        ASP  63  -9.704  -7.701  -7.701
 1230    HA   ASP  63           HA       ASP  63  -7.473  -8.068  -8.068
 1231   1HB   ASP  63          2HB       ASP  63  -8.682 -10.843 -10.843
 1232   2HB   ASP  63          1HB       ASP  63  -7.227 -10.478 -10.478
 1233    H    GLY  64           H        GLY  64  -6.930  -7.406  -7.406
 1234   1HA   GLY  64          2HA       GLY  64  -5.688  -7.831  -7.831
 1235   2HA   GLY  64          1HA       GLY  64  -4.746  -8.907  -8.907
 1236    H    ASP  65           H        ASP  65  -8.142  -9.477  -9.477
 1237    HA   ASP  65           HA       ASP  65  -9.250 -11.410 -11.410
 1238   1HB   ASP  65          2HB       ASP  65  -8.950  -9.964  -9.964
 1239   2HB   ASP  65          1HB       ASP  65  -7.382 -10.711 -10.711
 1240    H    GLY  66           H        GLY  66  -8.127 -12.847 -12.847
 1241   1HA   GLY  66          2HA       GLY  66  -7.347 -15.268 -15.268
 1242   2HA   GLY  66          1HA       GLY  66  -5.910 -14.438 -14.438
 1243    H    GLU  67           H        GLU  67  -4.457 -13.507 -13.507
 1244    HA   GLU  67           HA       GLU  67  -4.991 -14.200 -14.200
 1245   1HB   GLU  67          2HB       GLU  67  -2.394 -14.494 -14.494
 1246   2HB   GLU  67          1HB       GLU  67  -3.421 -15.780 -15.780
 1247   1HG   GLU  67          2HG       GLU  67  -3.169 -14.847 -14.847
 1248   2HG   GLU  67          1HG       GLU  67  -2.107 -13.591 -13.591
 1249    H    CYS  68           H        CYS  68  -3.995 -12.755 -12.755
 1250    HA   CYS  68           HA       CYS  68  -3.578 -10.005 -10.005
 1251   1HB   CYS  68          2HB       CYS  68  -4.817 -11.186 -11.186
 1252   2HB   CYS  68          1HB       CYS  68  -3.360 -10.448 -10.448
 1253    HG   CYS  68           HG       CYS  68  -4.358  -8.210  -8.210
 1254    H    ASP  69           H        ASP  69  -1.470  -9.853  -9.853
 1255    HA   ASP  69           HA       ASP  69   0.764 -11.078 -11.078
 1256   1HB   ASP  69          2HB       ASP  69   0.457 -11.044 -11.044
 1257   2HB   ASP  69          1HB       ASP  69   0.728  -9.309  -9.309
 1258    H    PHE  70           H        PHE  70   2.751  -9.691  -9.691
 1259    HA   PHE  70           HA       PHE  70   2.987  -8.060  -8.060
 1260   1HB   PHE  70          2HB       PHE  70   4.178  -7.880  -7.880
 1261   2HB   PHE  70          1HB       PHE  70   4.705  -6.782  -6.782
 1262    HD1  PHE  70           HD1      PHE  70   3.480  -9.838  -9.838
 1263    HD2  PHE  70           HD2      PHE  70   6.955  -8.095  -8.095
 1264    HE1  PHE  70           HE1      PHE  70   4.878 -11.608 -11.608
 1265    HE2  PHE  70           HE2      PHE  70   8.364  -9.870  -9.870
 1266    HZ   PHE  70           HZ       PHE  70   7.323 -11.630 -11.630
 1267    H    GLN  71           H        GLN  71   2.846  -6.156  -6.156
 1268    HA   GLN  71           HA       GLN  71   1.971  -3.798  -3.798
 1269   1HB   GLN  71          2HB       GLN  71   2.126  -2.875  -2.875
 1270   2HB   GLN  71          1HB       GLN  71   2.971  -4.386  -4.386
 1271   1HG   GLN  71          2HG       GLN  71  -0.006  -4.042  -4.042
 1272   2HG   GLN  71          1HG       GLN  71   1.197  -3.770  -3.770
 1273   1HE2  GLN  71          2HE2      GLN  71   0.283  -7.277  -7.277
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.351  -5.734  -5.734
 1275    H    GLU  72           H        GLU  72   0.156  -6.587  -6.587
 1276    HA   GLU  72           HA       GLU  72  -2.430  -5.257  -5.257
 1277   1HB   GLU  72          2HB       GLU  72  -1.920  -8.137  -8.137
 1278   2HB   GLU  72          1HB       GLU  72  -3.224  -7.476  -7.476
 1279   1HG   GLU  72          2HG       GLU  72  -0.934  -6.620  -6.620
 1280   2HG   GLU  72          1HG       GLU  72  -0.516  -8.252  -8.252
 1281    H    PHE  73           H        PHE  73  -1.266  -7.520  -7.520
 1282    HA   PHE  73           HA       PHE  73  -3.318  -7.007  -7.007
 1283   1HB   PHE  73          2HB       PHE  73  -1.857  -8.693  -8.693
 1284   2HB   PHE  73          1HB       PHE  73  -0.432  -7.792  -7.792
 1285    HD1  PHE  73           HD2      PHE  73  -3.051  -6.245  -6.245
 1286    HD2  PHE  73           HD1      PHE  73   0.751  -8.220  -8.220
 1287    HE1  PHE  73           HE2      PHE  73  -2.642  -5.495  -5.495
 1288    HE2  PHE  73           HE1      PHE  73   1.169  -7.471  -7.471
 1289    HZ   PHE  73           HZ       PHE  73  -0.536  -6.109  -6.109
 1290    H    MET  74           H        MET  74  -0.252  -5.215  -5.215
 1291    HA   MET  74           HA       MET  74  -0.765  -3.182  -3.182
 1292   1HB   MET  74          2HB       MET  74   0.725  -3.050  -3.050
 1293   2HB   MET  74          1HB       MET  74   0.962  -1.968  -1.968
 1294   1HG   MET  74          2HG       MET  74   1.871  -3.709  -3.709
 1295   2HG   MET  74          1HG       MET  74   1.322  -4.961  -4.961
 1296   1HE   MET  74          1HE       MET  74   4.101  -3.625  -3.625
 1297   2HE   MET  74          3HE       MET  74   5.267  -3.030  -3.030
 1298   3HE   MET  74          2HE       MET  74   3.866  -2.050  -2.050
 1299    H    ALA  75           H        ALA  75  -1.718  -3.620  -3.620
 1300    HA   ALA  75           HA       ALA  75  -2.882  -0.991  -0.991
 1301   1HB   ALA  75          1HB       ALA  75  -2.849  -3.674  -3.674
 1302   2HB   ALA  75          3HB       ALA  75  -4.054  -2.501  -2.501
 1303   3HB   ALA  75          2HB       ALA  75  -2.337  -2.112  -2.112
 1304    H    PHE  76           H        PHE  76  -4.608  -4.103  -4.103
 1305    HA   PHE  76           HA       PHE  76  -7.174  -3.208  -3.208
 1306   1HB   PHE  76          2HB       PHE  76  -6.691  -5.509  -5.509
 1307   2HB   PHE  76          1HB       PHE  76  -5.731  -5.712  -5.712
 1308    HD1  PHE  76           HD1      PHE  76  -9.097  -4.213  -4.213
 1309    HD2  PHE  76           HD2      PHE  76  -6.828  -7.100  -7.100
 1310    HE1  PHE  76           HE1      PHE  76 -11.144  -4.878  -4.878
 1311    HE2  PHE  76           HE2      PHE  76  -8.873  -7.765  -7.765
 1312    HZ   PHE  76           HZ       PHE  76 -11.033  -6.652  -6.652
 1313    H    VAL  77           H        VAL  77  -4.874  -4.343  -4.343
 1314    HA   VAL  77           HA       VAL  77  -6.426  -3.735  -3.735
 1315    HB   VAL  77           HB       VAL  77  -4.026  -4.713  -4.713
 1316   1HG1  VAL  77          3HG1      VAL  77  -3.074  -2.713  -2.713
 1317   2HG1  VAL  77          2HG1      VAL  77  -3.384  -1.774  -1.774
 1318   3HG1  VAL  77          1HG1      VAL  77  -2.219  -3.100  -3.100
 1319   1HG2  VAL  77          3HG2      VAL  77  -5.341  -3.317  -3.317
 1320   2HG2  VAL  77          2HG2      VAL  77  -4.394  -4.804  -4.804
 1321   3HG2  VAL  77          1HG2      VAL  77  -3.587  -3.241  -3.241
 1322    H    ALA  78           H        ALA  78  -4.521  -1.607  -1.607
 1323    HA   ALA  78           HA       ALA  78  -4.940   0.821   0.821
 1324   1HB   ALA  78          1HB       ALA  78  -3.734  -0.081  -0.081
 1325   2HB   ALA  78          3HB       ALA  78  -4.649   1.396   1.396
 1326   3HB   ALA  78          2HB       ALA  78  -3.374   1.370   1.370
 1327    H    MET  79           H        MET  79  -6.479  -0.339  -0.339
 1328    HA   MET  79           HA       MET  79  -8.493   1.601   1.601
 1329   1HB   MET  79          2HB       MET  79  -8.165  -1.297  -1.297
 1330   2HB   MET  79          1HB       MET  79  -9.787  -0.619  -0.619
 1331   1HG   MET  79          2HG       MET  79  -9.119   0.079   0.079
 1332   2HG   MET  79          1HG       MET  79  -8.217   1.321   1.321
 1333   1HE   MET  79          3HE       MET  79  -8.481  -2.072  -2.072
 1334   2HE   MET  79          2HE       MET  79  -7.630  -1.527  -1.527
 1335   3HE   MET  79          1HE       MET  79  -6.861  -2.684  -2.684
 1336    H    ILE  80           H        ILE  80  -8.334  -1.205  -1.205
 1337    HA   ILE  80           HA       ILE  80 -11.024  -0.996  -0.996
 1338    HB   ILE  80           HB       ILE  80  -8.442  -2.201  -2.201
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.285  -2.920  -2.920
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.096  -4.207  -4.207
 1341   1HG2  ILE  80          2HG2      ILE  80 -11.289  -2.334  -2.334
 1342   2HG2  ILE  80          1HG2      ILE  80 -10.294  -3.784  -3.784
 1343   3HG2  ILE  80          3HG2      ILE  80  -9.806  -2.300  -2.300
 1344   1HD1  ILE  80          1HD1      ILE  80 -11.716  -3.050  -3.050
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.444  -3.504  -3.504
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.285  -4.711  -4.711
 1347    H    THR  81           H        THR  81  -7.998  -0.658  -0.658
 1348    HA   THR  81           HA       THR  81  -8.754   0.740   0.740
 1349    HB   THR  81           HB       THR  81  -6.357   0.996   0.996
 1350    HG1  THR  81           HG1      THR  81  -6.674  -0.955  -0.955
 1351   1HG2  THR  81          1HG2      THR  81  -6.805   2.246   2.246
 1352   2HG2  THR  81          3HG2      THR  81  -5.226   2.095   2.095
 1353   3HG2  THR  81          2HG2      THR  81  -6.477   3.092   3.092
 1354    H    THR  82           H        THR  82  -8.041   2.232   2.232
 1355    HA   THR  82           HA       THR  82  -8.501   4.940   4.940
 1356    HB   THR  82           HB       THR  82  -9.027   3.888   3.888
 1357    HG1  THR  82           HG1      THR  82  -6.964   3.406   3.406
 1358   1HG2  THR  82          2HG2      THR  82  -9.089   6.382   6.382
 1359   2HG2  THR  82          1HG2      THR  82  -7.333   6.246   6.246
 1360   3HG2  THR  82          3HG2      THR  82  -8.142   5.957   5.957
 1361    H    ALA  83           H        ALA  83 -10.639   2.419   2.419
 1362    HA   ALA  83           HA       ALA  83 -12.966   4.250   4.250
 1363   1HB   ALA  83          2HB       ALA  83 -12.201   2.225   2.225
 1364   2HB   ALA  83          1HB       ALA  83 -13.220   1.330   1.330
 1365   3HB   ALA  83          3HB       ALA  83 -13.890   2.684   2.684
 1366    H    CYS  84           H        CYS  84 -11.336   2.670   2.670
 1367    HA   CYS  84           HA       CYS  84 -13.662   1.423   1.423
 1368   1HB   CYS  84          2HB       CYS  84 -11.492   0.315   0.315
 1369   2HB   CYS  84          1HB       CYS  84 -10.735   1.750   1.750
 1370    HG   CYS  84           HG       CYS  84 -11.925  -0.368  -0.368
 1371    H    HIS  85           H        HIS  85 -11.390   2.977   2.977
 1372    HA   HIS  85           HA       HIS  85 -13.130   5.337   5.337
 1373   1HB   HIS  85          2HB       HIS  85 -13.453   2.873   2.873
 1374   2HB   HIS  85          1HB       HIS  85 -12.715   3.985   3.985
 1375    HD1  HIS  85           HD1      HIS  85 -15.755   3.633   3.633
 1376    HD2  HIS  85           HD2      HIS  85 -14.403   6.046   6.046
 1377    HE1  HIS  85           HE1      HIS  85 -17.727   5.053   5.053
 1378    H    GLU  86           H        GLU  86 -11.294   6.647   6.647
 1379    HA   GLU  86           HA       GLU  86  -9.547   7.087   7.087
 1380   1HB   GLU  86          2HB       GLU  86  -8.732   5.365   5.365
 1381   2HB   GLU  86          1HB       GLU  86  -7.550   6.580   6.580
 1382   1HG   GLU  86          2HG       GLU  86  -6.994   5.377   5.377
 1383   2HG   GLU  86          1HG       GLU  86  -8.677   5.336   5.336
 1384    H    PHE  87           H        PHE  87  -7.473   8.460   8.460
 1385    HA   PHE  87           HA       PHE  87  -8.562  10.962  10.962
 1386   1HB   PHE  87          2HB       PHE  87  -6.261  11.129  11.129
 1387   2HB   PHE  87          1HB       PHE  87  -6.032   9.496   9.496
 1388    HD1  PHE  87           HD2      PHE  87  -6.588  13.024  13.024
 1389    HD2  PHE  87           HD1      PHE  87  -5.886   9.054   9.054
 1390    HE1  PHE  87           HE2      PHE  87  -6.215  13.937  13.937
 1391    HE2  PHE  87           HE1      PHE  87  -5.564   9.950   9.950
 1392    HZ   PHE  87           HZ       PHE  87  -5.712  12.410  12.410
 1393    H    PHE  88           H        PHE  88  -7.687   8.364   8.364
 1394    HA   PHE  88           HA       PHE  88  -8.218   9.245   9.245
 1395   1HB   PHE  88          2HB       PHE  88  -9.205   6.750   6.750
 1396   2HB   PHE  88          1HB       PHE  88  -9.316   6.976   6.976
 1397    HD1  PHE  88           HD2      PHE  88  -6.893   8.420   8.420
 1398    HD2  PHE  88           HD1      PHE  88  -7.458   5.211   5.211
 1399    HE1  PHE  88           HE2      PHE  88  -4.522   7.782   7.782
 1400    HE2  PHE  88           HE1      PHE  88  -5.079   4.571   4.571
 1401    HZ   PHE  88           HZ       PHE  88  -3.606   5.853   5.853
 1402    H    GLU  89           H        GLU  89  -9.731  10.862  10.862
 1403    HA   GLU  89           HA       GLU  89 -11.860  11.822  11.822
 1404   1HB   GLU  89          2HB       GLU  89 -11.862   9.110   9.110
 1405   2HB   GLU  89          1HB       GLU  89 -13.311   9.305   9.305
 1406   1HG   GLU  89          2HG       GLU  89 -13.903  11.308  11.308
 1407   2HG   GLU  89          1HG       GLU  89 -12.578  10.848  10.848
 1408    H    HIS  90           H        HIS  90 -11.284  12.489  12.489
 1409    HA   HIS  90           HA       HIS  90 -12.201  13.001  13.001
 1410   1HB   HIS  90          2HB       HIS  90 -14.364  12.301  12.301
 1411   2HB   HIS  90          1HB       HIS  90 -14.773  11.889  11.889
 1412    HD1  HIS  90           HD1      HIS  90 -13.409  14.856  14.856
 1413    HD2  HIS  90           HD2      HIS  90 -15.559  14.071  14.071
 1414    HE1  HIS  90           HE1      HIS  90 -14.097  17.105  17.105
 1415    H    GLU  91           H        GLU  91 -14.041  10.023  10.023
 1416    HA   GLU  91           HA       GLU  91 -12.386   8.142   8.142
 1417   1HB   GLU  91          2HB       GLU  91 -13.397  10.156  10.156
 1418   2HB   GLU  91          1HB       GLU  91 -14.275   8.677   8.677
 1419   1HG   GLU  91          2HG       GLU  91 -12.040   7.487   7.487
 1420   2HG   GLU  91          1HG       GLU  91 -11.274   9.072   9.072

  Start of MODEL    2
    1   1H    MET   0          3H        MET   0  -0.157  -9.649  -9.649
    2   2H    MET   0          2H        MET   0  -0.437 -10.603 -10.603
    3   3H    MET   0          1H        MET   0  -0.233 -11.337 -11.337
    4    HA   MET   0           HA       MET   0  -2.352 -10.924 -10.924
    5   1HB   MET   0          2HB       MET   0  -2.262 -12.101 -12.101
    6   2HB   MET   0          1HB       MET   0  -2.591 -10.541 -10.541
    7   1HG   MET   0          2HG       MET   0  -4.646 -10.392 -10.392
    8   2HG   MET   0          1HG       MET   0  -4.367 -12.088 -12.088
    9   1HE   MET   0          3HE       MET   0  -6.317  -9.899  -9.899
   10   2HE   MET   0          2HE       MET   0  -6.816 -10.465 -10.465
   11   3HE   MET   0          1HE       MET   0  -5.324  -9.545  -9.545
   12    H    SER   1           H        SER   1  -2.174  -8.714  -8.714
   13    HA   SER   1           HA       SER   1  -3.822  -6.719  -6.719
   14   1HB   SER   1          2HB       SER   1  -2.229  -6.733  -6.733
   15   2HB   SER   1          1HB       SER   1  -3.379  -5.479  -5.479
   16    HG   SER   1           HG       SER   1  -3.813  -7.945  -7.945
   17    H    GLU   2           H        GLU   2  -0.454  -7.420  -7.420
   18    HA   GLU   2           HA       GLU   2   0.954  -5.065  -5.065
   19   1HB   GLU   2          2HB       GLU   2   1.069  -7.694  -7.694
   20   2HB   GLU   2          1HB       GLU   2   1.909  -6.443  -6.443
   21   1HG   GLU   2          2HG       GLU   2   3.039  -5.777  -5.777
   22   2HG   GLU   2          1HG       GLU   2   2.387  -7.267  -7.267
   23    H    LEU   3           H        LEU   3  -1.364  -6.176  -6.176
   24    HA   LEU   3           HA       LEU   3  -0.679  -4.193  -4.193
   25   1HB   LEU   3          2HB       LEU   3  -2.997  -6.054  -6.054
   26   2HB   LEU   3          1HB       LEU   3  -2.952  -5.002  -5.002
   27    HG   LEU   3           HG       LEU   3  -0.491  -6.096  -6.096
   28   1HD1  LEU   3          3HD1      LEU   3  -1.956  -7.726  -7.726
   29   2HD1  LEU   3          2HD1      LEU   3  -1.547  -8.665  -8.665
   30   3HD1  LEU   3          1HD1      LEU   3  -0.275  -7.863  -7.863
   31   1HD2  LEU   3          1HD2      LEU   3  -3.076  -6.453  -6.453
   32   2HD2  LEU   3          3HD2      LEU   3  -1.479  -6.585  -6.585
   33   3HD2  LEU   3          2HD2      LEU   3  -2.216  -7.994  -7.994
   34    H    GLU   4           H        GLU   4  -3.653  -4.568  -4.568
   35    HA   GLU   4           HA       GLU   4  -4.793  -2.048  -2.048
   36   1HB   GLU   4          2HB       GLU   4  -6.072  -3.636  -3.636
   37   2HB   GLU   4          1HB       GLU   4  -4.775  -3.950  -3.950
   38   1HG   GLU   4          2HG       GLU   4  -5.057  -1.638  -1.638
   39   2HG   GLU   4          1HG       GLU   4  -6.418  -1.408  -1.408
   40    H    LYS   5           H        LYS   5  -2.155  -2.949  -2.949
   41    HA   LYS   5           HA       LYS   5  -2.011  -0.421  -0.421
   42   1HB   LYS   5          2HB       LYS   5   0.193  -2.452  -2.452
   43   2HB   LYS   5          1HB       LYS   5  -0.070  -1.432  -1.432
   44   1HG   LYS   5          2HG       LYS   5  -2.416  -3.083  -3.083
   45   2HG   LYS   5          1HG       LYS   5  -0.969  -4.076  -4.076
   46   1HD   LYS   5          2HD       LYS   5  -2.000  -3.712  -3.712
   47   2HD   LYS   5          1HD       LYS   5  -0.435  -2.901  -2.901
   48   1HE   LYS   5          2HE       LYS   5  -1.512  -0.750  -0.750
   49   2HE   LYS   5          1HE       LYS   5  -3.104  -1.532  -1.532
   50   1HZ   LYS   5          2HZ       LYS   5  -1.298  -1.819  -1.819
   51   2HZ   LYS   5          1HZ       LYS   5  -2.449  -0.574  -0.574
   52   3HZ   LYS   5          3HZ       LYS   5  -2.952  -2.193  -2.193
   53    H    ALA   6           H        ALA   6   0.093  -1.897  -1.897
   54    HA   ALA   6           HA       ALA   6   1.611   0.458   0.458
   55   1HB   ALA   6          2HB       ALA   6   0.834  -2.058  -2.058
   56   2HB   ALA   6          1HB       ALA   6   1.690  -0.793  -0.793
   57   3HB   ALA   6          3HB       ALA   6   2.432  -1.539  -1.539
   58    H    VAL   7           H        VAL   7  -1.586  -0.612  -0.612
   59    HA   VAL   7           HA       VAL   7  -2.090   1.232   1.232
   60    HB   VAL   7           HB       VAL   7  -3.455  -0.713  -0.713
   61   1HG1  VAL   7          1HG1      VAL   7  -4.784   1.732   1.732
   62   2HG1  VAL   7          3HG1      VAL   7  -5.624   0.225   0.225
   63   3HG1  VAL   7          2HG1      VAL   7  -5.236   0.636   0.636
   64   1HG2  VAL   7          1HG2      VAL   7  -3.479  -0.092  -0.092
   65   2HG2  VAL   7          3HG2      VAL   7  -2.641  -1.420  -1.420
   66   3HG2  VAL   7          2HG2      VAL   7  -4.403  -1.402  -1.402
   67    H    VAL   8           H        VAL   8  -3.060   1.191   1.191
   68    HA   VAL   8           HA       VAL   8  -4.354   3.648   3.648
   69    HB   VAL   8           HB       VAL   8  -2.353   2.272   2.272
   70   1HG1  VAL   8          2HG1      VAL   8  -4.285   4.516   4.516
   71   2HG1  VAL   8          1HG1      VAL   8  -3.321   3.633   3.633
   72   3HG1  VAL   8          3HG1      VAL   8  -2.527   4.643   4.643
   73   1HG2  VAL   8          3HG2      VAL   8  -5.057   1.732   1.732
   74   2HG2  VAL   8          2HG2      VAL   8  -4.057   0.864   0.864
   75   3HG2  VAL   8          1HG2      VAL   8  -5.048   2.224   2.224
   76    H    ALA   9           H        ALA   9  -0.892   2.969   2.969
   77    HA   ALA   9           HA       ALA   9   0.037   5.657   5.657
   78   1HB   ALA   9          2HB       ALA   9   1.053   3.063   3.063
   79   2HB   ALA   9          1HB       ALA   9   1.720   4.174   4.174
   80   3HB   ALA   9          3HB       ALA   9   1.966   4.477   4.477
   81    H    LEU  10           H        LEU  10  -0.847   3.853   3.853
   82    HA   LEU  10           HA       LEU  10  -0.077   5.729   5.729
   83   1HB   LEU  10          2HB       LEU  10  -2.579   4.017   4.017
   84   2HB   LEU  10          1HB       LEU  10  -1.708   4.577   4.577
   85    HG   LEU  10           HG       LEU  10  -0.816   2.547   2.547
   86   1HD1  LEU  10          2HD1      LEU  10  -1.595   2.581   2.581
   87   2HD1  LEU  10          1HD1      LEU  10  -0.232   1.544   1.544
   88   3HD1  LEU  10          3HD1      LEU  10  -1.792   1.310   1.310
   89   1HD2  LEU  10          2HD2      LEU  10   0.795   4.396   4.396
   90   2HD2  LEU  10          1HD2      LEU  10   1.250   3.500   3.500
   91   3HD2  LEU  10          3HD2      LEU  10   1.256   2.699   2.699
   92    H    ILE  11           H        ILE  11  -3.063   5.626   5.626
   93    HA   ILE  11           HA       ILE  11  -4.394   7.799   7.799
   94    HB   ILE  11           HB       ILE  11  -5.935   7.652   7.652
   95   1HG1  ILE  11          2HG1      ILE  11  -4.989   6.455   6.455
   96   2HG1  ILE  11          1HG1      ILE  11  -3.490   7.168   7.168
   97   1HG2  ILE  11          3HG2      ILE  11  -4.800   5.252   5.252
   98   2HG2  ILE  11          2HG2      ILE  11  -5.095   5.005   5.005
   99   3HG2  ILE  11          1HG2      ILE  11  -6.418   5.495   5.495
  100   1HD1  ILE  11          3HD1      ILE  11  -5.134   9.281   9.281
  101   2HD1  ILE  11          2HD1      ILE  11  -5.911   8.502   8.502
  102   3HD1  ILE  11          1HD1      ILE  11  -4.221   8.988   8.988
  103    H    ASP  12           H        ASP  12  -1.951   7.650   7.650
  104    HA   ASP  12           HA       ASP  12  -2.133  10.428  10.428
  105   1HB   ASP  12          2HB       ASP  12  -0.785   8.010   8.010
  106   2HB   ASP  12          1HB       ASP  12   0.458   9.229   9.229
  107    H    VAL  13           H        VAL  13  -0.248   8.596   8.596
  108    HA   VAL  13           HA       VAL  13   1.596  10.660  10.660
  109    HB   VAL  13           HB       VAL  13   0.468   8.540   8.540
  110   1HG1  VAL  13          2HG1      VAL  13   3.182   9.821   9.821
  111   2HG1  VAL  13          1HG1      VAL  13   2.891   8.469   8.469
  112   3HG1  VAL  13          3HG1      VAL  13   2.114  10.020  10.020
  113   1HG2  VAL  13          3HG2      VAL  13   1.957   8.251   8.251
  114   2HG2  VAL  13          2HG2      VAL  13   0.898   7.103   7.103
  115   3HG2  VAL  13          1HG2      VAL  13   2.565   7.303   7.303
  116    H    PHE  14           H        PHE  14  -1.205   9.537   9.537
  117    HA   PHE  14           HA       PHE  14  -1.351  11.642  11.642
  118   1HB   PHE  14          2HB       PHE  14  -3.233   9.703   9.703
  119   2HB   PHE  14          1HB       PHE  14  -4.013  11.202  11.202
  120    HD1  PHE  14           HD1      PHE  14  -3.719  12.059  12.059
  121    HD2  PHE  14           HD2      PHE  14  -2.412   8.147   8.147
  122    HE1  PHE  14           HE1      PHE  14  -3.588  11.379  11.379
  123    HE2  PHE  14           HE2      PHE  14  -2.286   7.466   7.466
  124    HZ   PHE  14           HZ       PHE  14  -2.870   9.081   9.081
  125    H    HIS  15           H        HIS  15  -2.854  11.499  11.499
  126    HA   HIS  15           HA       HIS  15  -4.185  13.880  13.880
  127   1HB   HIS  15          2HB       HIS  15  -3.614  12.060  12.060
  128   2HB   HIS  15          1HB       HIS  15  -2.104  12.929  12.929
  129    HD1  HIS  15           HD1      HIS  15  -5.585  12.845  12.845
  130    HD2  HIS  15           HD2      HIS  15  -2.616  15.763  15.763
  131    HE1  HIS  15           HE1      HIS  15  -6.352  14.756  14.756
  132    H    GLN  16           H        GLN  16  -0.643  13.546  13.546
  133    HA   GLN  16           HA       GLN  16  -0.283  16.464  16.464
  134   1HB   GLN  16          2HB       GLN  16   1.677  14.143  14.143
  135   2HB   GLN  16          1HB       GLN  16   2.055  15.822  15.822
  136   1HG   GLN  16          2HG       GLN  16   0.387  15.634  15.634
  137   2HG   GLN  16          1HG       GLN  16   0.267  13.912  13.912
  138   1HE2  GLN  16          2HE2      GLN  16   3.957  15.222  15.222
  139   2HE2  GLN  16          1HE2      GLN  16   3.071  16.186  16.186
  140    H    TYR  17           H        TYR  17   0.957  13.758  13.758
  141    HA   TYR  17           HA       TYR  17   2.186  15.109  15.109
  142   1HB   TYR  17          2HB       TYR  17   0.581  12.597  12.597
  143   2HB   TYR  17          1HB       TYR  17   1.081  13.097  13.097
  144    HD1  TYR  17           HD2      TYR  17   2.266  12.151  12.151
  145    HD2  TYR  17           HD1      TYR  17   3.405  13.046  13.046
  146    HE1  TYR  17           HE2      TYR  17   4.531  11.260  11.260
  147    HE2  TYR  17           HE1      TYR  17   5.681  12.180  12.180
  148    HH   TYR  17           HH       TYR  17   6.453  10.491  10.491
  149    H    SER  18           H        SER  18  -1.281  14.171  14.171
  150    HA   SER  18           HA       SER  18  -1.766  15.981  15.981
  151   1HB   SER  18          2HB       SER  18  -2.659  13.592  13.592
  152   2HB   SER  18          1HB       SER  18  -3.773  14.340  14.340
  153    HG   SER  18           HG       SER  18  -3.498  15.497  15.497
  154    H    GLY  19           H        GLY  19  -1.801  16.266  16.266
  155   1HA   GLY  19          2HA       GLY  19  -3.952  18.333  18.333
  156   2HA   GLY  19          1HA       GLY  19  -3.358  17.558  17.558
  157    H    ARG  20           H        ARG  20  -0.540  17.839  17.839
  158    HA   ARG  20           HA       ARG  20  -0.037  20.431  20.431
  159   1HB   ARG  20          2HB       ARG  20   2.250  19.768  19.768
  160   2HB   ARG  20          1HB       ARG  20   1.364  18.258  18.258
  161   1HG   ARG  20          2HG       ARG  20   1.279  18.265  18.265
  162   2HG   ARG  20          1HG       ARG  20   2.660  19.350  19.350
  163   1HD   ARG  20          2HD       ARG  20   2.486  16.615  16.615
  164   2HD   ARG  20          1HD       ARG  20   3.387  16.972  16.972
  165    HE   ARG  20           HE       ARG  20   4.372  17.513  17.513
  166   1HH1  ARG  20          2HH1      ARG  20   5.327  18.082  18.082
  167   2HH1  ARG  20          1HH1      ARG  20   5.912  19.695  19.695
  168   1HH2  ARG  20          1HH2      ARG  20   4.457  20.067  20.067
  169   2HH2  ARG  20          2HH2      ARG  20   5.420  20.819  20.819
  170    H    GLU  21           H        GLU  21  -1.507  21.541  21.541
  171    HA   GLU  21           HA       GLU  21  -1.718  23.028  23.028
  172   1HB   GLU  21          2HB       GLU  21   1.292  22.777  22.777
  173   2HB   GLU  21          1HB       GLU  21   0.407  24.085  24.085
  174   1HG   GLU  21          2HG       GLU  21  -0.563  24.772  24.772
  175   2HG   GLU  21          1HG       GLU  21   0.140  23.378  23.378
  176    H    GLY  22           H        GLY  22  -2.407  22.367  22.367
  177   1HA   GLY  22          2HA       GLY  22  -1.567  21.721  21.721
  178   2HA   GLY  22          1HA       GLY  22  -0.732  20.392  20.392
  179    H    ASP  23           H        ASP  23  -3.593  21.286  21.286
  180    HA   ASP  23           HA       ASP  23  -5.719  20.238  20.238
  181   1HB   ASP  23          2HB       ASP  23  -3.695  18.706  18.706
  182   2HB   ASP  23          1HB       ASP  23  -4.262  17.667  17.667
  183    H    LYS  24           H        LYS  24  -6.715  17.884  17.884
  184    HA   LYS  24           HA       LYS  24  -6.687  18.484  18.484
  185   1HB   LYS  24          2HB       LYS  24  -8.841  17.656  17.656
  186   2HB   LYS  24          1HB       LYS  24  -9.061  17.477  17.477
  187   1HG   LYS  24          2HG       LYS  24  -9.127  19.754  19.754
  188   2HG   LYS  24          1HG       LYS  24  -8.090  20.114  20.114
  189   1HD   LYS  24          2HD       LYS  24  -9.845  19.980  19.980
  190   2HD   LYS  24          1HD       LYS  24 -10.812  18.943  18.943
  191   1HE   LYS  24          2HE       LYS  24 -10.519  21.264  21.264
  192   2HE   LYS  24          1HE       LYS  24 -10.750  21.865  21.865
  193   1HZ   LYS  24          3HZ       LYS  24 -12.394  19.652  19.652
  194   2HZ   LYS  24          2HZ       LYS  24 -12.830  21.270  21.270
  195   3HZ   LYS  24          1HZ       LYS  24 -12.723  20.682  20.682
  196    H    HIS  25           H        HIS  25  -8.162  15.740  15.740
  197    HA   HIS  25           HA       HIS  25  -6.396  13.933  13.933
  198   1HB   HIS  25          2HB       HIS  25  -9.199  13.720  13.720
  199   2HB   HIS  25          1HB       HIS  25  -8.337  12.321  12.321
  200    HD1  HIS  25           HD1      HIS  25 -10.535  12.621  12.621
  201    HD2  HIS  25           HD2      HIS  25  -7.349  15.280  15.280
  202    HE1  HIS  25           HE1      HIS  25 -10.730  13.640  13.640
  203    H    LYS  26           H        LYS  26  -5.060  14.750  14.750
  204    HA   LYS  26           HA       LYS  26  -4.991  12.373  12.373
  205   1HB   LYS  26          2HB       LYS  26  -5.595  15.213  15.213
  206   2HB   LYS  26          1HB       LYS  26  -4.882  14.065  14.065
  207   1HG   LYS  26          2HG       LYS  26  -7.020  13.455  13.455
  208   2HG   LYS  26          1HG       LYS  26  -6.927  12.587  12.587
  209   1HD   LYS  26          2HD       LYS  26  -7.502  15.141  15.141
  210   2HD   LYS  26          1HD       LYS  26  -8.403  15.042  15.042
  211   1HE   LYS  26          2HE       LYS  26  -9.073  12.643  12.643
  212   2HE   LYS  26          1HE       LYS  26  -8.802  13.529  13.529
  213   1HZ   LYS  26          2HZ       LYS  26 -10.117  15.384  15.384
  214   2HZ   LYS  26          1HZ       LYS  26 -10.652  14.189  14.189
  215   3HZ   LYS  26          3HZ       LYS  26 -10.991  14.046  14.046
  216    H    LEU  27           H        LEU  27  -2.863  11.981  11.981
  217    HA   LEU  27           HA       LEU  27  -0.791  13.848  13.848
  218   1HB   LEU  27          2HB       LEU  27  -1.193  10.975  10.975
  219   2HB   LEU  27          1HB       LEU  27   0.380  11.456  11.456
  220    HG   LEU  27           HG       LEU  27   0.379  10.964  10.964
  221   1HD1  LEU  27          1HD1      LEU  27   1.066  13.717  13.717
  222   2HD1  LEU  27          3HD1      LEU  27   1.486  13.193  13.193
  223   3HD1  LEU  27          2HD1      LEU  27   2.150  12.343  12.343
  224   1HD2  LEU  27          1HD2      LEU  27  -1.941  12.565  12.565
  225   2HD2  LEU  27          3HD2      LEU  27  -1.175  11.872  11.872
  226   3HD2  LEU  27          2HD2      LEU  27  -0.739  13.495  13.495
  227    H    LYS  28           H        LYS  28   1.315  13.730  13.730
  228    HA   LYS  28           HA       LYS  28   0.721  13.572  13.572
  229   1HB   LYS  28          2HB       LYS  28   1.893  16.041  16.041
  230   2HB   LYS  28          1HB       LYS  28   1.342  15.869  15.869
  231   1HG   LYS  28          2HG       LYS  28  -0.968  15.335  15.335
  232   2HG   LYS  28          1HG       LYS  28  -0.328  15.957  15.957
  233   1HD   LYS  28          2HD       LYS  28   0.444  17.924  17.924
  234   2HD   LYS  28          1HD       LYS  28  -1.077  17.411  17.411
  235   1HE   LYS  28          2HE       LYS  28  -1.950  17.523  17.523
  236   2HE   LYS  28          1HE       LYS  28  -0.596  18.659  18.659
  237   1HZ   LYS  28          2HZ       LYS  28  -2.313  18.859  18.859
  238   2HZ   LYS  28          1HZ       LYS  28  -2.894  19.484  19.484
  239   3HZ   LYS  28          3HZ       LYS  28  -1.448  20.077  20.077
  240    H    LYS  29           H        LYS  29   2.756  13.757  13.757
  241    HA   LYS  29           HA       LYS  29   4.832  12.088  12.088
  242   1HB   LYS  29          2HB       LYS  29   4.950  14.644  14.644
  243   2HB   LYS  29          1HB       LYS  29   6.139  13.344  13.344
  244   1HG   LYS  29          2HG       LYS  29   4.728  11.928  11.928
  245   2HG   LYS  29          1HG       LYS  29   3.279  12.586  12.586
  246   1HD   LYS  29          2HD       LYS  29   4.497  14.669  14.669
  247   2HD   LYS  29          1HD       LYS  29   4.368  13.236  13.236
  248   1HE   LYS  29          2HE       LYS  29   2.202  13.864  13.864
  249   2HE   LYS  29          1HE       LYS  29   1.921  13.300  13.300
  250   1HZ   LYS  29          1HZ       LYS  29   2.914  16.011  16.011
  251   2HZ   LYS  29          3HZ       LYS  29   1.293  15.658  15.658
  252   3HZ   LYS  29          2HZ       LYS  29   2.483  15.451  15.451
  253    H    SER  30           H        SER  30   4.999  15.667  15.667
  254    HA   SER  30           HA       SER  30   7.415  15.948  15.948
  255   1HB   SER  30          2HB       SER  30   5.222  17.508  17.508
  256   2HB   SER  30          1HB       SER  30   5.243  17.604  17.604
  257    HG   SER  30           HG       SER  30   7.473  18.181  18.181
  258    H    GLU  31           H        GLU  31   4.197  15.471  15.471
  259    HA   GLU  31           HA       GLU  31   5.201  15.249  15.249
  260   1HB   GLU  31          2HB       GLU  31   2.711  13.968  13.968
  261   2HB   GLU  31          1HB       GLU  31   2.948  14.592  14.592
  262   1HG   GLU  31          2HG       GLU  31   3.432  16.859  16.859
  263   2HG   GLU  31          1HG       GLU  31   2.480  16.095  16.095
  264    H    LEU  32           H        LEU  32   4.653  12.937  12.937
  265    HA   LEU  32           HA       LEU  32   5.002  10.528  10.528
  266   1HB   LEU  32          2HB       LEU  32   4.148  11.030  11.030
  267   2HB   LEU  32          1HB       LEU  32   5.850  10.909  10.909
  268    HG   LEU  32           HG       LEU  32   5.984   8.653   8.653
  269   1HD1  LEU  32          3HD1      LEU  32   3.380   9.419   9.419
  270   2HD1  LEU  32          2HD1      LEU  32   3.543   7.743   7.743
  271   3HD1  LEU  32          1HD1      LEU  32   4.675   8.413   8.413
  272   1HD2  LEU  32          1HD2      LEU  32   4.363   9.419   9.419
  273   2HD2  LEU  32          3HD2      LEU  32   5.068   7.826   7.826
  274   3HD2  LEU  32          2HD2      LEU  32   3.439   8.181   8.181
  275    H    LYS  33           H        LYS  33   7.319  12.444  12.444
  276    HA   LYS  33           HA       LYS  33   9.657  10.951  10.951
  277   1HB   LYS  33          2HB       LYS  33   8.961  13.367  13.367
  278   2HB   LYS  33          1HB       LYS  33   9.895  13.888  13.888
  279   1HG   LYS  33          2HG       LYS  33  10.877  11.821  11.821
  280   2HG   LYS  33          1HG       LYS  33  11.268  13.538  13.538
  281   1HD   LYS  33          2HD       LYS  33  12.222  13.427  13.427
  282   2HD   LYS  33          1HD       LYS  33  11.926  11.688  11.688
  283   1HE   LYS  33          2HE       LYS  33  13.364  12.604  12.604
  284   2HE   LYS  33          1HE       LYS  33  14.259  12.860  12.860
  285   1HZ   LYS  33          1HZ       LYS  33  12.902  10.325  10.325
  286   2HZ   LYS  33          3HZ       LYS  33  14.568  10.601  10.601
  287   3HZ   LYS  33          2HZ       LYS  33  13.844  10.592  10.592
  288    H    GLU  34           H        GLU  34   8.465  13.617  13.617
  289    HA   GLU  34           HA       GLU  34  10.366  13.319  13.319
  290   1HB   GLU  34          2HB       GLU  34   8.242  14.947  14.947
  291   2HB   GLU  34          1HB       GLU  34   7.555  13.983  13.983
  292   1HG   GLU  34          2HG       GLU  34   8.748  15.139  15.139
  293   2HG   GLU  34          1HG       GLU  34  10.250  14.764  14.764
  294    H    LEU  35           H        LEU  35   7.169  11.931  11.931
  295    HA   LEU  35           HA       LEU  35   6.694  10.433  10.433
  296   1HB   LEU  35          2HB       LEU  35   5.782  10.686  10.686
  297   2HB   LEU  35          1HB       LEU  35   6.237   8.991   8.991
  298    HG   LEU  35           HG       LEU  35   4.817   9.916   9.916
  299   1HD1  LEU  35          2HD1      LEU  35   3.903  10.971  10.971
  300   2HD1  LEU  35          1HD1      LEU  35   2.887   9.581   9.581
  301   3HD1  LEU  35          3HD1      LEU  35   2.983  10.855  10.855
  302   1HD2  LEU  35          1HD2      LEU  35   5.390   7.541   7.541
  303   2HD2  LEU  35          3HD2      LEU  35   3.774   7.809   7.809
  304   3HD2  LEU  35          2HD2      LEU  35   4.005   7.777   7.777
  305    H    ILE  36           H        ILE  36   8.433   9.204   9.204
  306    HA   ILE  36           HA       ILE  36   9.224   6.759   6.759
  307    HB   ILE  36           HB       ILE  36  10.752   8.173   8.173
  308   1HG1  ILE  36          2HG1      ILE  36   8.562   8.564   8.564
  309   2HG1  ILE  36          1HG1      ILE  36   8.988   7.026   7.026
  310   1HG2  ILE  36          2HG2      ILE  36   9.970   5.302   5.302
  311   2HG2  ILE  36          1HG2      ILE  36  10.827   5.846   5.846
  312   3HG2  ILE  36          3HG2      ILE  36  11.585   6.003   6.003
  313   1HD1  ILE  36          3HD1      ILE  36   7.946   5.997   5.997
  314   2HD1  ILE  36          2HD1      ILE  36   7.141   7.558   7.558
  315   3HD1  ILE  36          1HD1      ILE  36   6.886   6.546   6.546
  316    H    ASN  37           H        ASN  37  10.973   9.838   9.838
  317    HA   ASN  37           HA       ASN  37  13.416   9.006   9.006
  318   1HB   ASN  37          2HB       ASN  37  13.583  10.782  10.782
  319   2HB   ASN  37          1HB       ASN  37  12.109  11.541  11.541
  320   1HD2  ASN  37          2HD2      ASN  37  13.965  13.696  13.696
  321   2HD2  ASN  37          1HD2      ASN  37  12.625  13.463  13.463
  322    H    ASN  38           H        ASN  38  10.360  10.076  10.076
  323    HA   ASN  38           HA       ASN  38  11.422  10.991  10.991
  324   1HB   ASN  38          2HB       ASN  38   8.772  10.638  10.638
  325   2HB   ASN  38          1HB       ASN  38   8.797  10.789  10.789
  326   1HD2  ASN  38          2HD2      ASN  38   8.569  14.272  14.272
  327   2HD2  ASN  38          1HD2      ASN  38   7.576  12.915  12.915
  328    H    GLU  39           H        GLU  39  10.706   8.003   8.003
  329    HA   GLU  39           HA       GLU  39  10.447   6.628   6.628
  330   1HB   GLU  39          2HB       GLU  39   9.243   4.908   4.908
  331   2HB   GLU  39          1HB       GLU  39   8.488   6.491   6.491
  332   1HG   GLU  39          2HG       GLU  39   9.645   6.827   6.827
  333   2HG   GLU  39          1HG       GLU  39  10.438   5.262   5.262
  334    H    LEU  40           H        LEU  40  11.882   6.470   6.470
  335    HA   LEU  40           HA       LEU  40  13.970   4.618   4.618
  336   1HB   LEU  40          2HB       LEU  40  12.799   4.696   4.696
  337   2HB   LEU  40          1HB       LEU  40  13.905   3.482   3.482
  338    HG   LEU  40           HG       LEU  40  11.503   3.853   3.853
  339   1HD1  LEU  40          3HD1      LEU  40  10.621   4.237   4.237
  340   2HD1  LEU  40          2HD1      LEU  40  11.181   2.614   2.614
  341   3HD1  LEU  40          1HD1      LEU  40   9.932   2.837   2.837
  342   1HD2  LEU  40          2HD2      LEU  40  12.942   1.523   1.523
  343   2HD2  LEU  40          1HD2      LEU  40  13.008   2.011   2.011
  344   3HD2  LEU  40          3HD2      LEU  40  11.523   1.331   1.331
  345    H    SER  41           H        SER  41  14.962   6.948   6.948
  346    HA   SER  41           HA       SER  41  15.781   8.660   8.660
  347   1HB   SER  41          2HB       SER  41  16.201   8.539   8.539
  348   2HB   SER  41          1HB       SER  41  17.717   7.787   7.787
  349    HG   SER  41           HG       SER  41  17.672   9.744   9.744
  350    H    HIS  42           H        HIS  42  17.014   5.453   5.453
  351    HA   HIS  42           HA       HIS  42  19.433   5.371   5.371
  352   1HB   HIS  42          2HB       HIS  42  17.211   3.413   3.413
  353   2HB   HIS  42          1HB       HIS  42  18.610   2.915   2.915
  354    HD1  HIS  42           HD1      HIS  42  19.994   1.571   1.571
  355    HD2  HIS  42           HD2      HIS  42  18.676   5.152   5.152
  356    HE1  HIS  42           HE1      HIS  42  21.119   1.760   1.760
  357    H    PHE  43           H        PHE  43  16.101   5.217   5.217
  358    HA   PHE  43           HA       PHE  43  16.843   4.583   4.583
  359   1HB   PHE  43          2HB       PHE  43  14.427   5.347   5.347
  360   2HB   PHE  43          1HB       PHE  43  14.371   5.665   5.665
  361    HD1  PHE  43           HD1      PHE  43  16.280   3.197   3.197
  362    HD2  PHE  43           HD2      PHE  43  12.705   3.673   3.673
  363    HE1  PHE  43           HE1      PHE  43  15.679   0.835   0.835
  364    HE2  PHE  43           HE2      PHE  43  12.132   1.297   1.297
  365    HZ   PHE  43           HZ       PHE  43  13.619  -0.120  -0.120
  366    H    LEU  44           H        LEU  44  16.807   7.470   7.470
  367    HA   LEU  44           HA       LEU  44  16.250   9.549   9.549
  368   1HB   LEU  44          2HB       LEU  44  17.192   9.458   9.458
  369   2HB   LEU  44          1HB       LEU  44  18.774   9.494   9.494
  370    HG   LEU  44           HG       LEU  44  18.079  11.558  11.558
  371   1HD1  LEU  44          1HD1      LEU  44  15.534  10.721  10.721
  372   2HD1  LEU  44          3HD1      LEU  44  15.872  12.228  12.228
  373   3HD1  LEU  44          2HD1      LEU  44  15.914  12.183  12.183
  374   1HD2  LEU  44          3HD2      LEU  44  19.135  11.407  11.407
  375   2HD2  LEU  44          2HD2      LEU  44  18.588  12.962  12.962
  376   3HD2  LEU  44          1HD2      LEU  44  17.574  12.060  12.060
  377    H    GLU  45           H        GLU  45  18.883   7.299   7.299
  378    HA   GLU  45           HA       GLU  45  20.374   8.627   8.627
  379   1HB   GLU  45          2HB       GLU  45  20.793   6.785   6.785
  380   2HB   GLU  45          1HB       GLU  45  21.330   6.028   6.028
  381   1HG   GLU  45          2HG       GLU  45  23.255   7.191   7.191
  382   2HG   GLU  45          1HG       GLU  45  22.396   8.467   8.467
  383    H    GLU  46           H        GLU  46  18.287   5.822   5.822
  384    HA   GLU  46           HA       GLU  46  17.153   4.405   4.405
  385   1HB   GLU  46          2HB       GLU  46  16.941   6.791   6.791
  386   2HB   GLU  46          1HB       GLU  46  18.182   6.262   6.262
  387   1HG   GLU  46          2HG       GLU  46  16.692   5.034   5.034
  388   2HG   GLU  46          1HG       GLU  46  16.094   4.256   4.256
  389    H    ILE  47           H        ILE  47  20.171   5.616   5.616
  390    HA   ILE  47           HA       ILE  47  20.973   3.516   3.516
  391    HB   ILE  47           HB       ILE  47  22.157   5.695   5.695
  392   1HG1  ILE  47          2HG1      ILE  47  23.109   3.877   3.877
  393   2HG1  ILE  47          1HG1      ILE  47  24.301   4.876   4.876
  394   1HG2  ILE  47          2HG2      ILE  47  23.038   3.796   3.796
  395   2HG2  ILE  47          1HG2      ILE  47  23.881   5.298   5.298
  396   3HG2  ILE  47          3HG2      ILE  47  22.214   5.342   5.342
  397   1HD1  ILE  47          1HD1      ILE  47  23.702   2.726   2.726
  398   2HD1  ILE  47          3HD1      ILE  47  23.932   2.025   2.025
  399   3HD1  ILE  47          2HD1      ILE  47  25.202   3.010   3.010
  400    H    LYS  48           H        LYS  48  20.820   3.607   3.607
  401    HA   LYS  48           HA       LYS  48  22.280   1.475   1.475
  402   1HB   LYS  48          2HB       LYS  48  19.343   2.105   2.105
  403   2HB   LYS  48          1HB       LYS  48  20.417   1.210   1.210
  404   1HG   LYS  48          2HG       LYS  48  20.537   4.127   4.127
  405   2HG   LYS  48          1HG       LYS  48  20.449   3.423   3.423
  406   1HD   LYS  48          2HD       LYS  48  22.725   2.364   2.364
  407   2HD   LYS  48          1HD       LYS  48  22.804   3.435   3.435
  408   1HE   LYS  48          2HE       LYS  48  23.824   4.805   4.805
  409   2HE   LYS  48          1HE       LYS  48  22.134   5.257   5.257
  410   1HZ   LYS  48          2HZ       LYS  48  22.104   3.242   3.242
  411   2HZ   LYS  48          1HZ       LYS  48  23.801   3.311   3.311
  412   3HZ   LYS  48          3HZ       LYS  48  22.922   4.625   4.625
  413    H    GLU  49           H        GLU  49  19.539   1.397   1.397
  414    HA   GLU  49           HA       GLU  49  19.955  -1.492  -1.492
  415   1HB   GLU  49          2HB       GLU  49  17.273  -1.496  -1.496
  416   2HB   GLU  49          1HB       GLU  49  18.309  -1.819  -1.819
  417   1HG   GLU  49          2HG       GLU  49  17.782   1.051   1.051
  418   2HG   GLU  49          1HG       GLU  49  16.359   0.105   0.105
  419    H    GLN  50           H        GLN  50  20.560  -0.868  -0.868
  420    HA   GLN  50           HA       GLN  50  19.243   0.981   0.981
  421   1HB   GLN  50          2HB       GLN  50  20.912  -1.484  -1.484
  422   2HB   GLN  50          1HB       GLN  50  20.159  -0.787  -0.787
  423   1HG   GLN  50          2HG       GLN  50  21.855   0.781   0.781
  424   2HG   GLN  50          1HG       GLN  50  22.456   0.118   0.118
  425   1HE2  GLN  50          2HE2      GLN  50  20.737   2.514   2.514
  426   2HE2  GLN  50          1HE2      GLN  50  21.434   0.966   0.966
  427    H    GLU  51           H        GLU  51  18.623  -2.536  -2.536
  428    HA   GLU  51           HA       GLU  51  16.535  -2.758  -2.758
  429   1HB   GLU  51          2HB       GLU  51  17.644  -4.652  -4.652
  430   2HB   GLU  51          1HB       GLU  51  16.998  -4.169  -4.169
  431   1HG   GLU  51          2HG       GLU  51  14.680  -4.299  -4.299
  432   2HG   GLU  51          1HG       GLU  51  15.554  -5.330  -5.330
  433    H    VAL  52           H        VAL  52  16.439  -1.747  -1.747
  434    HA   VAL  52           HA       VAL  52  13.531  -1.541  -1.541
  435    HB   VAL  52           HB       VAL  52  15.700  -0.357  -0.357
  436   1HG1  VAL  52          3HG1      VAL  52  12.721  -0.617  -0.617
  437   2HG1  VAL  52          2HG1      VAL  52  13.672  -0.779  -0.779
  438   3HG1  VAL  52          1HG1      VAL  52  13.766   0.703   0.703
  439   1HG2  VAL  52          3HG2      VAL  52  15.891  -2.816  -2.816
  440   2HG2  VAL  52          2HG2      VAL  52  15.377  -2.372  -2.372
  441   3HG2  VAL  52          1HG2      VAL  52  14.200  -2.986  -2.986
  442    H    VAL  53           H        VAL  53  16.271   0.692   0.692
  443    HA   VAL  53           HA       VAL  53  14.973   3.178   3.178
  444    HB   VAL  53           HB       VAL  53  17.107   2.047   2.047
  445   1HG1  VAL  53          3HG1      VAL  53  15.771   4.571   4.571
  446   2HG1  VAL  53          2HG1      VAL  53  17.420   4.839   4.839
  447   3HG1  VAL  53          1HG1      VAL  53  17.137   4.052   4.052
  448   1HG2  VAL  53          1HG2      VAL  53  17.093   2.631   2.631
  449   2HG2  VAL  53          3HG2      VAL  53  18.450   2.103   2.103
  450   3HG2  VAL  53          2HG2      VAL  53  18.116   3.824   3.824
  451    H    ASP  54           H        ASP  54  15.018   0.547   0.547
  452    HA   ASP  54           HA       ASP  54  13.577   1.900   1.900
  453   1HB   ASP  54          2HB       ASP  54  14.857   0.072   0.072
  454   2HB   ASP  54          1HB       ASP  54  14.474  -0.863  -0.863
  455    H    LYS  55           H        LYS  55  12.747  -0.334  -0.334
  456    HA   LYS  55           HA       LYS  55   9.907  -0.390  -0.390
  457   1HB   LYS  55          2HB       LYS  55  11.790  -1.371  -1.371
  458   2HB   LYS  55          1HB       LYS  55  10.079  -1.291  -1.291
  459   1HG   LYS  55          2HG       LYS  55   9.779  -3.222  -3.222
  460   2HG   LYS  55          1HG       LYS  55  10.150  -2.353  -2.353
  461   1HD   LYS  55          2HD       LYS  55  12.515  -2.855  -2.855
  462   2HD   LYS  55          1HD       LYS  55  12.229  -3.616  -3.616
  463   1HE   LYS  55          2HE       LYS  55  10.849  -5.350  -5.350
  464   2HE   LYS  55          1HE       LYS  55  11.060  -4.569  -4.569
  465   1HZ   LYS  55          3HZ       LYS  55  13.266  -5.547  -5.547
  466   2HZ   LYS  55          2HZ       LYS  55  12.697  -6.337  -6.337
  467   3HZ   LYS  55          1HZ       LYS  55  13.446  -4.818  -4.818
  468    H    VAL  56           H        VAL  56  11.606   0.881   0.881
  469    HA   VAL  56           HA       VAL  56   9.631   2.353   2.353
  470    HB   VAL  56           HB       VAL  56  12.555   2.899   2.899
  471   1HG1  VAL  56          3HG1      VAL  56  10.538   4.753   4.753
  472   2HG1  VAL  56          2HG1      VAL  56  11.893   4.486   4.486
  473   3HG1  VAL  56          1HG1      VAL  56  12.186   5.075   5.075
  474   1HG2  VAL  56          3HG2      VAL  56  11.782   1.023   1.023
  475   2HG2  VAL  56          2HG2      VAL  56  12.795   2.221   2.221
  476   3HG2  VAL  56          1HG2      VAL  56  11.046   2.241   2.241
  477    H    MET  57           H        MET  57  11.683   3.599   3.599
  478    HA   MET  57           HA       MET  57  10.178   6.059   6.059
  479   1HB   MET  57          2HB       MET  57  12.044   4.544   4.544
  480   2HB   MET  57          1HB       MET  57  11.542   6.219   6.219
  481   1HG   MET  57          2HG       MET  57  12.488   6.722   6.722
  482   2HG   MET  57          1HG       MET  57  13.155   5.090   5.090
  483   1HE   MET  57          2HE       MET  57  13.878   8.341   8.341
  484   2HE   MET  57          1HE       MET  57  15.092   8.718   8.718
  485   3HE   MET  57          3HE       MET  57  13.377   8.701   8.701
  486    H    GLU  58           H        GLU  58  10.010   2.854   2.854
  487    HA   GLU  58           HA       GLU  58   8.335   3.371   3.371
  488   1HB   GLU  58          2HB       GLU  58   8.962   1.191   1.191
  489   2HB   GLU  58          1HB       GLU  58   9.127   1.144   1.144
  490   1HG   GLU  58          2HG       GLU  58   7.360  -0.406  -0.406
  491   2HG   GLU  58          1HG       GLU  58   6.706   0.842   0.842
  492    H    THR  59           H        THR  59   7.310   2.458   2.458
  493    HA   THR  59           HA       THR  59   4.501   2.956   2.956
  494    HB   THR  59           HB       THR  59   6.163   2.432   2.432
  495    HG1  THR  59           HG1      THR  59   4.519   0.983   0.983
  496   1HG2  THR  59          2HG2      THR  59   3.212   2.995   2.995
  497   2HG2  THR  59          1HG2      THR  59   3.852   2.030   2.030
  498   3HG2  THR  59          3HG2      THR  59   4.363   3.706   3.706
  499    H    LEU  60           H        LEU  60   7.059   4.719   4.719
  500    HA   LEU  60           HA       LEU  60   5.643   6.829   6.829
  501   1HB   LEU  60          2HB       LEU  60   8.054   6.530   6.530
  502   2HB   LEU  60          1HB       LEU  60   8.256   6.825   6.825
  503    HG   LEU  60           HG       LEU  60   7.718   9.118   9.118
  504   1HD1  LEU  60          3HD1      LEU  60   5.708   8.736   8.736
  505   2HD1  LEU  60          2HD1      LEU  60   6.789   8.576   8.576
  506   3HD1  LEU  60          1HD1      LEU  60   6.687  10.109  10.109
  507   1HD2  LEU  60          2HD2      LEU  60   9.679   7.945   7.945
  508   2HD2  LEU  60          1HD2      LEU  60   9.709   9.537   9.537
  509   3HD2  LEU  60          3HD2      LEU  60   8.975   9.332   9.332
  510    H    ASP  61           H        ASP  61   6.323   6.247   6.247
  511    HA   ASP  61           HA       ASP  61   5.210   8.868   8.868
  512   1HB   ASP  61          2HB       ASP  61   6.978   6.844   6.844
  513   2HB   ASP  61          1HB       ASP  61   5.678   7.094   7.094
  514    H    SER  62           H        SER  62   4.280   5.469   5.469
  515    HA   SER  62           HA       SER  62   1.824   5.915   5.915
  516   1HB   SER  62          2HB       SER  62   1.886   3.632   3.632
  517   2HB   SER  62          1HB       SER  62   3.543   3.826   3.826
  518    HG   SER  62           HG       SER  62   1.749   2.414   2.414
  519    H    ASP  63           H        ASP  63   2.783   5.295   5.295
  520    HA   ASP  63           HA       ASP  63   0.499   4.745   4.745
  521   1HB   ASP  63          2HB       ASP  63   2.916   5.534   5.534
  522   2HB   ASP  63          1HB       ASP  63   2.162   7.127   7.127
  523    H    GLY  64           H        GLY  64  -1.457   5.526   5.526
  524   1HA   GLY  64          2HA       GLY  64  -3.057   7.141   7.141
  525   2HA   GLY  64          1HA       GLY  64  -2.631   7.878   7.878
  526    H    ASP  65           H        ASP  65  -0.370   7.418   7.418
  527    HA   ASP  65           HA       ASP  65   1.132   9.546   9.546
  528   1HB   ASP  65          2HB       ASP  65   0.819   7.815   7.815
  529   2HB   ASP  65          1HB       ASP  65  -0.612   8.678   8.678
  530    H    GLY  66           H        GLY  66   0.930  11.731  11.731
  531   1HA   GLY  66          2HA       GLY  66   0.058  13.895  13.895
  532   2HA   GLY  66          1HA       GLY  66  -1.372  13.120  13.120
  533    H    GLU  67           H        GLU  67  -1.837  11.394  11.394
  534    HA   GLU  67           HA       GLU  67  -2.356  13.283  13.283
  535   1HB   GLU  67          2HB       GLU  67  -4.279  13.588  13.588
  536   2HB   GLU  67          1HB       GLU  67  -4.396  11.862  11.862
  537   1HG   GLU  67          2HG       GLU  67  -5.196  11.360  11.360
  538   2HG   GLU  67          1HG       GLU  67  -4.611  12.883  12.883
  539    H    CYS  68           H        CYS  68  -1.148  11.980  11.980
  540    HA   CYS  68           HA       CYS  68  -1.684   9.068   9.068
  541   1HB   CYS  68          2HB       CYS  68   0.200  11.005  11.005
  542   2HB   CYS  68          1HB       CYS  68   0.125   9.294   9.294
  543    HG   CYS  68           HG       CYS  68   0.489   9.544   9.544
  544    H    ASP  69           H        ASP  69  -3.816   8.970   8.970
  545    HA   ASP  69           HA       ASP  69  -4.475  10.484  10.484
  546   1HB   ASP  69          2HB       ASP  69  -5.898   8.665   8.665
  547   2HB   ASP  69          1HB       ASP  69  -6.657   9.153   9.153
  548    H    PHE  70           H        PHE  70  -5.836   9.168   9.168
  549    HA   PHE  70           HA       PHE  70  -4.664   7.872   7.872
  550   1HB   PHE  70          2HB       PHE  70  -7.200   7.359   7.359
  551   2HB   PHE  70          1HB       PHE  70  -6.750   6.201   6.201
  552    HD1  PHE  70           HD1      PHE  70  -5.467   9.572   9.572
  553    HD2  PHE  70           HD2      PHE  70  -8.754   6.999   6.999
  554    HE1  PHE  70           HE1      PHE  70  -6.181  11.173  11.173
  555    HE2  PHE  70           HE2      PHE  70  -9.467   8.601   8.601
  556    HZ   PHE  70           HZ       PHE  70  -8.171  10.696  10.696
  557    H    GLN  71           H        GLN  71  -6.090   5.469   5.469
  558    HA   GLN  71           HA       GLN  71  -4.237   3.426   3.426
  559   1HB   GLN  71          2HB       GLN  71  -5.360   2.298   2.298
  560   2HB   GLN  71          1HB       GLN  71  -6.444   2.938   2.938
  561   1HG   GLN  71          2HG       GLN  71  -7.315   4.496   4.496
  562   2HG   GLN  71          1HG       GLN  71  -5.740   4.898   4.898
  563   1HE2  GLN  71          2HE2      GLN  71  -6.732   3.276   3.276
  564   2HE2  GLN  71          1HE2      GLN  71  -6.160   4.699   4.699
  565    H    GLU  72           H        GLU  72  -3.900   6.017   6.017
  566    HA   GLU  72           HA       GLU  72  -2.004   4.671   4.671
  567   1HB   GLU  72          2HB       GLU  72  -2.312   7.650   7.650
  568   2HB   GLU  72          1HB       GLU  72  -2.066   6.719   6.719
  569   1HG   GLU  72          2HG       GLU  72  -4.442   5.696   5.696
  570   2HG   GLU  72          1HG       GLU  72  -4.570   7.370   7.370
  571    H    PHE  73           H        PHE  73  -1.887   6.968   6.968
  572    HA   PHE  73           HA       PHE  73   0.957   7.361   7.361
  573   1HB   PHE  73          2HB       PHE  73  -0.103   8.945   8.945
  574   2HB   PHE  73          1HB       PHE  73  -1.417   7.854   7.854
  575    HD1  PHE  73           HD1      PHE  73  -0.657   5.835   5.835
  576    HD2  PHE  73           HD2      PHE  73   1.271   9.645   9.645
  577    HE1  PHE  73           HE1      PHE  73   0.281   5.514   5.514
  578    HE2  PHE  73           HE2      PHE  73   2.222   9.324   9.324
  579    HZ   PHE  73           HZ       PHE  73   1.725   7.260   7.260
  580    H    MET  74           H        MET  74  -1.199   4.945   4.945
  581    HA   MET  74           HA       MET  74   0.962   3.604   3.604
  582   1HB   MET  74          2HB       MET  74  -1.989   3.358   3.358
  583   2HB   MET  74          1HB       MET  74  -1.128   1.898   1.898
  584   1HG   MET  74          2HG       MET  74  -1.193   4.537   4.537
  585   2HG   MET  74          1HG       MET  74  -1.898   3.012   3.012
  586   1HE   MET  74          2HE       MET  74  -0.225   0.909   0.909
  587   2HE   MET  74          1HE       MET  74   1.115   1.588   1.588
  588   3HE   MET  74          3HE       MET  74   1.412   0.818   0.818
  589    H    ALA  75           H        ALA  75  -0.608   3.478   3.478
  590    HA   ALA  75           HA       ALA  75  -0.058   0.804   0.804
  591   1HB   ALA  75          2HB       ALA  75  -0.465   3.495   3.495
  592   2HB   ALA  75          1HB       ALA  75  -0.089   2.096   2.096
  593   3HB   ALA  75          3HB       ALA  75  -1.546   2.098   2.098
  594    H    PHE  76           H        PHE  76   1.723   3.816   3.816
  595    HA   PHE  76           HA       PHE  76   4.004   2.442   2.442
  596   1HB   PHE  76          2HB       PHE  76   3.448   4.635   4.635
  597   2HB   PHE  76          1HB       PHE  76   3.343   5.260   5.260
  598    HD1  PHE  76           HD2      PHE  76   5.895   3.244   3.244
  599    HD2  PHE  76           HD1      PHE  76   5.063   6.729   6.729
  600    HE1  PHE  76           HE2      PHE  76   8.293   3.867   3.867
  601    HE2  PHE  76           HE1      PHE  76   7.459   7.360   7.360
  602    HZ   PHE  76           HZ       PHE  76   9.077   5.927   5.927
  603    H    VAL  77           H        VAL  77   3.428   4.229   4.229
  604    HA   VAL  77           HA       VAL  77   5.968   3.881   3.881
  605    HB   VAL  77           HB       VAL  77   3.661   4.928   4.928
  606   1HG1  VAL  77          3HG1      VAL  77   2.641   2.617   2.617
  607   2HG1  VAL  77          2HG1      VAL  77   3.732   2.377   2.377
  608   3HG1  VAL  77          1HG1      VAL  77   2.515   3.655   3.655
  609   1HG2  VAL  77          2HG2      VAL  77   6.169   4.580   4.580
  610   2HG2  VAL  77          1HG2      VAL  77   4.893   5.597   5.597
  611   3HG2  VAL  77          3HG2      VAL  77   5.101   3.942   3.942
  612    H    ALA  78           H        ALA  78   3.410   1.576   1.576
  613    HA   ALA  78           HA       ALA  78   4.632  -0.593  -0.593
  614   1HB   ALA  78          2HB       ALA  78   2.287  -0.136  -0.136
  615   2HB   ALA  78          1HB       ALA  78   2.844  -1.798  -1.798
  616   3HB   ALA  78          3HB       ALA  78   2.339  -0.873  -0.873
  617    H    MET  79           H        MET  79   4.379   0.368   0.368
  618    HA   MET  79           HA       MET  79   5.729  -1.841  -1.841
  619   1HB   MET  79          2HB       MET  79   4.520  -0.045  -0.045
  620   2HB   MET  79          1HB       MET  79   5.755   1.113   1.113
  621   1HG   MET  79          2HG       MET  79   6.460   0.499   0.499
  622   2HG   MET  79          1HG       MET  79   7.420  -0.557  -0.557
  623   1HE   MET  79          2HE       MET  79   6.933  -2.983  -2.983
  624   2HE   MET  79          1HE       MET  79   6.629  -3.965  -3.965
  625   3HE   MET  79          3HE       MET  79   7.885  -2.720  -2.720
  626    H    ILE  80           H        ILE  80   6.916   1.094   1.094
  627    HA   ILE  80           HA       ILE  80   9.750   0.573   0.573
  628    HB   ILE  80           HB       ILE  80   8.522   2.172   2.172
  629   1HG1  ILE  80          2HG1      ILE  80   9.014   3.139   3.139
  630   2HG1  ILE  80          1HG1      ILE  80   7.429   2.703   2.703
  631   1HG2  ILE  80          3HG2      ILE  80  11.166   1.920   1.920
  632   2HG2  ILE  80          2HG2      ILE  80  10.628   3.587   3.587
  633   3HG2  ILE  80          1HG2      ILE  80  10.735   2.518   2.518
  634   1HD1  ILE  80          1HD1      ILE  80   8.449   4.373   4.373
  635   2HD1  ILE  80          3HD1      ILE  80   8.981   5.129   5.129
  636   3HD1  ILE  80          2HD1      ILE  80   7.264   4.826   4.826
  637    H    THR  81           H        THR  81   7.775   0.554   0.554
  638    HA   THR  81           HA       THR  81   9.408  -0.663  -0.663
  639    HB   THR  81           HB       THR  81   6.480  -1.087  -1.087
  640    HG1  THR  81           HG1      THR  81   7.640   0.983   0.983
  641   1HG2  THR  81          2HG2      THR  81   8.190  -2.280  -2.280
  642   2HG2  THR  81          1HG2      THR  81   6.656  -1.606  -1.606
  643   3HG2  THR  81          3HG2      THR  81   6.674  -2.862  -2.862
  644    H    THR  82           H        THR  82   7.835  -2.173  -2.173
  645    HA   THR  82           HA       THR  82   8.553  -4.895  -4.895
  646    HB   THR  82           HB       THR  82   7.817  -5.182  -5.182
  647    HG1  THR  82           HG1      THR  82   6.910  -3.455  -3.455
  648   1HG2  THR  82          1HG2      THR  82   6.179  -4.502  -4.502
  649   2HG2  THR  82          3HG2      THR  82   5.370  -4.766  -4.766
  650   3HG2  THR  82          2HG2      THR  82   6.348  -6.054  -6.054
  651    H    ALA  83           H        ALA  83   9.817  -2.379  -2.379
  652    HA   ALA  83           HA       ALA  83  11.987  -4.133  -4.133
  653   1HB   ALA  83          3HB       ALA  83  10.616  -2.373  -2.373
  654   2HB   ALA  83          2HB       ALA  83  11.588  -1.172  -1.172
  655   3HB   ALA  83          1HB       ALA  83  12.366  -2.344  -2.344
  656    H    CYS  84           H        CYS  84  11.501  -2.694  -2.694
  657    HA   CYS  84           HA       CYS  84  14.014  -1.200  -1.200
  658   1HB   CYS  84          2HB       CYS  84  12.034  -0.474  -0.474
  659   2HB   CYS  84          1HB       CYS  84  11.791  -2.081  -2.081
  660    HG   CYS  84           HG       CYS  84  14.031  -0.093  -0.093
  661    H    HIS  85           H        HIS  85  13.085  -3.366  -3.366
  662    HA   HIS  85           HA       HIS  85  15.211  -5.323  -5.323
  663   1HB   HIS  85          2HB       HIS  85  15.708  -3.007  -3.007
  664   2HB   HIS  85          1HB       HIS  85  15.516  -4.263  -4.263
  665    HD1  HIS  85           HD1      HIS  85  18.024  -2.828  -2.828
  666    HD2  HIS  85           HD2      HIS  85  17.177  -6.705  -6.705
  667    HE1  HIS  85           HE1      HIS  85  20.143  -4.171  -4.171
  668    H    GLU  86           H        GLU  86  15.313  -6.108  -6.108
  669    HA   GLU  86           HA       GLU  86  14.168  -7.630  -7.630
  670   1HB   GLU  86          2HB       GLU  86  11.892  -5.859  -5.859
  671   2HB   GLU  86          1HB       GLU  86  11.848  -6.887  -6.887
  672   1HG   GLU  86          2HG       GLU  86  13.463  -5.592  -5.592
  673   2HG   GLU  86          1HG       GLU  86  14.010  -4.818  -4.818
  674    H    PHE  87           H        PHE  87  11.506  -8.674  -8.674
  675    HA   PHE  87           HA       PHE  87  11.803 -10.900 -10.900
  676   1HB   PHE  87          2HB       PHE  87   9.864 -10.872 -10.872
  677   2HB   PHE  87          1HB       PHE  87   9.438  -9.235  -9.235
  678    HD1  PHE  87           HD1      PHE  87   9.729 -12.728 -12.728
  679    HD2  PHE  87           HD2      PHE  87   7.919  -8.860  -8.860
  680    HE1  PHE  87           HE1      PHE  87   8.318 -13.622 -13.622
  681    HE2  PHE  87           HE2      PHE  87   6.524  -9.743  -9.743
  682    HZ   PHE  87           HZ       PHE  87   6.722 -12.144 -12.144
  683    H    PHE  88           H        PHE  88   9.973  -8.011  -8.011
  684    HA   PHE  88           HA       PHE  88   9.459  -8.491  -8.491
  685   1HB   PHE  88          2HB       PHE  88  10.487  -6.015  -6.015
  686   2HB   PHE  88          1HB       PHE  88   9.933  -6.002  -6.002
  687    HD1  PHE  88           HD1      PHE  88   7.762  -8.186  -8.186
  688    HD2  PHE  88           HD2      PHE  88   8.724  -4.612  -4.612
  689    HE1  PHE  88           HE1      PHE  88   5.424  -8.036  -8.036
  690    HE2  PHE  88           HE2      PHE  88   6.375  -4.460  -4.460
  691    HZ   PHE  88           HZ       PHE  88   4.719  -6.168  -6.168
  692    H    GLU  89           H        GLU  89  10.832  -9.556  -9.556
  693    HA   GLU  89           HA       GLU  89  13.352  -8.198  -8.198
  694   1HB   GLU  89          2HB       GLU  89  13.272 -10.280 -10.280
  695   2HB   GLU  89          1HB       GLU  89  13.801 -11.046 -11.046
  696   1HG   GLU  89          2HG       GLU  89  15.714  -9.716  -9.716
  697   2HG   GLU  89          1HG       GLU  89  15.031  -8.438  -8.438
  698    H    HIS  90           H        HIS  90  14.275 -10.632 -10.632
  699    HA   HIS  90           HA       HIS  90  12.216 -10.701 -10.701
  700   1HB   HIS  90          2HB       HIS  90  15.189 -11.244 -11.244
  701   2HB   HIS  90          1HB       HIS  90  14.076 -10.869 -10.869
  702    HD1  HIS  90           HD1      HIS  90  16.037  -9.283  -9.283
  703    HD2  HIS  90           HD2      HIS  90  13.340  -8.105  -8.105
  704    HE1  HIS  90           HE1      HIS  90  16.133  -6.754  -6.754
  705    H    GLU  91           H        GLU  91  11.082 -12.592 -12.592
  706    HA   GLU  91           HA       GLU  91  10.744 -14.906 -14.906
  707   1HB   GLU  91          2HB       GLU  91  12.292 -14.357 -14.357
  708   2HB   GLU  91          1HB       GLU  91  12.934 -15.832 -15.832
  709   1HG   GLU  91          2HG       GLU  91  10.615 -16.746 -16.746
  710   2HG   GLU  91          1HG       GLU  91  10.039 -15.302 -15.302
  711   1H    MET   0          3H        MET   0   6.274  10.068  10.068
  712   2H    MET   0          2H        MET   0   7.278  11.068  11.068
  713   3H    MET   0          1H        MET   0   6.242  11.749  11.749
  714    HA   MET   0           HA       MET   0   7.618  11.281  11.281
  715   1HB   MET   0          2HB       MET   0   8.797  12.552  12.552
  716   2HB   MET   0          1HB       MET   0   9.517  11.022  11.022
  717   1HG   MET   0          2HG       MET   0  10.361  10.777  10.777
  718   2HG   MET   0          1HG       MET   0   9.890  12.461  12.461
  719   1HE   MET   0          3HE       MET   0  12.437  10.317  10.317
  720   2HE   MET   0          2HE       MET   0  13.729  10.939  10.939
  721   3HE   MET   0          1HE       MET   0  12.405  10.029  10.029
  722    H    SER   1           H        SER   1   9.099   9.185   9.185
  723    HA   SER   1           HA       SER   1   9.713   7.119   7.119
  724   1HB   SER   1          2HB       SER   1   9.860   7.247   7.247
  725   2HB   SER   1          1HB       SER   1  10.569   5.966   5.966
  726    HG   SER   1           HG       SER   1  11.481   8.464   8.464
  727    H    GLU   2           H        GLU   2   6.995   7.865   7.865
  728    HA   GLU   2           HA       GLU   2   5.815   5.523   5.523
  729   1HB   GLU   2          2HB       GLU   2   4.962   8.106   8.106
  730   2HB   GLU   2          1HB       GLU   2   3.764   6.832   6.832
  731   1HG   GLU   2          2HG       GLU   2   4.070   6.257   6.257
  732   2HG   GLU   2          1HG       GLU   2   4.977   7.763   7.763
  733    H    LEU   3           H        LEU   3   6.361   6.515   6.515
  734    HA   LEU   3           HA       LEU   3   4.682   4.467   4.467
  735   1HB   LEU   3          2HB       LEU   3   6.880   6.322   6.322
  736   2HB   LEU   3          1HB       LEU   3   6.063   5.217   5.217
  737    HG   LEU   3           HG       LEU   3   3.915   6.325   6.325
  738   1HD1  LEU   3          3HD1      LEU   3   6.171   8.014   8.014
  739   2HD1  LEU   3          2HD1      LEU   3   5.012   8.899   8.899
  740   3HD1  LEU   3          1HD1      LEU   3   4.490   8.148   8.148
  741   1HD2  LEU   3          1HD2      LEU   3   5.353   6.606   6.606
  742   2HD2  LEU   3          3HD2      LEU   3   3.617   6.733   6.733
  743   3HD2  LEU   3          2HD2      LEU   3   4.644   8.158   8.158
  744    H    GLU   4           H        GLU   4   8.249   4.881   4.881
  745    HA   GLU   4           HA       GLU   4   8.938   2.331   2.331
  746   1HB   GLU   4          2HB       GLU   4  10.643   3.951   3.951
  747   2HB   GLU   4          1HB       GLU   4  10.217   4.324   4.324
  748   1HG   GLU   4          2HG       GLU   4  10.989   2.050   2.050
  749   2HG   GLU   4          1HG       GLU   4  11.496   1.757   1.757
  750    H    LYS   5           H        LYS   5   7.959   3.349   3.349
  751    HA   LYS   5           HA       LYS   5   8.662   0.876   0.876
  752   1HB   LYS   5          2HB       LYS   5   6.571   2.919   2.919
  753   2HB   LYS   5          1HB       LYS   5   7.596   1.949   1.949
  754   1HG   LYS   5          2HG       LYS   5   9.221   3.553   3.553
  755   2HG   LYS   5          1HG       LYS   5   8.113   4.567   4.567
  756   1HD   LYS   5          2HD       LYS   5  10.206   4.273   4.273
  757   2HD   LYS   5          1HD       LYS   5   8.883   3.479   3.479
  758   1HE   LYS   5          2HE       LYS   5   9.554   1.302   1.302
  759   2HE   LYS   5          1HE       LYS   5  10.823   2.061   2.061
  760   1HZ   LYS   5          2HZ       LYS   5  10.639   2.475   2.475
  761   2HZ   LYS   5          1HZ       LYS   5  11.524   1.186   1.186
  762   3HZ   LYS   5          3HZ       LYS   5  11.957   2.786   2.786
  763    H    ALA   6           H        ALA   6   5.487   2.281   2.281
  764    HA   ALA   6           HA       ALA   6   3.963  -0.080  -0.080
  765   1HB   ALA   6          2HB       ALA   6   3.732   2.366   2.366
  766   2HB   ALA   6          1HB       ALA   6   2.553   1.069   1.069
  767   3HB   ALA   6          3HB       ALA   6   2.724   1.878   1.878
  768    H    VAL   7           H        VAL   7   6.078   0.916   0.916
  769    HA   VAL   7           HA       VAL   7   5.307  -1.017  -1.017
  770    HB   VAL   7           HB       VAL   7   7.415   0.984   0.984
  771   1HG1  VAL   7          1HG1      VAL   7   7.989  -1.514  -1.514
  772   2HG1  VAL   7          3HG1      VAL   7   8.477  -0.028  -0.028
  773   3HG1  VAL   7          2HG1      VAL   7   9.087  -0.390  -0.390
  774   1HG2  VAL   7          1HG2      VAL   7   5.775   0.237   0.237
  775   2HG2  VAL   7          3HG2      VAL   7   5.515   1.607   1.607
  776   3HG2  VAL   7          2HG2      VAL   7   6.933   1.567   1.567
  777    H    VAL   8           H        VAL   8   8.055  -0.850  -0.850
  778    HA   VAL   8           HA       VAL   8   9.281  -3.312  -3.312
  779    HB   VAL   8           HB       VAL   8   8.626  -1.842  -1.842
  780   1HG1  VAL   8          2HG1      VAL   8  10.613  -4.081  -4.081
  781   2HG1  VAL   8          1HG1      VAL   8  10.479  -3.138  -3.138
  782   3HG1  VAL   8          3HG1      VAL   8   9.151  -4.184  -4.184
  783   1HG2  VAL   8          3HG2      VAL   8  10.426  -1.356  -1.356
  784   2HG2  VAL   8          2HG2      VAL   8  10.257  -0.441  -0.441
  785   3HG2  VAL   8          1HG2      VAL   8  11.385  -1.792  -1.792
  786    H    ALA   9           H        ALA   9   6.280  -2.605  -2.605
  787    HA   ALA   9           HA       ALA   9   5.808  -5.263  -5.263
  788   1HB   ALA   9          2HB       ALA   9   4.598  -2.681  -2.681
  789   2HB   ALA   9          1HB       ALA   9   3.386  -3.831  -3.831
  790   3HB   ALA   9          3HB       ALA   9   4.158  -4.062  -4.062
  791    H    LEU  10           H        LEU  10   4.857  -3.580  -3.580
  792    HA   LEU  10           HA       LEU  10   3.128  -5.516  -5.516
  793   1HB   LEU  10          2HB       LEU  10   5.207  -3.833  -3.833
  794   2HB   LEU  10          1HB       LEU  10   3.695  -4.437  -4.437
  795    HG   LEU  10           HG       LEU  10   4.078  -2.322  -2.322
  796   1HD1  LEU  10          2HD1      LEU  10   3.119  -2.472  -2.472
  797   2HD1  LEU  10          1HD1      LEU  10   2.212  -1.407  -1.407
  798   3HD1  LEU  10          3HD1      LEU  10   3.942  -1.158  -1.158
  799   1HD2  LEU  10          2HD2      LEU  10   1.840  -4.217  -4.217
  800   2HD2  LEU  10          1HD2      LEU  10   2.268  -3.259  -3.259
  801   3HD2  LEU  10          3HD2      LEU  10   1.369  -2.520  -2.520
  802    H    ILE  11           H        ILE  11   6.706  -5.379  -5.379
  803    HA   ILE  11           HA       ILE  11   7.067  -7.615  -7.615
  804    HB   ILE  11           HB       ILE  11   9.342  -7.422  -7.422
  805   1HG1  ILE  11          2HG1      ILE  11   9.795  -6.131  -6.131
  806   2HG1  ILE  11          1HG1      ILE  11   8.241  -6.856  -6.856
  807   1HG2  ILE  11          3HG2      ILE  11   7.831  -5.050  -5.050
  808   2HG2  ILE  11          2HG2      ILE  11   9.033  -4.737  -4.737
  809   3HG2  ILE  11          1HG2      ILE  11   9.543  -5.280  -5.280
  810   1HD1  ILE  11          3HD1      ILE  11   9.454  -8.990  -8.990
  811   2HD1  ILE  11          2HD1      ILE  11  10.857  -8.163  -8.163
  812   3HD1  ILE  11          1HD1      ILE  11   9.528  -8.638  -8.638
  813    H    ASP  12           H        ASP  12   6.473  -7.343  -7.343
  814    HA   ASP  12           HA       ASP  12   7.124 -10.087 -10.087
  815   1HB   ASP  12          2HB       ASP  12   6.374  -7.626  -7.626
  816   2HB   ASP  12          1HB       ASP  12   5.188  -8.836  -8.836
  817    H    VAL  13           H        VAL  13   4.207  -8.332  -8.332
  818    HA   VAL  13           HA       VAL  13   2.300 -10.402 -10.402
  819    HB   VAL  13           HB       VAL  13   2.169  -8.365  -8.365
  820   1HG1  VAL  13          2HG1      VAL  13   0.169  -9.595  -9.595
  821   2HG1  VAL  13          1HG1      VAL  13  -0.218  -8.282  -8.282
  822   3HG1  VAL  13          3HG1      VAL  13   0.263  -9.855  -9.855
  823   1HG2  VAL  13          3HG2      VAL  13   2.379  -7.962  -7.962
  824   2HG2  VAL  13          2HG2      VAL  13   2.780  -6.859  -6.859
  825   3HG2  VAL  13          1HG2      VAL  13   1.103  -7.056  -7.056
  826    H    PHE  14           H        PHE  14   3.494  -9.389  -9.389
  827    HA   PHE  14           HA       PHE  14   2.631 -11.567 -11.567
  828   1HB   PHE  14          2HB       PHE  14   4.833  -9.597  -9.597
  829   2HB   PHE  14          1HB       PHE  14   5.209 -11.121 -11.121
  830    HD1  PHE  14           HD1      PHE  14   3.657 -12.063 -12.063
  831    HD2  PHE  14           HD2      PHE  14   3.214  -8.092  -8.092
  832    HE1  PHE  14           HE1      PHE  14   2.206 -11.470 -11.470
  833    HE2  PHE  14           HE2      PHE  14   1.765  -7.500  -7.500
  834    HZ   PHE  14           HZ       PHE  14   1.255  -9.188  -9.188
  835    H    HIS  15           H        HIS  15   5.688 -11.306 -11.306
  836    HA   HIS  15           HA       HIS  15   6.976 -13.686 -13.686
  837   1HB   HIS  15          2HB       HIS  15   7.447 -11.793 -11.793
  838   2HB   HIS  15          1HB       HIS  15   6.363 -12.632 -12.632
  839    HD1  HIS  15           HD1      HIS  15   9.827 -12.553 -12.553
  840    HD2  HIS  15           HD2      HIS  15   7.282 -15.437 -15.437
  841    HE1  HIS  15           HE1      HIS  15  11.310 -14.419 -14.419
  842    H    GLN  16           H        GLN  16   4.320 -13.294 -13.294
  843    HA   GLN  16           HA       GLN  16   4.044 -16.205 -16.205
  844   1HB   GLN  16          2HB       GLN  16   2.350 -13.861 -13.861
  845   2HB   GLN  16          1HB       GLN  16   2.288 -15.518 -15.518
  846   1HG   GLN  16          2HG       GLN  16   4.731 -15.285 -15.285
  847   2HG   GLN  16          1HG       GLN  16   4.609 -13.579 -13.579
  848   1HE2  GLN  16          2HE2      GLN  16   2.295 -14.799 -14.799
  849   2HE2  GLN  16          1HE2      GLN  16   2.434 -15.814 -15.814
  850    H    TYR  17           H        TYR  17   1.877 -13.569 -13.569
  851    HA   TYR  17           HA       TYR  17  -0.290 -14.972 -14.972
  852   1HB   TYR  17          2HB       TYR  17   1.188 -12.485 -12.485
  853   2HB   TYR  17          1HB       TYR  17  -0.137 -13.028 -13.028
  854    HD1  TYR  17           HD2      TYR  17   0.778 -11.988 -11.988
  855    HD2  TYR  17           HD1      TYR  17  -2.427 -12.930 -12.930
  856    HE1  TYR  17           HE2      TYR  17  -0.860 -11.042 -11.042
  857    HE2  TYR  17           HE1      TYR  17  -4.068 -12.009 -12.009
  858    HH   TYR  17           HH       TYR  17  -3.050 -10.247 -10.247
  859    H    SER  18           H        SER  18   2.546 -14.080 -14.080
  860    HA   SER  18           HA       SER  18   1.686 -15.988 -15.988
  861   1HB   SER  18          2HB       SER  18   2.621 -13.593 -13.593
  862   2HB   SER  18          1HB       SER  18   4.193 -14.307 -14.307
  863    HG   SER  18           HG       SER  18   2.565 -15.558 -15.558
  864    H    GLY  19           H        GLY  19   3.626 -16.143 -16.143
  865   1HA   GLY  19          2HA       GLY  19   5.381 -18.239 -18.239
  866   2HA   GLY  19          1HA       GLY  19   5.714 -17.396 -17.396
  867    H    ARG  20           H        ARG  20   3.006 -17.672 -17.672
  868    HA   ARG  20           HA       ARG  20   3.259 -20.215 -20.215
  869   1HB   ARG  20          2HB       ARG  20   1.243 -19.540 -19.540
  870   2HB   ARG  20          1HB       ARG  20   2.086 -18.033 -18.033
  871   1HG   ARG  20          2HG       ARG  20   0.676 -18.133 -18.133
  872   2HG   ARG  20          1HG       ARG  20  -0.370 -19.194 -19.194
  873   1HD   ARG  20          2HD       ARG  20   0.483 -16.416 -16.416
  874   2HD   ARG  20          1HD       ARG  20  -1.091 -16.817 -16.817
  875    HE   ARG  20           HE       ARG  20  -0.447 -17.241 -17.241
  876   1HH1  ARG  20          2HH1      ARG  20  -2.928 -17.923 -17.923
  877   2HH1  ARG  20          1HH1      ARG  20  -3.261 -19.518 -19.518
  878   1HH2  ARG  20          1HH2      ARG  20  -0.289 -19.777 -19.777
  879   2HH2  ARG  20          2HH2      ARG  20  -1.766 -20.570 -20.570
  880    H    GLU  21           H        GLU  21   3.531 -21.404 -21.404
  881    HA   GLU  21           HA       GLU  21   2.709 -22.964 -22.964
  882   1HB   GLU  21          2HB       GLU  21   0.311 -22.673 -22.673
  883   2HB   GLU  21          1HB       GLU  21   0.612 -24.018 -24.018
  884   1HG   GLU  21          2HG       GLU  21   2.618 -24.638 -24.638
  885   2HG   GLU  21          1HG       GLU  21   2.480 -23.208 -23.208
  886    H    GLY  22           H        GLY  22   2.161 -22.387 -22.387
  887   1HA   GLY  22          2HA       GLY  22   0.164 -21.818 -21.818
  888   2HA   GLY  22          1HA       GLY  22  -0.092 -20.451 -20.451
  889    H    ASP  23           H        ASP  23   1.394 -21.433 -21.433
  890    HA   ASP  23           HA       ASP  23   3.029 -20.418 -20.418
  891   1HB   ASP  23          2HB       ASP  23   0.866 -18.897 -18.897
  892   2HB   ASP  23          1HB       ASP  23   2.061 -17.816 -17.816
  893    H    LYS  24           H        LYS  24   4.449 -18.040 -18.040
  894    HA   LYS  24           HA       LYS  24   6.097 -18.530 -18.530
  895   1HB   LYS  24          2HB       LYS  24   6.751 -17.797 -17.797
  896   2HB   LYS  24          1HB       LYS  24   7.917 -17.553 -17.553
  897   1HG   LYS  24          2HG       LYS  24   8.207 -19.816 -19.816
  898   2HG   LYS  24          1HG       LYS  24   6.578 -20.218 -20.218
  899   1HD   LYS  24          2HD       LYS  24   7.169 -20.161 -20.161
  900   2HD   LYS  24          1HD       LYS  24   8.547 -19.097 -19.097
  901   1HE   LYS  24          2HE       LYS  24   9.180 -21.354 -21.354
  902   2HE   LYS  24          1HE       LYS  24   8.451 -22.023 -22.023
  903   1HZ   LYS  24          3HZ       LYS  24  10.382 -19.791 -19.791
  904   2HZ   LYS  24          2HZ       LYS  24  10.920 -21.403 -21.403
  905   3HZ   LYS  24          1HZ       LYS  24   9.931 -20.871 -20.871
  906    H    HIS  25           H        HIS  25   6.310 -15.865 -15.865
  907    HA   HIS  25           HA       HIS  25   5.741 -13.977 -13.977
  908   1HB   HIS  25          2HB       HIS  25   7.422 -13.844 -13.844
  909   2HB   HIS  25          1HB       HIS  25   7.060 -12.409 -12.409
  910    HD1  HIS  25           HD1      HIS  25   9.858 -12.673 -12.673
  911    HD2  HIS  25           HD2      HIS  25   7.473 -15.268 -15.268
  912    HE1  HIS  25           HE1      HIS  25  11.334 -13.606 -13.606
  913    H    LYS  26           H        LYS  26   3.447 -14.857 -14.857
  914    HA   LYS  26           HA       LYS  26   2.372 -12.548 -12.548
  915   1HB   LYS  26          2HB       LYS  26   2.433 -15.425 -15.425
  916   2HB   LYS  26          1HB       LYS  26   1.191 -14.313 -14.313
  917   1HG   LYS  26          2HG       LYS  26   2.706 -13.748 -13.748
  918   2HG   LYS  26          1HG       LYS  26   3.482 -12.819 -12.819
  919   1HD   LYS  26          2HD       LYS  26   4.452 -15.344 -15.344
  920   2HD   LYS  26          1HD       LYS  26   4.348 -15.322 -15.322
  921   1HE   LYS  26          2HE       LYS  26   5.453 -12.892 -12.892
  922   2HE   LYS  26          1HE       LYS  26   6.089 -13.715 -13.715
  923   1HZ   LYS  26          2HZ       LYS  26   6.569 -15.630 -15.630
  924   2HZ   LYS  26          1HZ       LYS  26   6.370 -14.499 -14.499
  925   3HZ   LYS  26          3HZ       LYS  26   7.590 -14.276 -14.276
  926    H    LEU  27           H        LEU  27   0.229 -12.151 -12.151
  927    HA   LEU  27           HA       LEU  27  -0.863 -13.957 -13.957
  928   1HB   LEU  27          2HB       LEU  27  -0.687 -11.098 -11.098
  929   2HB   LEU  27          1HB       LEU  27  -2.341 -11.585 -11.585
  930    HG   LEU  27           HG       LEU  27  -0.967 -11.003 -11.003
  931   1HD1  LEU  27          1HD1      LEU  27  -2.058 -13.792 -13.792
  932   2HD1  LEU  27          3HD1      LEU  27  -1.506 -13.191 -13.191
  933   3HD1  LEU  27          2HD1      LEU  27  -2.851 -12.399 -12.399
  934   1HD2  LEU  27          1HD2      LEU  27   0.926 -12.634 -12.634
  935   2HD2  LEU  27          3HD2      LEU  27   1.094 -11.869 -11.869
  936   3HD2  LEU  27          2HD2      LEU  27   0.455 -13.508 -13.508
  937    H    LYS  28           H        LYS  28  -3.412 -13.874 -13.874
  938    HA   LYS  28           HA       LYS  28  -4.561 -13.836 -13.836
  939   1HB   LYS  28          2HB       LYS  28  -4.761 -16.235 -16.235
  940   2HB   LYS  28          1HB       LYS  28  -5.249 -16.137 -16.137
  941   1HG   LYS  28          2HG       LYS  28  -2.787 -15.584 -15.584
  942   2HG   LYS  28          1HG       LYS  28  -2.451 -16.146 -16.146
  943   1HD   LYS  28          2HD       LYS  28  -4.042 -18.164 -18.164
  944   2HD   LYS  28          1HD       LYS  28  -3.193 -17.691 -17.691
  945   1HE   LYS  28          2HE       LYS  28  -1.066 -17.732 -17.732
  946   2HE   LYS  28          1HE       LYS  28  -2.078 -18.841 -18.841
  947   1HZ   LYS  28          2HZ       LYS  28  -1.983 -19.149 -19.149
  948   2HZ   LYS  28          1HZ       LYS  28  -0.677 -19.733 -19.733
  949   3HZ   LYS  28          3HZ       LYS  28  -2.241 -20.324 -20.324
  950    H    LYS  29           H        LYS  29  -6.974 -14.052 -14.052
  951    HA   LYS  29           HA       LYS  29  -8.290 -12.327 -12.327
  952   1HB   LYS  29          2HB       LYS  29  -9.280 -14.942 -14.942
  953   2HB   LYS  29          1HB       LYS  29 -10.319 -13.633 -13.633
  954   1HG   LYS  29          2HG       LYS  29  -9.817 -12.278 -12.278
  955   2HG   LYS  29          1HG       LYS  29  -8.183 -12.920 -12.920
  956   1HD   LYS  29          2HD       LYS  29 -10.025 -15.049 -15.049
  957   2HD   LYS  29          1HD       LYS  29 -10.515 -13.659 -13.659
  958   1HE   LYS  29          2HE       LYS  29  -8.894 -14.320 -14.320
  959   2HE   LYS  29          1HE       LYS  29  -7.737 -13.694 -13.694
  960   1HZ   LYS  29          1HZ       LYS  29  -8.912 -16.422 -16.422
  961   2HZ   LYS  29          3HZ       LYS  29  -7.377 -16.069 -16.069
  962   3HZ   LYS  29          2HZ       LYS  29  -7.700 -15.807 -15.807
  963    H    SER  30           H        SER  30  -8.241 -15.891 -15.891
  964    HA   SER  30           HA       SER  30  -9.470 -16.095 -16.095
  965   1HB   SER  30          2HB       SER  30  -8.019 -17.701 -17.701
  966   2HB   SER  30          1HB       SER  30  -7.045 -17.731 -17.731
  967    HG   SER  30           HG       SER  30  -8.981 -18.286 -18.286
  968    H    GLU  31           H        GLU  31  -5.964 -15.594 -15.594
  969    HA   GLU  31           HA       GLU  31  -5.283 -15.256 -15.256
  970   1HB   GLU  31          2HB       GLU  31  -3.888 -14.045 -14.045
  971   2HB   GLU  31          1HB       GLU  31  -3.159 -14.609 -14.609
  972   1HG   GLU  31          2HG       GLU  31  -4.248 -16.915 -16.915
  973   2HG   GLU  31          1HG       GLU  31  -4.190 -16.210 -16.210
  974    H    LEU  32           H        LEU  32  -6.323 -13.050 -13.050
  975    HA   LEU  32           HA       LEU  32  -5.796 -10.583 -10.583
  976   1HB   LEU  32          2HB       LEU  32  -6.449 -11.191 -11.191
  977   2HB   LEU  32          1HB       LEU  32  -8.107 -11.067 -11.067
  978    HG   LEU  32           HG       LEU  32  -7.751  -8.777  -8.777
  979   1HD1  LEU  32          3HD1      LEU  32  -4.905  -9.528  -9.528
  980   2HD1  LEU  32          2HD1      LEU  32  -5.353  -7.873  -7.873
  981   3HD1  LEU  32          1HD1      LEU  32  -5.619  -8.475  -8.475
  982   1HD2  LEU  32          1HD2      LEU  32  -7.628  -9.647  -9.647
  983   2HD2  LEU  32          3HD2      LEU  32  -8.072  -8.036  -8.036
  984   3HD2  LEU  32          2HD2      LEU  32  -6.399  -8.389  -8.389
  985    H    LYS  33           H        LYS  33  -8.800 -12.543 -12.543
  986    HA   LYS  33           HA       LYS  33 -10.528 -11.012 -11.012
  987   1HB   LYS  33          2HB       LYS  33 -10.533 -13.477 -13.477
  988   2HB   LYS  33          1HB       LYS  33 -10.508 -13.931 -13.931
  989   1HG   LYS  33          2HG       LYS  33 -12.460 -11.925 -11.925
  990   2HG   LYS  33          1HG       LYS  33 -12.828 -13.640 -13.640
  991   1HD   LYS  33          2HD       LYS  33 -12.314 -13.439 -13.439
  992   2HD   LYS  33          1HD       LYS  33 -12.085 -11.705 -11.705
  993   1HE   LYS  33          2HE       LYS  33 -14.617 -12.684 -12.684
  994   2HE   LYS  33          1HE       LYS  33 -14.502 -12.887 -12.887
  995   1HZ   LYS  33          1HZ       LYS  33 -13.833 -10.389 -10.389
  996   2HZ   LYS  33          3HZ       LYS  33 -15.288 -10.654 -10.654
  997   3HZ   LYS  33          2HZ       LYS  33 -13.819 -10.603 -10.603
  998    H    GLU  34           H        GLU  34  -8.347 -13.617 -13.617
  999    HA   GLU  34           HA       GLU  34  -8.731 -13.216 -13.216
 1000   1HB   GLU  34          2HB       GLU  34  -7.315 -14.896 -14.896
 1001   2HB   GLU  34          1HB       GLU  34  -6.013 -13.892 -13.892
 1002   1HG   GLU  34          2HG       GLU  34  -6.117 -14.964 -14.964
 1003   2HG   GLU  34          1HG       GLU  34  -7.841 -14.611 -14.611
 1004    H    LEU  35           H        LEU  35  -6.420 -11.880 -11.880
 1005    HA   LEU  35           HA       LEU  35  -4.760 -10.316 -10.316
 1006   1HB   LEU  35          2HB       LEU  35  -5.438 -10.677 -10.677
 1007   2HB   LEU  35          1HB       LEU  35  -5.793  -8.976  -8.976
 1008    HG   LEU  35           HG       LEU  35  -3.303  -9.736  -9.736
 1009   1HD1  LEU  35          3HD1      LEU  35  -3.366 -11.381 -11.381
 1010   2HD1  LEU  35          2HD1      LEU  35  -3.436 -10.024 -10.024
 1011   3HD1  LEU  35          1HD1      LEU  35  -2.034 -10.253 -10.253
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.310  -7.448  -7.448
 1013   2HD2  LEU  35          3HD2      LEU  35  -2.587  -7.704  -7.704
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.735  -7.838  -7.838
 1015    H    ILE  36           H        ILE  36  -7.826  -9.168  -9.168
 1016    HA   ILE  36           HA       ILE  36  -7.808  -6.668  -6.668
 1017    HB   ILE  36           HB       ILE  36 -10.287  -8.146  -8.146
 1018   1HG1  ILE  36          2HG1      ILE  36  -8.910  -8.593  -8.593
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.702  -7.081  -7.081
 1020   1HG2  ILE  36          2HG2      ILE  36  -9.369  -5.266  -5.266
 1021   2HG2  ILE  36          1HG2      ILE  36 -10.882  -5.853  -5.853
 1022   3HG2  ILE  36          3HG2      ILE  36 -10.615  -5.942  -5.942
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.631  -5.977  -5.977
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.876  -7.541  -7.541
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.472  -6.595  -6.595
 1026    H    ASN  37           H        ASN  37  -9.502  -9.744  -9.744
 1027    HA   ASN  37           HA       ASN  37 -10.825  -8.840  -8.840
 1028   1HB   ASN  37          2HB       ASN  37 -11.763 -10.671 -10.671
 1029   2HB   ASN  37          1HB       ASN  37 -10.199 -11.420 -11.420
 1030   1HD2  ASN  37          2HD2      ASN  37 -10.551 -13.474 -13.474
 1031   2HD2  ASN  37          1HD2      ASN  37 -10.012 -13.294 -13.294
 1032    H    ASN  38           H        ASN  38  -7.582  -9.897  -9.897
 1033    HA   ASN  38           HA       ASN  38  -6.995 -10.696 -10.696
 1034   1HB   ASN  38          2HB       ASN  38  -5.568 -10.426 -10.426
 1035   2HB   ASN  38          1HB       ASN  38  -4.599 -10.510 -10.510
 1036   1HD2  ASN  38          2HD2      ASN  38  -4.956 -14.031 -14.031
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.028 -12.675 -12.675
 1038    H    GLU  39           H        GLU  39  -7.258  -7.778  -7.778
 1039    HA   GLU  39           HA       GLU  39  -5.556  -6.305  -6.305
 1040   1HB   GLU  39          2HB       GLU  39  -5.335  -4.650  -4.650
 1041   2HB   GLU  39          1HB       GLU  39  -4.784  -6.245  -6.245
 1042   1HG   GLU  39          2HG       GLU  39  -6.941  -6.657  -6.657
 1043   2HG   GLU  39          1HG       GLU  39  -7.519  -5.077  -5.077
 1044    H    LEU  40           H        LEU  40  -8.588  -6.256  -6.256
 1045    HA   LEU  40           HA       LEU  40  -9.706  -4.341  -4.341
 1046   1HB   LEU  40          2HB       LEU  40 -10.318  -4.528  -4.528
 1047   2HB   LEU  40          1HB       LEU  40 -10.879  -3.281  -3.281
 1048    HG   LEU  40           HG       LEU  40  -7.963  -3.618  -3.618
 1049   1HD1  LEU  40          3HD1      LEU  40  -8.561  -4.103  -4.103
 1050   2HD1  LEU  40          2HD1      LEU  40  -9.257  -2.484  -2.484
 1051   3HD1  LEU  40          1HD1      LEU  40  -7.533  -2.689  -2.689
 1052   1HD2  LEU  40          2HD2      LEU  40  -9.913  -1.324  -1.324
 1053   2HD2  LEU  40          1HD2      LEU  40  -9.000  -1.744  -1.744
 1054   3HD2  LEU  40          3HD2      LEU  40  -8.163  -1.107  -1.107
 1055    H    SER  41           H        SER  41 -10.314  -6.647  -6.647
 1056    HA   SER  41           HA       SER  41 -12.127  -8.421  -8.421
 1057   1HB   SER  41          2HB       SER  41 -11.002  -8.193  -8.193
 1058   2HB   SER  41          1HB       SER  41 -12.538  -7.441  -7.441
 1059    HG   SER  41           HG       SER  41 -13.359  -9.455  -9.455
 1060    H    HIS  42           H        HIS  42 -12.710  -5.169  -5.169
 1061    HA   HIS  42           HA       HIS  42 -15.510  -5.113  -5.113
 1062   1HB   HIS  42          2HB       HIS  42 -13.390  -3.158  -3.158
 1063   2HB   HIS  42          1HB       HIS  42 -15.089  -2.683  -2.683
 1064    HD1  HIS  42           HD1      HIS  42 -15.337  -1.265  -1.265
 1065    HD2  HIS  42           HD2      HIS  42 -13.250  -4.789  -4.789
 1066    HE1  HIS  42           HE1      HIS  42 -14.987  -1.353  -1.353
 1067    H    PHE  43           H        PHE  43 -13.437  -5.043  -5.043
 1068    HA   PHE  43           HA       PHE  43 -15.598  -4.501  -4.501
 1069   1HB   PHE  43          2HB       PHE  43 -12.715  -5.238  -5.238
 1070   2HB   PHE  43          1HB       PHE  43 -13.641  -5.619  -5.619
 1071    HD1  PHE  43           HD1      PHE  43 -15.640  -3.162  -3.162
 1072    HD2  PHE  43           HD2      PHE  43 -11.352  -3.589  -3.589
 1073    HE1  PHE  43           HE1      PHE  43 -15.389  -0.823  -0.823
 1074    HE2  PHE  43           HE2      PHE  43 -11.129  -1.236  -1.236
 1075    HZ   PHE  43           HZ       PHE  43 -13.153   0.145   0.145
 1076    H    LEU  44           H        LEU  44 -14.451  -7.317  -7.317
 1077    HA   LEU  44           HA       LEU  44 -14.963  -9.466  -9.466
 1078   1HB   LEU  44          2HB       LEU  44 -14.367  -9.270  -9.270
 1079   2HB   LEU  44          1HB       LEU  44 -16.113  -9.319  -9.319
 1080    HG   LEU  44           HG       LEU  44 -16.196 -11.435 -11.435
 1081   1HD1  LEU  44          1HD1      LEU  44 -13.606 -10.589 -10.589
 1082   2HD1  LEU  44          3HD1      LEU  44 -13.384 -12.061 -12.061
 1083   3HD1  LEU  44          2HD1      LEU  44 -14.414 -12.081 -12.081
 1084   1HD2  LEU  44          3HD2      LEU  44 -15.698 -11.172 -11.172
 1085   2HD2  LEU  44          2HD2      LEU  44 -15.605 -12.758 -12.758
 1086   3HD2  LEU  44          1HD2      LEU  44 -14.131 -11.843 -11.843
 1087    H    GLU  45           H        GLU  45 -17.133  -7.187  -7.187
 1088    HA   GLU  45           HA       GLU  45 -19.578  -8.577  -8.577
 1089   1HB   GLU  45          2HB       GLU  45 -18.722  -6.645  -6.645
 1090   2HB   GLU  45          1HB       GLU  45 -20.022  -5.942  -5.942
 1091   1HG   GLU  45          2HG       GLU  45 -21.318  -7.061  -7.061
 1092   2HG   GLU  45          1HG       GLU  45 -21.083  -8.377  -8.377
 1093    H    GLU  46           H        GLU  46 -17.571  -5.769  -5.769
 1094    HA   GLU  46           HA       GLU  46 -17.500  -4.431  -4.431
 1095   1HB   GLU  46          2HB       GLU  46 -17.860  -6.856  -6.856
 1096   2HB   GLU  46          1HB       GLU  46 -19.533  -6.361  -6.361
 1097   1HG   GLU  46          2HG       GLU  46 -18.982  -5.202  -5.202
 1098   2HG   GLU  46          1HG       GLU  46 -17.673  -4.369  -4.369
 1099    H    ILE  47           H        ILE  47 -20.861  -5.668  -5.668
 1100    HA   ILE  47           HA       ILE  47 -22.432  -3.622  -3.622
 1101    HB   ILE  47           HB       ILE  47 -22.979  -5.759  -5.759
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.639  -3.988  -3.988
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.148  -4.942  -4.942
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.504  -3.771  -3.771
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.396  -5.280  -5.280
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.693  -5.316  -5.316
 1107   1HD1  ILE  47          1HD1      ILE  47 -23.698  -2.739  -2.739
 1108   2HD1  ILE  47          3HD1      ILE  47 -24.789  -2.092  -2.092
 1109   3HD1  ILE  47          2HD1      ILE  47 -25.431  -3.036  -3.036
 1110    H    LYS  48           H        LYS  48 -20.336  -3.578  -3.578
 1111    HA   LYS  48           HA       LYS  48 -21.041  -1.398  -1.398
 1112   1HB   LYS  48          2HB       LYS  48 -18.300  -2.041  -2.041
 1113   2HB   LYS  48          1HB       LYS  48 -18.588  -1.097  -1.097
 1114   1HG   LYS  48          2HG       LYS  48 -19.087  -4.039  -4.039
 1115   2HG   LYS  48          1HG       LYS  48 -18.110  -3.277  -3.277
 1116   1HD   LYS  48          2HD       LYS  48 -20.280  -2.208  -2.208
 1117   2HD   LYS  48          1HD       LYS  48 -21.124  -3.333  -3.333
 1118   1HE   LYS  48          2HE       LYS  48 -21.060  -4.630  -4.630
 1119   2HE   LYS  48          1HE       LYS  48 -19.488  -5.087  -5.087
 1120   1HZ   LYS  48          2HZ       LYS  48 -18.632  -3.004  -3.004
 1121   2HZ   LYS  48          1HZ       LYS  48 -20.064  -3.070  -3.070
 1122   3HZ   LYS  48          3HZ       LYS  48 -18.965  -4.359  -4.359
 1123    H    GLU  49           H        GLU  49 -19.973  -1.432  -1.432
 1124    HA   GLU  49           HA       GLU  49 -20.643   1.439   1.439
 1125   1HB   GLU  49          2HB       GLU  49 -18.316   1.416   1.416
 1126   2HB   GLU  49          1HB       GLU  49 -18.394   1.808   1.808
 1127   1HG   GLU  49          2HG       GLU  49 -18.193  -1.085  -1.085
 1128   2HG   GLU  49          1HG       GLU  49 -16.787  -0.139  -0.139
 1129    H    GLN  50           H        GLN  50 -22.353   0.731   0.731
 1130    HA   GLN  50           HA       GLN  50 -22.186  -1.190  -1.190
 1131   1HB   GLN  50          2HB       GLN  50 -23.780   1.281   1.281
 1132   2HB   GLN  50          1HB       GLN  50 -23.962   0.518   0.518
 1133   1HG   GLN  50          2HG       GLN  50 -24.232  -0.951  -0.951
 1134   2HG   GLN  50          1HG       GLN  50 -25.595  -0.337  -0.337
 1135   1HE2  GLN  50          2HE2      GLN  50 -25.299  -2.830  -2.830
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.887  -1.272  -1.272
 1137    H    GLU  51           H        GLU  51 -21.517   2.333   2.333
 1138    HA   GLU  51           HA       GLU  51 -20.868   2.456   2.456
 1139   1HB   GLU  51          2HB       GLU  51 -21.201   4.403   4.403
 1140   2HB   GLU  51          1HB       GLU  51 -19.778   3.973   3.973
 1141   1HG   GLU  51          2HG       GLU  51 -18.554   4.027   4.027
 1142   2HG   GLU  51          1HG       GLU  51 -19.927   5.027   5.027
 1143    H    VAL  52           H        VAL  52 -18.864   1.574   1.574
 1144    HA   VAL  52           HA       VAL  52 -16.405   1.336   1.336
 1145    HB   VAL  52           HB       VAL  52 -17.190   0.244   0.244
 1146   1HG1  VAL  52          3HG1      VAL  52 -14.625   0.474   0.474
 1147   2HG1  VAL  52          2HG1      VAL  52 -14.574   0.710   0.710
 1148   3HG1  VAL  52          1HG1      VAL  52 -15.171  -0.810  -0.810
 1149   1HG2  VAL  52          3HG2      VAL  52 -17.514   2.695   2.695
 1150   2HG2  VAL  52          2HG2      VAL  52 -16.163   2.308   2.308
 1151   3HG2  VAL  52          1HG2      VAL  52 -15.858   2.863   2.863
 1152    H    VAL  53           H        VAL  53 -18.882  -0.877  -0.877
 1153    HA   VAL  53           HA       VAL  53 -17.795  -3.378  -3.378
 1154    HB   VAL  53           HB       VAL  53 -20.620  -2.295  -2.295
 1155   1HG1  VAL  53          3HG1      VAL  53 -19.500  -4.838  -4.838
 1156   2HG1  VAL  53          2HG1      VAL  53 -20.548  -5.058  -5.058
 1157   3HG1  VAL  53          1HG1      VAL  53 -21.189  -4.337  -4.337
 1158   1HG2  VAL  53          1HG2      VAL  53 -19.014  -2.775  -2.775
 1159   2HG2  VAL  53          3HG2      VAL  53 -20.701  -2.266  -2.266
 1160   3HG2  VAL  53          2HG2      VAL  53 -20.300  -3.982  -3.982
 1161    H    ASP  54           H        ASP  54 -19.163  -0.833  -0.833
 1162    HA   ASP  54           HA       ASP  54 -19.159  -2.282  -2.282
 1163   1HB   ASP  54          2HB       ASP  54 -20.625  -0.464  -0.464
 1164   2HB   ASP  54          1HB       ASP  54 -19.505   0.519   0.519
 1165    H    LYS  55           H        LYS  55 -16.999   0.045   0.045
 1166    HA   LYS  55           HA       LYS  55 -15.012   0.038   0.038
 1167   1HB   LYS  55          2HB       LYS  55 -15.396   1.121   1.121
 1168   2HB   LYS  55          1HB       LYS  55 -13.741   1.037   1.037
 1169   1HG   LYS  55          2HG       LYS  55 -14.143   2.920   2.920
 1170   2HG   LYS  55          1HG       LYS  55 -15.279   2.001   2.001
 1171   1HD   LYS  55          2HD       LYS  55 -17.102   2.539   2.539
 1172   2HD   LYS  55          1HD       LYS  55 -15.992   3.356   3.356
 1173   1HE   LYS  55          2HE       LYS  55 -15.472   5.032   5.032
 1174   2HE   LYS  55          1HE       LYS  55 -16.531   4.192   4.192
 1175   1HZ   LYS  55          3HZ       LYS  55 -17.379   5.254   5.254
 1176   2HZ   LYS  55          2HZ       LYS  55 -17.698   5.997   5.997
 1177   3HZ   LYS  55          1HZ       LYS  55 -18.379   4.484   4.484
 1178    H    VAL  56           H        VAL  56 -14.767  -1.100  -1.100
 1179    HA   VAL  56           HA       VAL  56 -12.429  -2.546  -2.546
 1180    HB   VAL  56           HB       VAL  56 -15.132  -3.081  -3.081
 1181   1HG1  VAL  56          3HG1      VAL  56 -12.836  -4.911  -4.911
 1182   2HG1  VAL  56          2HG1      VAL  56 -13.352  -4.593  -4.593
 1183   3HG1  VAL  56          1HG1      VAL  56 -14.499  -5.240  -5.240
 1184   1HG2  VAL  56          3HG2      VAL  56 -13.667  -1.157  -1.157
 1185   2HG2  VAL  56          2HG2      VAL  56 -14.035  -2.313  -2.313
 1186   3HG2  VAL  56          1HG2      VAL  56 -12.458  -2.344  -2.344
 1187    H    MET  57           H        MET  57 -15.622  -3.867  -3.867
 1188    HA   MET  57           HA       MET  57 -14.512  -6.358  -6.358
 1189   1HB   MET  57          2HB       MET  57 -17.117  -4.890  -4.890
 1190   2HB   MET  57          1HB       MET  57 -16.811  -6.579  -6.579
 1191   1HG   MET  57          2HG       MET  57 -16.296  -6.986  -6.986
 1192   2HG   MET  57          1HG       MET  57 -16.856  -5.346  -5.346
 1193   1HE   MET  57          2HE       MET  57 -17.504  -8.594  -8.594
 1194   2HE   MET  57          1HE       MET  57 -19.187  -9.004  -9.004
 1195   3HE   MET  57          3HE       MET  57 -18.001  -9.012  -9.012
 1196    H    GLU  58           H        GLU  58 -15.249  -3.216  -3.216
 1197    HA   GLU  58           HA       GLU  58 -15.098  -3.835  -3.835
 1198   1HB   GLU  58          2HB       GLU  58 -15.650  -1.650  -1.650
 1199   2HB   GLU  58          1HB       GLU  58 -14.805  -1.535  -1.535
 1200   1HG   GLU  58          2HG       GLU  58 -13.820  -0.036  -0.036
 1201   2HG   GLU  58          1HG       GLU  58 -12.666  -1.249  -1.249
 1202    H    THR  59           H        THR  59 -12.391  -2.810  -2.810
 1203    HA   THR  59           HA       THR  59 -10.385  -3.358  -3.358
 1204    HB   THR  59           HB       THR  59 -10.374  -2.721  -2.721
 1205    HG1  THR  59           HG1      THR  59 -10.021  -1.359  -1.359
 1206   1HG2  THR  59          2HG2      THR  59  -8.082  -3.328  -3.328
 1207   2HG2  THR  59          1HG2      THR  59  -7.870  -2.302  -2.302
 1208   3HG2  THR  59          3HG2      THR  59  -8.383  -3.978  -3.978
 1209    H    LEU  60           H        LEU  60 -11.484  -5.026  -5.026
 1210    HA   LEU  60           HA       LEU  60  -9.657  -7.106  -7.106
 1211   1HB   LEU  60          2HB       LEU  60 -11.550  -6.771  -6.771
 1212   2HB   LEU  60          1HB       LEU  60 -12.686  -7.132  -7.132
 1213    HG   LEU  60           HG       LEU  60 -12.098  -9.421  -9.421
 1214   1HD1  LEU  60          3HD1      LEU  60  -9.619  -9.000  -9.000
 1215   2HD1  LEU  60          2HD1      LEU  60  -9.737  -8.783  -8.783
 1216   3HD1  LEU  60          1HD1      LEU  60 -10.120 -10.345 -10.345
 1217   1HD2  LEU  60          2HD2      LEU  60 -12.757  -8.155  -8.155
 1218   2HD2  LEU  60          1HD2      LEU  60 -13.193  -9.774  -9.774
 1219   3HD2  LEU  60          3HD2      LEU  60 -11.693  -9.520  -9.520
 1220    H    ASP  61           H        ASP  61 -12.147  -6.650  -6.650
 1221    HA   ASP  61           HA       ASP  61 -11.653  -9.310  -9.310
 1222   1HB   ASP  61          2HB       ASP  61 -13.708  -7.303  -7.303
 1223   2HB   ASP  61          1HB       ASP  61 -13.286  -7.614  -7.614
 1224    H    SER  62           H        SER  62 -10.838  -5.923  -5.923
 1225    HA   SER  62           HA       SER  62  -9.706  -6.449  -6.449
 1226   1HB   SER  62          2HB       SER  62  -9.896  -4.176  -4.176
 1227   2HB   SER  62          1HB       SER  62 -10.941  -4.332  -4.332
 1228    HG   SER  62           HG       SER  62  -8.821  -2.903  -2.903
 1229    H    ASP  63           H        ASP  63  -8.613  -5.693  -5.693
 1230    HA   ASP  63           HA       ASP  63  -5.949  -5.116  -5.116
 1231   1HB   ASP  63          2HB       ASP  63  -7.555  -5.852  -5.852
 1232   2HB   ASP  63          1HB       ASP  63  -6.850  -7.447  -7.447
 1233    H    GLY  64           H        GLY  64  -4.897  -5.958  -5.958
 1234   1HA   GLY  64          2HA       GLY  64  -3.924  -7.614  -7.614
 1235   2HA   GLY  64          1HA       GLY  64  -3.401  -8.285  -8.285
 1236    H    ASP  65           H        ASP  65  -6.743  -7.906  -7.906
 1237    HA   ASP  65           HA       ASP  65  -8.068 -10.025 -10.025
 1238   1HB   ASP  65          2HB       ASP  65  -8.821  -8.360  -8.360
 1239   2HB   ASP  65          1HB       ASP  65  -7.948  -9.258  -9.258
 1240    H    GLY  66           H        GLY  66  -7.747 -12.197 -12.197
 1241   1HA   GLY  66          2HA       GLY  66  -7.307 -14.391 -14.391
 1242   2HA   GLY  66          1HA       GLY  66  -6.524 -13.661 -13.661
 1243    H    GLU  67           H        GLU  67  -4.863 -11.853 -11.853
 1244    HA   GLU  67           HA       GLU  67  -3.152 -13.657 -13.657
 1245   1HB   GLU  67          2HB       GLU  67  -2.335 -14.038 -14.038
 1246   2HB   GLU  67          1HB       GLU  67  -2.455 -12.329 -12.329
 1247   1HG   GLU  67          2HG       GLU  67  -0.587 -11.748 -11.748
 1248   2HG   GLU  67          1HG       GLU  67  -0.672 -13.232 -13.232
 1249    H    CYS  68           H        CYS  68  -3.342 -12.291 -12.291
 1250    HA   CYS  68           HA       CYS  68  -2.865  -9.379  -9.379
 1251   1HB   CYS  68          2HB       CYS  68  -3.624 -11.240 -11.240
 1252   2HB   CYS  68          1HB       CYS  68  -3.354  -9.512  -9.512
 1253    HG   CYS  68           HG       CYS  68  -5.319  -9.883  -9.883
 1254    H    ASP  69           H        ASP  69  -0.616  -9.274  -9.274
 1255    HA   ASP  69           HA       ASP  69   1.317 -10.702 -10.702
 1256   1HB   ASP  69          2HB       ASP  69   1.383  -8.973  -8.973
 1257   2HB   ASP  69          1HB       ASP  69   2.873  -9.406  -9.406
 1258    H    PHE  70           H        PHE  70   3.322  -9.342  -9.342
 1259    HA   PHE  70           HA       PHE  70   3.431  -7.958  -7.958
 1260   1HB   PHE  70          2HB       PHE  70   4.694  -7.531  -7.531
 1261   2HB   PHE  70          1HB       PHE  70   5.016  -6.321  -6.321
 1262    HD1  PHE  70           HD1      PHE  70   4.179  -9.660  -9.660
 1263    HD2  PHE  70           HD2      PHE  70   7.429  -7.087  -7.087
 1264    HE1  PHE  70           HE1      PHE  70   5.763 -11.200 -11.200
 1265    HE2  PHE  70           HE2      PHE  70   9.029  -8.626  -8.626
 1266    HZ   PHE  70           HZ       PHE  70   8.188 -10.693 -10.693
 1267    H    GLN  71           H        GLN  71   3.387  -5.653  -5.653
 1268    HA   GLN  71           HA       GLN  71   2.236  -3.562  -3.562
 1269   1HB   GLN  71          2HB       GLN  71   2.031  -2.529  -2.529
 1270   2HB   GLN  71          1HB       GLN  71   3.629  -3.137  -3.137
 1271   1HG   GLN  71          2HG       GLN  71   3.590  -4.755  -4.755
 1272   2HG   GLN  71          1HG       GLN  71   1.907  -5.165  -5.165
 1273   1HE2  GLN  71          2HE2      GLN  71   1.029  -3.670  -3.670
 1274   2HE2  GLN  71          1HE2      GLN  71   0.981  -5.055  -5.055
 1275    H    GLU  72           H        GLU  72   0.741  -6.233  -6.233
 1276    HA   GLU  72           HA       GLU  72  -1.854  -4.931  -4.931
 1277   1HB   GLU  72          2HB       GLU  72  -1.386  -7.899  -7.899
 1278   2HB   GLU  72          1HB       GLU  72  -2.429  -7.020  -7.020
 1279   1HG   GLU  72          2HG       GLU  72   0.019  -5.995  -5.995
 1280   2HG   GLU  72          1HG       GLU  72   0.448  -7.648  -7.648
 1281    H    PHE  73           H        PHE  73  -0.392  -7.107  -7.107
 1282    HA   PHE  73           HA       PHE  73  -2.747  -7.469  -7.469
 1283   1HB   PHE  73          2HB       PHE  73  -1.146  -9.020  -9.020
 1284   2HB   PHE  73          1HB       PHE  73   0.155  -7.942  -7.942
 1285    HD1  PHE  73           HD1      PHE  73   0.493  -5.867  -5.867
 1286    HD2  PHE  73           HD2      PHE  73  -1.340  -9.599  -9.599
 1287    HE1  PHE  73           HE1      PHE  73   0.994  -5.451  -5.451
 1288    HE2  PHE  73           HE2      PHE  73  -0.839  -9.190  -9.190
 1289    HZ   PHE  73           HZ       PHE  73   0.328  -7.116  -7.116
 1290    H    MET  74           H        MET  74  -0.189  -5.041  -5.041
 1291    HA   MET  74           HA       MET  74  -1.159  -3.620  -3.620
 1292   1HB   MET  74          2HB       MET  74   1.049  -3.426  -3.426
 1293   2HB   MET  74          1HB       MET  74   0.591  -1.937  -1.937
 1294   1HG   MET  74          2HG       MET  74   1.513  -4.518  -4.518
 1295   2HG   MET  74          1HG       MET  74   2.369  -2.985  -2.985
 1296   1HE   MET  74          2HE       MET  74   0.595  -0.892  -0.892
 1297   2HE   MET  74          1HE       MET  74  -1.025  -1.584  -1.584
 1298   3HE   MET  74          3HE       MET  74  -0.379  -0.744  -0.744
 1299    H    ALA  75           H        ALA  75  -1.603  -3.629  -3.629
 1300    HA   ALA  75           HA       ALA  75  -2.556  -0.978  -0.978
 1301   1HB   ALA  75          2HB       ALA  75  -2.894  -3.720  -3.720
 1302   2HB   ALA  75          1HB       ALA  75  -3.805  -2.363  -2.363
 1303   3HB   ALA  75          3HB       ALA  75  -2.040  -2.326  -2.326
 1304    H    PHE  76           H        PHE  76  -4.386  -3.995  -3.995
 1305    HA   PHE  76           HA       PHE  76  -6.922  -2.644  -2.644
 1306   1HB   PHE  76          2HB       PHE  76  -6.862  -4.871  -4.871
 1307   2HB   PHE  76          1HB       PHE  76  -5.843  -5.430  -5.430
 1308    HD1  PHE  76           HD2      PHE  76  -9.037  -3.458  -3.458
 1309    HD2  PHE  76           HD1      PHE  76  -6.979  -6.864  -6.864
 1310    HE1  PHE  76           HE2      PHE  76 -11.054  -4.058  -4.058
 1311    HE2  PHE  76           HE1      PHE  76  -8.996  -7.470  -7.470
 1312    HZ   PHE  76           HZ       PHE  76 -11.036  -6.064  -6.064
 1313    H    VAL  77           H        VAL  77  -4.692  -4.317  -4.317
 1314    HA   VAL  77           HA       VAL  77  -6.133  -3.895  -3.895
 1315    HB   VAL  77           HB       VAL  77  -3.761  -4.932  -4.932
 1316   1HG1  VAL  77          3HG1      VAL  77  -2.802  -2.627  -2.627
 1317   2HG1  VAL  77          2HG1      VAL  77  -2.942  -2.322  -2.322
 1318   3HG1  VAL  77          1HG1      VAL  77  -1.887  -3.610  -3.610
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.214  -4.538  -4.538
 1320   2HG2  VAL  77          1HG2      VAL  77  -3.755  -5.521  -5.521
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.644  -3.844  -3.844
 1322    H    ALA  78           H        ALA  78  -4.376  -1.643  -1.643
 1323    HA   ALA  78           HA       ALA  78  -4.529   0.600   0.600
 1324   1HB   ALA  78          2HB       ALA  78  -3.610   0.047   0.047
 1325   2HB   ALA  78          1HB       ALA  78  -3.979   1.722   1.722
 1326   3HB   ALA  78          3HB       ALA  78  -2.752   0.840   0.840
 1327    H    MET  79           H        MET  79  -6.244  -0.497  -0.497
 1328    HA   MET  79           HA       MET  79  -8.052   1.680   1.680
 1329   1HB   MET  79          2HB       MET  79  -7.702  -0.179  -0.179
 1330   2HB   MET  79          1HB       MET  79  -8.438  -1.300  -1.300
 1331   1HG   MET  79          2HG       MET  79 -10.234  -0.763  -0.763
 1332   2HG   MET  79          1HG       MET  79 -10.460   0.346   0.346
 1333   1HE   MET  79          2HE       MET  79  -9.791   2.783   2.783
 1334   2HE   MET  79          1HE       MET  79 -10.353   3.704   3.704
 1335   3HE   MET  79          3HE       MET  79 -11.395   2.475   2.475
 1336    H    ILE  80           H        ILE  80  -8.112  -1.179  -1.179
 1337    HA   ILE  80           HA       ILE  80 -10.768  -0.647  -0.647
 1338    HB   ILE  80           HB       ILE  80  -8.459  -2.174  -2.174
 1339   1HG1  ILE  80          2HG1      ILE  80 -10.435  -3.246  -3.246
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.781  -2.802  -2.802
 1341   1HG2  ILE  80          3HG2      ILE  80 -11.356  -1.941  -1.941
 1342   2HG2  ILE  80          2HG2      ILE  80 -10.781  -3.606  -3.606
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.093  -2.489  -2.489
 1344   1HD1  ILE  80          1HD1      ILE  80  -8.503  -4.382  -4.382
 1345   2HD1  ILE  80          3HD1      ILE  80  -9.775  -5.191  -5.191
 1346   3HD1  ILE  80          2HD1      ILE  80  -8.203  -4.896  -4.896
 1347    H    THR  81           H        THR  81  -7.490  -0.536  -0.536
 1348    HA   THR  81           HA       THR  81  -7.793   0.770   0.770
 1349    HB   THR  81           HB       THR  81  -5.758   1.135   1.135
 1350    HG1  THR  81           HG1      THR  81  -6.258  -0.888  -0.888
 1351   1HG2  THR  81          2HG2      THR  81  -5.988   2.412   2.412
 1352   2HG2  THR  81          1HG2      THR  81  -4.402   1.756   1.756
 1353   3HG2  THR  81          3HG2      THR  81  -5.148   2.969   2.969
 1354    H    THR  82           H        THR  82  -8.064   2.162   2.162
 1355    HA   THR  82           HA       THR  82  -8.233   4.919   4.919
 1356    HB   THR  82           HB       THR  82  -9.064   5.095   5.095
 1357    HG1  THR  82           HG1      THR  82  -8.750   3.328   3.328
 1358   1HG2  THR  82          1HG2      THR  82  -6.332   4.504   4.504
 1359   2HG2  THR  82          3HG2      THR  82  -6.544   4.701   4.701
 1360   3HG2  THR  82          2HG2      THR  82  -6.963   6.023   6.023
 1361    H    ALA  83           H        ALA  83 -10.443   2.333   2.333
 1362    HA   ALA  83           HA       ALA  83 -12.822   4.069   4.069
 1363   1HB   ALA  83          3HB       ALA  83 -12.405   2.241   2.241
 1364   2HB   ALA  83          2HB       ALA  83 -12.710   1.085   1.085
 1365   3HB   ALA  83          1HB       ALA  83 -13.970   2.220   2.220
 1366    H    CYS  84           H        CYS  84 -10.790   2.743   2.743
 1367    HA   CYS  84           HA       CYS  84 -12.677   1.284   1.284
 1368   1HB   CYS  84          2HB       CYS  84 -10.369   0.587   0.587
 1369   2HB   CYS  84          1HB       CYS  84  -9.804   2.215   2.215
 1370    HG   CYS  84           HG       CYS  84 -11.145   0.288   0.288
 1371    H    HIS  85           H        HIS  85 -10.496   3.538   3.538
 1372    HA   HIS  85           HA       HIS  85 -12.652   5.490   5.490
 1373   1HB   HIS  85          2HB       HIS  85 -12.192   3.240   3.240
 1374   2HB   HIS  85          1HB       HIS  85 -11.359   4.541   4.541
 1375    HD1  HIS  85           HD1      HIS  85 -14.603   3.056   3.056
 1376    HD2  HIS  85           HD2      HIS  85 -13.229   6.966   6.966
 1377    HE1  HIS  85           HE1      HIS  85 -16.563   4.407   4.407
 1378    H    GLU  86           H        GLU  86 -11.125   6.394   6.394
 1379    HA   GLU  86           HA       GLU  86  -9.405   7.953   7.953
 1380   1HB   GLU  86          2HB       GLU  86  -8.038   6.116   6.116
 1381   2HB   GLU  86          1HB       GLU  86  -7.210   7.202   7.202
 1382   1HG   GLU  86          2HG       GLU  86  -7.890   5.974   5.974
 1383   2HG   GLU  86          1HG       GLU  86  -9.168   5.146   5.146
 1384    H    PHE  87           H        PHE  87  -7.394   8.955   8.955
 1385    HA   PHE  87           HA       PHE  87  -8.576  11.117  11.117
 1386   1HB   PHE  87          2HB       PHE  87  -6.221  11.106  11.106
 1387   2HB   PHE  87          1HB       PHE  87  -6.139   9.447   9.447
 1388    HD1  PHE  87           HD1      PHE  87  -7.142  12.893  12.893
 1389    HD2  PHE  87           HD2      PHE  87  -5.884   8.991   8.991
 1390    HE1  PHE  87           HE1      PHE  87  -7.022  13.705  13.705
 1391    HE2  PHE  87           HE2      PHE  87  -5.787   9.790   9.790
 1392    HZ   PHE  87           HZ       PHE  87  -6.347  12.166  12.166
 1393    H    PHE  88           H        PHE  88  -7.597   8.169   8.169
 1394    HA   PHE  88           HA       PHE  88  -8.656   8.538   8.538
 1395   1HB   PHE  88          2HB       PHE  88  -8.696   6.132   6.132
 1396   2HB   PHE  88          1HB       PHE  88  -9.191   6.041   6.041
 1397    HD1  PHE  88           HD1      PHE  88  -7.216   8.217   8.217
 1398    HD2  PHE  88           HD2      PHE  88  -6.719   4.746   4.746
 1399    HE1  PHE  88           HE1      PHE  88  -4.863   8.076   8.076
 1400    HE2  PHE  88           HE2      PHE  88  -4.348   4.604   4.604
 1401    HZ   PHE  88           HZ       PHE  88  -3.414   6.264   6.264
 1402    H    GLU  89           H        GLU  89 -10.597   9.568   9.568
 1403    HA   GLU  89           HA       GLU  89 -13.089   8.210   8.210
 1404   1HB   GLU  89          2HB       GLU  89 -11.986  10.362  10.362
 1405   2HB   GLU  89          1HB       GLU  89 -13.277  11.075  11.075
 1406   1HG   GLU  89          2HG       GLU  89 -14.933   9.764   9.764
 1407   2HG   GLU  89          1HG       GLU  89 -13.787   8.517   8.517
 1408    H    HIS  90           H        HIS  90 -14.658  10.612  10.612
 1409    HA   HIS  90           HA       HIS  90 -14.192  10.564  10.564
 1410   1HB   HIS  90          2HB       HIS  90 -16.763  11.128  11.128
 1411   2HB   HIS  90          1HB       HIS  90 -16.581  10.698  10.698
 1412    HD1  HIS  90           HD1      HIS  90 -16.616   9.232   9.232
 1413    HD2  HIS  90           HD2      HIS  90 -16.051   7.919   7.919
 1414    HE1  HIS  90           HE1      HIS  90 -16.713   6.703   6.703
 1415    H    GLU  91           H        GLU  91 -12.911  12.462  12.462
 1416    HA   GLU  91           HA       GLU  91 -12.442  14.784  14.784
 1417   1HB   GLU  91          2HB       GLU  91 -15.026  14.160  14.160
 1418   2HB   GLU  91          1HB       GLU  91 -15.173  15.668  15.668
 1419   1HG   GLU  91          2HG       GLU  91 -13.203  16.562  16.562
 1420   2HG   GLU  91          1HG       GLU  91 -13.183  15.084  15.084

  Start of MODEL    3
    1   1H    MET   0          1H        MET   0   0.215  -9.829  -9.829
    2   2H    MET   0          3H        MET   0  -0.909 -11.004 -11.004
    3   3H    MET   0          2H        MET   0   0.756 -11.333 -11.333
    4    HA   MET   0           HA       MET   0   1.080  -9.919  -9.919
    5   1HB   MET   0          2HB       MET   0  -0.428 -10.924 -10.924
    6   2HB   MET   0          1HB       MET   0  -0.232 -12.096 -12.096
    7   1HG   MET   0          2HG       MET   0  -2.340 -10.451 -10.451
    8   2HG   MET   0          1HG       MET   0  -2.637 -10.723 -10.723
    9   1HE   MET   0          2HE       MET   0  -2.784 -11.519 -11.519
   10   2HE   MET   0          1HE       MET   0  -3.860 -12.913 -12.913
   11   3HE   MET   0          3HE       MET   0  -2.116 -13.129 -13.129
   12    H    SER   1           H        SER   1  -1.718  -9.141  -9.141
   13    HA   SER   1           HA       SER   1  -2.942  -7.142  -7.142
   14   1HB   SER   1          2HB       SER   1  -2.705  -7.628  -7.628
   15   2HB   SER   1          1HB       SER   1  -3.689  -6.321  -6.321
   16    HG   SER   1           HG       SER   1  -3.925  -9.109  -9.109
   17    H    GLU   2           H        GLU   2   0.110  -7.196  -7.196
   18    HA   GLU   2           HA       GLU   2   0.703  -4.667  -4.667
   19   1HB   GLU   2          2HB       GLU   2   2.208  -6.486  -6.486
   20   2HB   GLU   2          1HB       GLU   2   2.953  -5.093  -5.093
   21   1HG   GLU   2          2HG       GLU   2   1.539  -7.285  -7.285
   22   2HG   GLU   2          1HG       GLU   2   3.271  -7.316  -7.316
   23    H    LEU   3           H        LEU   3   1.027  -5.574  -5.574
   24    HA   LEU   3           HA       LEU   3   1.423  -2.943  -2.943
   25   1HB   LEU   3          2HB       LEU   3   2.042  -4.543  -4.543
   26   2HB   LEU   3          1HB       LEU   3   0.840  -5.682  -5.682
   27    HG   LEU   3           HG       LEU   3   0.573  -4.879  -4.879
   28   1HD1  LEU   3          1HD1      LEU   3  -1.309  -5.469  -5.469
   29   2HD1  LEU   3          3HD1      LEU   3  -1.967  -4.067  -4.067
   30   3HD1  LEU   3          2HD1      LEU   3  -1.570  -5.533  -5.533
   31   1HD2  LEU   3          2HD2      LEU   3   0.712  -2.347  -2.347
   32   2HD2  LEU   3          1HD2      LEU   3   0.468  -2.672  -2.672
   33   3HD2  LEU   3          3HD2      LEU   3  -0.921  -2.513  -2.513
   34    H    GLU   4           H        GLU   4  -1.586  -4.843  -4.843
   35    HA   GLU   4           HA       GLU   4  -3.375  -3.092  -3.092
   36   1HB   GLU   4          2HB       GLU   4  -3.615  -4.853  -4.853
   37   2HB   GLU   4          1HB       GLU   4  -4.999  -4.041  -4.041
   38   1HG   GLU   4          2HG       GLU   4  -3.132  -5.829  -5.829
   39   2HG   GLU   4          1HG       GLU   4  -4.603  -6.423  -6.423
   40    H    LYS   5           H        LYS   5  -2.452  -3.107  -3.107
   41    HA   LYS   5           HA       LYS   5  -3.798  -0.715  -0.715
   42   1HB   LYS   5          2HB       LYS   5  -1.124  -1.831  -1.831
   43   2HB   LYS   5          1HB       LYS   5  -2.135  -0.705  -0.705
   44   1HG   LYS   5          2HG       LYS   5  -3.707  -2.985  -2.985
   45   2HG   LYS   5          1HG       LYS   5  -2.273  -3.526  -3.526
   46   1HD   LYS   5          2HD       LYS   5  -2.844  -1.781  -1.781
   47   2HD   LYS   5          1HD       LYS   5  -4.398  -1.597  -1.597
   48   1HE   LYS   5          2HE       LYS   5  -5.160  -3.391  -3.391
   49   2HE   LYS   5          1HE       LYS   5  -3.959  -4.395  -4.395
   50   1HZ   LYS   5          2HZ       LYS   5  -2.346  -3.242  -3.242
   51   2HZ   LYS   5          1HZ       LYS   5  -3.756  -3.044  -3.044
   52   3HZ   LYS   5          3HZ       LYS   5  -3.248  -4.600  -4.600
   53    H    ALA   6           H        ALA   6  -0.835  -1.301  -1.301
   54    HA   ALA   6           HA       ALA   6   0.199   1.399   1.399
   55   1HB   ALA   6          3HB       ALA   6   1.026  -1.063  -1.063
   56   2HB   ALA   6          2HB       ALA   6   0.615  -0.259  -0.259
   57   3HB   ALA   6          1HB       ALA   6   1.808   0.457   0.457
   58    H    VAL   7           H        VAL   7  -1.978  -0.427  -0.427
   59    HA   VAL   7           HA       VAL   7  -2.475   1.495   1.495
   60    HB   VAL   7           HB       VAL   7  -3.483  -0.989  -0.989
   61   1HG1  VAL   7          2HG1      VAL   7  -5.569   1.119   1.119
   62   2HG1  VAL   7          1HG1      VAL   7  -5.903  -0.584  -0.584
   63   3HG1  VAL   7          3HG1      VAL   7  -5.482  -0.056  -0.056
   64   1HG2  VAL   7          2HG2      VAL   7  -3.882   0.480   0.480
   65   2HG2  VAL   7          1HG2      VAL   7  -2.612  -0.683  -0.683
   66   3HG2  VAL   7          3HG2      VAL   7  -4.288  -1.215  -1.215
   67    H    VAL   8           H        VAL   8  -4.182   0.939   0.939
   68    HA   VAL   8           HA       VAL   8  -5.946   3.162   3.162
   69    HB   VAL   8           HB       VAL   8  -4.478   1.949   1.949
   70   1HG1  VAL   8          3HG1      VAL   8  -7.099   3.450   3.450
   71   2HG1  VAL   8          2HG1      VAL   8  -6.577   2.603   2.603
   72   3HG1  VAL   8          1HG1      VAL   8  -5.652   3.981   3.981
   73   1HG2  VAL   8          2HG2      VAL   8  -6.723   0.994   0.994
   74   2HG2  VAL   8          1HG2      VAL   8  -5.480   0.067   0.067
   75   3HG2  VAL   8          3HG2      VAL   8  -6.855   0.710   0.710
   76    H    ALA   9           H        ALA   9  -2.523   2.896   2.896
   77    HA   ALA   9           HA       ALA   9  -2.192   5.600   5.600
   78   1HB   ALA   9          1HB       ALA   9  -0.790   3.238   3.238
   79   2HB   ALA   9          3HB       ALA   9   0.100   4.129   4.129
   80   3HB   ALA   9          2HB       ALA   9  -0.086   4.810   4.810
   81    H    LEU  10           H        LEU  10  -1.964   3.930   3.930
   82    HA   LEU  10           HA       LEU  10  -0.606   5.899   5.899
   83   1HB   LEU  10          2HB       LEU  10  -2.964   4.170   4.170
   84   2HB   LEU  10          1HB       LEU  10  -1.758   4.872   4.872
   85    HG   LEU  10           HG       LEU  10  -1.289   2.776   2.776
   86   1HD1  LEU  10          1HD1      LEU  10  -2.221   2.330   2.330
   87   2HD1  LEU  10          3HD1      LEU  10  -0.513   2.496   2.496
   88   3HD1  LEU  10          2HD1      LEU  10  -1.026   1.258   1.258
   89   1HD2  LEU  10          3HD2      LEU  10   0.548   4.457   4.457
   90   2HD2  LEU  10          2HD2      LEU  10   1.058   2.852   2.852
   91   3HD2  LEU  10          1HD2      LEU  10   0.730   4.102   4.102
   92    H    ILE  11           H        ILE  11  -3.988   5.689   5.689
   93    HA   ILE  11           HA       ILE  11  -5.038   7.857   7.857
   94    HB   ILE  11           HB       ILE  11  -6.773   7.872   7.872
   95   1HG1  ILE  11          2HG1      ILE  11  -6.178   6.544   6.544
   96   2HG1  ILE  11          1HG1      ILE  11  -4.538   7.025   7.025
   97   1HG2  ILE  11          3HG2      ILE  11  -5.624   5.377   5.377
   98   2HG2  ILE  11          2HG2      ILE  11  -6.365   5.174   5.174
   99   3HG2  ILE  11          1HG2      ILE  11  -7.319   5.795   5.795
  100   1HD1  ILE  11          1HD1      ILE  11  -5.713   9.399   9.399
  101   2HD1  ILE  11          3HD1      ILE  11  -6.855   8.713   8.713
  102   3HD1  ILE  11          2HD1      ILE  11  -5.152   8.860   8.860
  103    H    ASP  12           H        ASP  12  -3.012   7.690   7.690
  104    HA   ASP  12           HA       ASP  12  -3.038  10.560  10.560
  105   1HB   ASP  12          2HB       ASP  12  -2.093   8.010   8.010
  106   2HB   ASP  12          1HB       ASP  12  -0.857   9.269   9.269
  107    H    VAL  13           H        VAL  13  -0.862   8.183   8.183
  108    HA   VAL  13           HA       VAL  13   1.353   9.874   9.874
  109    HB   VAL  13           HB       VAL  13   0.242   7.552   7.552
  110   1HG1  VAL  13          3HG1      VAL  13   2.648   9.159   9.159
  111   2HG1  VAL  13          2HG1      VAL  13   3.048   7.477   7.477
  112   3HG1  VAL  13          1HG1      VAL  13   2.107   7.885   7.885
  113   1HG2  VAL  13          2HG2      VAL  13   0.761   7.516   7.516
  114   2HG2  VAL  13          1HG2      VAL  13   0.932   6.114   6.114
  115   3HG2  VAL  13          3HG2      VAL  13   2.339   7.099   7.099
  116    H    PHE  14           H        PHE  14  -1.483   9.055   9.055
  117    HA   PHE  14           HA       PHE  14  -0.832  10.740  10.740
  118   1HB   PHE  14          2HB       PHE  14  -3.132   9.255   9.255
  119   2HB   PHE  14          1HB       PHE  14  -3.646  10.866  10.866
  120    HD1  PHE  14           HD2      PHE  14  -2.920  11.757  11.757
  121    HD2  PHE  14           HD1      PHE  14  -2.480   7.633   7.633
  122    HE1  PHE  14           HE2      PHE  14  -2.623  11.173  11.173
  123    HE2  PHE  14           HE1      PHE  14  -2.185   7.041   7.041
  124    HZ   PHE  14           HZ       PHE  14  -2.254   8.811   8.811
  125    H    HIS  15           H        HIS  15  -2.584  11.423  11.423
  126    HA   HIS  15           HA       HIS  15  -3.473  14.017  14.017
  127   1HB   HIS  15          2HB       HIS  15  -3.417  12.524  12.524
  128   2HB   HIS  15          1HB       HIS  15  -1.788  13.142  13.142
  129    HD1  HIS  15           HD1      HIS  15  -5.207  13.870  13.870
  130    HD2  HIS  15           HD2      HIS  15  -1.843  16.190  16.190
  131    HE1  HIS  15           HE1      HIS  15  -5.693  16.185  16.185
  132    H    GLN  16           H        GLN  16  -0.124  13.264  13.264
  133    HA   GLN  16           HA       GLN  16   0.882  15.945  15.945
  134   1HB   GLN  16          2HB       GLN  16   1.837  13.351  13.351
  135   2HB   GLN  16          1HB       GLN  16   2.929  13.982  13.982
  136   1HG   GLN  16          2HG       GLN  16   2.546  16.217  16.217
  137   2HG   GLN  16          1HG       GLN  16   2.432  14.965  14.965
  138   1HE2  GLN  16          2HE2      GLN  16   5.985  15.448  15.448
  139   2HE2  GLN  16          1HE2      GLN  16   4.549  16.010  16.010
  140    H    TYR  17           H        TYR  17   1.845  13.049  13.049
  141    HA   TYR  17           HA       TYR  17   3.006  13.826  13.826
  142   1HB   TYR  17          2HB       TYR  17   0.917  11.741  11.741
  143   2HB   TYR  17          1HB       TYR  17   1.738  11.769  11.769
  144    HD1  TYR  17           HD2      TYR  17   4.073  13.174  13.174
  145    HD2  TYR  17           HD1      TYR  17   2.211   9.381   9.381
  146    HE1  TYR  17           HE2      TYR  17   6.072  11.997  11.997
  147    HE2  TYR  17           HE1      TYR  17   4.191   8.217   8.217
  148    HH   TYR  17           HH       TYR  17   6.362   8.481   8.481
  149    H    SER  18           H        SER  18  -0.585  13.577  13.577
  150    HA   SER  18           HA       SER  18  -0.789  15.084  15.084
  151   1HB   SER  18          2HB       SER  18  -2.528  13.437  13.437
  152   2HB   SER  18          1HB       SER  18  -3.322  14.654  14.654
  153    HG   SER  18           HG       SER  18  -1.370  13.030  13.030
  154    H    GLY  19           H        GLY  19  -0.859  15.733  15.733
  155   1HA   GLY  19          2HA       GLY  19  -1.728  18.512  18.512
  156   2HA   GLY  19          1HA       GLY  19  -2.576  17.633  17.633
  157    H    ARG  20           H        ARG  20   0.875  18.020  18.020
  158    HA   ARG  20           HA       ARG  20   1.474  18.447  18.447
  159   1HB   ARG  20          2HB       ARG  20   3.833  17.970  17.970
  160   2HB   ARG  20          1HB       ARG  20   2.693  16.635  16.635
  161   1HG   ARG  20          2HG       ARG  20   2.744  16.740  16.740
  162   2HG   ARG  20          1HG       ARG  20   2.728  18.504  18.504
  163   1HD   ARG  20          2HD       ARG  20   5.213  18.107  18.107
  164   2HD   ARG  20          1HD       ARG  20   5.050  16.642  16.642
  165    HE   ARG  20           HE       ARG  20   4.136  18.457  18.457
  166   1HH1  ARG  20          1HH2      ARG  20   5.861  20.011  20.011
  167   2HH1  ARG  20          2HH2      ARG  20   7.185  20.494  20.494
  168   1HH2  ARG  20          2HH1      ARG  20   6.242  18.481  18.481
  169   2HH2  ARG  20          1HH1      ARG  20   7.401  19.627  19.627
  170    H    GLU  21           H        GLU  21   0.688  20.306  20.306
  171    HA   GLU  21           HA       GLU  21   1.790  22.726  22.726
  172   1HB   GLU  21          2HB       GLU  21   3.694  21.222  21.222
  173   2HB   GLU  21          1HB       GLU  21   3.108  22.150  22.150
  174   1HG   GLU  21          2HG       GLU  21   3.309  24.194  24.194
  175   2HG   GLU  21          1HG       GLU  21   4.409  23.135  23.135
  176    H    GLY  22           H        GLY  22   0.527  20.981  20.981
  177   1HA   GLY  22          2HA       GLY  22  -1.370  23.154  23.154
  178   2HA   GLY  22          1HA       GLY  22  -0.216  22.869  22.869
  179    H    ASP  23           H        ASP  23  -1.854  22.121  22.121
  180    HA   ASP  23           HA       ASP  23  -3.382  20.557  20.557
  181   1HB   ASP  23          2HB       ASP  23  -1.024  19.204  19.204
  182   2HB   ASP  23          1HB       ASP  23  -2.363  18.154  18.154
  183    H    LYS  24           H        LYS  24  -4.437  18.207  18.207
  184    HA   LYS  24           HA       LYS  24  -5.572  18.688  18.688
  185   1HB   LYS  24          2HB       LYS  24  -6.871  18.091  18.091
  186   2HB   LYS  24          1HB       LYS  24  -7.698  17.713  17.713
  187   1HG   LYS  24          2HG       LYS  24  -6.619  20.444  20.444
  188   2HG   LYS  24          1HG       LYS  24  -8.314  19.965  19.965
  189   1HD   LYS  24          2HD       LYS  24  -8.017  19.326  19.326
  190   2HD   LYS  24          1HD       LYS  24  -6.587  20.357  20.357
  191   1HE   LYS  24          2HE       LYS  24  -7.876  22.288  22.288
  192   2HE   LYS  24          1HE       LYS  24  -9.309  21.310  21.310
  193   1HZ   LYS  24          3HZ       LYS  24  -9.275  20.516  20.516
  194   2HZ   LYS  24          2HZ       LYS  24  -8.005  21.594  21.594
  195   3HZ   LYS  24          1HZ       LYS  24  -9.534  22.188  22.188
  196    H    HIS  25           H        HIS  25  -6.593  16.090  16.090
  197    HA   HIS  25           HA       HIS  25  -5.102  14.156  14.156
  198   1HB   HIS  25          2HB       HIS  25  -7.724  13.762  13.762
  199   2HB   HIS  25          1HB       HIS  25  -7.037  12.726  12.726
  200    HD1  HIS  25           HD1      HIS  25  -9.842  14.334  14.334
  201    HD2  HIS  25           HD2      HIS  25  -6.286  15.368  15.368
  202    HE1  HIS  25           HE1      HIS  25 -10.484  15.805  15.805
  203    H    LYS  26           H        LYS  26  -3.651  14.997  14.997
  204    HA   LYS  26           HA       LYS  26  -3.519  12.632  12.632
  205   1HB   LYS  26          2HB       LYS  26  -5.094  14.479  14.479
  206   2HB   LYS  26          1HB       LYS  26  -3.607  15.383  15.383
  207   1HG   LYS  26          2HG       LYS  26  -3.836  12.521  12.521
  208   2HG   LYS  26          1HG       LYS  26  -4.533  13.822  13.822
  209   1HD   LYS  26          2HD       LYS  26  -1.848  14.483  14.483
  210   2HD   LYS  26          1HD       LYS  26  -1.869  13.003  13.003
  211   1HE   LYS  26          2HE       LYS  26  -1.800  14.464  14.464
  212   2HE   LYS  26          1HE       LYS  26  -3.541  14.618  14.618
  213   1HZ   LYS  26          1HZ       LYS  26  -1.439  16.245  16.245
  214   2HZ   LYS  26          3HZ       LYS  26  -2.377  16.782  16.782
  215   3HZ   LYS  26          2HZ       LYS  26  -3.119  16.422  16.422
  216    H    LEU  27           H        LEU  27  -1.385  12.574  12.574
  217    HA   LEU  27           HA       LEU  27   0.581  14.460  14.460
  218   1HB   LEU  27          2HB       LEU  27   0.590  11.483  11.483
  219   2HB   LEU  27          1HB       LEU  27   2.109  12.363  12.363
  220    HG   LEU  27           HG       LEU  27   0.349  13.308  13.308
  221   1HD1  LEU  27          3HD1      LEU  27  -0.664  10.949  10.949
  222   2HD1  LEU  27          2HD1      LEU  27   0.758  10.342  10.342
  223   3HD1  LEU  27          1HD1      LEU  27  -0.385  11.392  11.392
  224   1HD2  LEU  27          3HD2      LEU  27   3.024  12.549  12.549
  225   2HD2  LEU  27          2HD2      LEU  27   2.313  13.202  13.202
  226   3HD2  LEU  27          1HD2      LEU  27   2.419  11.457  11.457
  227    H    LYS  28           H        LYS  28   2.214  15.237  15.237
  228    HA   LYS  28           HA       LYS  28   1.853  14.779  14.779
  229   1HB   LYS  28          2HB       LYS  28   3.367  16.921  16.921
  230   2HB   LYS  28          1HB       LYS  28   2.924  16.958  16.958
  231   1HG   LYS  28          2HG       LYS  28   0.476  16.624  16.624
  232   2HG   LYS  28          1HG       LYS  28   1.201  17.353  17.353
  233   1HD   LYS  28          2HD       LYS  28   1.384  18.559  18.559
  234   2HD   LYS  28          1HD       LYS  28   0.169  19.022  19.022
  235   1HE   LYS  28          2HE       LYS  28   1.779  19.962  19.962
  236   2HE   LYS  28          1HE       LYS  28   3.116  19.093  19.093
  237   1HZ   LYS  28          1HZ       LYS  28   2.487  20.310  20.310
  238   2HZ   LYS  28          3HZ       LYS  28   1.482  21.293  21.293
  239   3HZ   LYS  28          2HZ       LYS  28   3.160  21.280  21.280
  240    H    LYS  29           H        LYS  29   3.888  14.633  14.633
  241    HA   LYS  29           HA       LYS  29   5.669  12.634  12.634
  242   1HB   LYS  29          2HB       LYS  29   5.882  15.126  15.126
  243   2HB   LYS  29          1HB       LYS  29   7.257  14.028  14.028
  244   1HG   LYS  29          2HG       LYS  29   6.075  12.237  12.237
  245   2HG   LYS  29          1HG       LYS  29   4.509  12.988  12.988
  246   1HD   LYS  29          2HD       LYS  29   5.154  13.137  13.137
  247   2HD   LYS  29          1HD       LYS  29   4.993  14.731  14.731
  248   1HE   LYS  29          2HE       LYS  29   7.674  13.960  13.960
  249   2HE   LYS  29          1HE       LYS  29   7.328  13.559  13.559
  250   1HZ   LYS  29          1HZ       LYS  29   6.060  15.862  15.862
  251   2HZ   LYS  29          3HZ       LYS  29   7.262  16.152  16.152
  252   3HZ   LYS  29          2HZ       LYS  29   7.699  15.768  15.768
  253    H    SER  30           H        SER  30   5.660  15.954  15.954
  254    HA   SER  30           HA       SER  30   8.368  15.894  15.894
  255   1HB   SER  30          2HB       SER  30   6.004  17.689  17.689
  256   2HB   SER  30          1HB       SER  30   7.085  17.924  17.924
  257    HG   SER  30           HG       SER  30   7.408  18.750  18.750
  258    H    GLU  31           H        GLU  31   5.109  15.936  15.936
  259    HA   GLU  31           HA       GLU  31   5.985  15.410  15.410
  260   1HB   GLU  31          2HB       GLU  31   3.469  14.969  14.969
  261   2HB   GLU  31          1HB       GLU  31   3.570  14.356  14.356
  262   1HG   GLU  31          2HG       GLU  31   3.866  16.519  16.519
  263   2HG   GLU  31          1HG       GLU  31   4.306  17.210  17.210
  264    H    LEU  32           H        LEU  32   4.930  13.174  13.174
  265    HA   LEU  32           HA       LEU  32   5.159  10.720  10.720
  266   1HB   LEU  32          2HB       LEU  32   5.125  11.767  11.767
  267   2HB   LEU  32          1HB       LEU  32   6.350  10.501  10.501
  268    HG   LEU  32           HG       LEU  32   3.397  10.289  10.289
  269   1HD1  LEU  32          1HD1      LEU  32   4.657   9.870   9.870
  270   2HD1  LEU  32          3HD1      LEU  32   5.016   8.316   8.316
  271   3HD1  LEU  32          2HD1      LEU  32   3.342   8.818   8.818
  272   1HD2  LEU  32          1HD2      LEU  32   5.686   8.580   8.580
  273   2HD2  LEU  32          3HD2      LEU  32   4.253   9.104   9.104
  274   3HD2  LEU  32          2HD2      LEU  32   4.120   7.845   7.845
  275    H    LYS  33           H        LYS  33   7.742  12.635  12.635
  276    HA   LYS  33           HA       LYS  33   9.942  10.939  10.939
  277   1HB   LYS  33          2HB       LYS  33   9.428  13.590  13.590
  278   2HB   LYS  33          1HB       LYS  33  10.521  13.730  13.730
  279   1HG   LYS  33          2HG       LYS  33  10.966  12.183  12.183
  280   2HG   LYS  33          1HG       LYS  33  11.917  13.530  13.530
  281   1HD   LYS  33          2HD       LYS  33  13.249  12.052  12.052
  282   2HD   LYS  33          1HD       LYS  33  11.872  11.565  11.565
  283   1HE   LYS  33          2HE       LYS  33  12.360   9.518   9.518
  284   2HE   LYS  33          1HE       LYS  33  11.283  10.174  10.174
  285   1HZ   LYS  33          3HZ       LYS  33  14.092  10.981  10.981
  286   2HZ   LYS  33          2HZ       LYS  33  13.730   9.396   9.396
  287   3HZ   LYS  33          1HZ       LYS  33  13.011  10.719  10.719
  288    H    GLU  34           H        GLU  34   8.709  13.486  13.486
  289    HA   GLU  34           HA       GLU  34  10.389  13.084  13.084
  290   1HB   GLU  34          2HB       GLU  34   7.762  14.138  14.138
  291   2HB   GLU  34          1HB       GLU  34   7.714  13.267  13.267
  292   1HG   GLU  34          2HG       GLU  34   8.758  14.978  14.978
  293   2HG   GLU  34          1HG       GLU  34  10.130  14.796  14.796
  294    H    LEU  35           H        LEU  35   7.246  11.516  11.516
  295    HA   LEU  35           HA       LEU  35   7.077   9.622   9.622
  296   1HB   LEU  35          2HB       LEU  35   5.878  10.161  10.161
  297   2HB   LEU  35          1HB       LEU  35   6.692   8.658   8.658
  298    HG   LEU  35           HG       LEU  35   5.432   8.488   8.488
  299   1HD1  LEU  35          2HD1      LEU  35   3.876  10.122  10.122
  300   2HD1  LEU  35          1HD1      LEU  35   3.612   8.916   8.916
  301   3HD1  LEU  35          3HD1      LEU  35   3.112   8.581   8.581
  302   1HD2  LEU  35          3HD2      LEU  35   6.241   6.787   6.787
  303   2HD2  LEU  35          2HD2      LEU  35   5.087   6.352   6.352
  304   3HD2  LEU  35          1HD2      LEU  35   4.508   6.850   6.850
  305    H    ILE  36           H        ILE  36   9.003   9.134   9.134
  306    HA   ILE  36           HA       ILE  36  10.036   6.588   6.588
  307    HB   ILE  36           HB       ILE  36  10.204   8.219   8.219
  308   1HG1  ILE  36          2HG1      ILE  36   9.163   6.288   6.288
  309   2HG1  ILE  36          1HG1      ILE  36   9.528   5.302   5.302
  310   1HG2  ILE  36          1HG2      ILE  36  12.498   7.397   7.397
  311   2HG2  ILE  36          3HG2      ILE  36  11.870   5.763   5.763
  312   3HG2  ILE  36          2HG2      ILE  36  11.744   6.555   6.555
  313   1HD1  ILE  36          3HD1      ILE  36   7.699   7.717   7.717
  314   2HD1  ILE  36          2HD1      ILE  36   7.159   6.037   6.037
  315   3HD1  ILE  36          1HD1      ILE  36   8.034   6.676   6.676
  316    H    ASN  37           H        ASN  37  11.158   9.928   9.928
  317    HA   ASN  37           HA       ASN  37  13.954   9.138   9.138
  318   1HB   ASN  37          2HB       ASN  37  14.437  11.268  11.268
  319   2HB   ASN  37          1HB       ASN  37  12.843  11.102  11.102
  320   1HD2  ASN  37          2HD2      ASN  37  13.115  14.304  14.304
  321   2HD2  ASN  37          1HD2      ASN  37  14.131  13.628  13.628
  322    H    ASN  38           H        ASN  38  11.155   9.907   9.907
  323    HA   ASN  38           HA       ASN  38  12.489  11.116  11.116
  324   1HB   ASN  38          2HB       ASN  38   9.787   9.991   9.991
  325   2HB   ASN  38          1HB       ASN  38  10.165  10.370  10.370
  326   1HD2  ASN  38          2HD2      ASN  38   8.820  13.391  13.391
  327   2HD2  ASN  38          1HD2      ASN  38   8.308  11.773  11.773
  328    H    GLU  39           H        GLU  39  11.420   7.823   7.823
  329    HA   GLU  39           HA       GLU  39  12.838   6.829   6.829
  330   1HB   GLU  39          2HB       GLU  39  10.431   6.538   6.538
  331   2HB   GLU  39          1HB       GLU  39  10.429   5.818   5.818
  332   1HG   GLU  39          2HG       GLU  39  10.318   4.125   4.125
  333   2HG   GLU  39          1HG       GLU  39  11.702   3.909   3.909
  334    H    LEU  40           H        LEU  40  11.953   5.943   5.943
  335    HA   LEU  40           HA       LEU  40  13.815   3.712   3.712
  336   1HB   LEU  40          2HB       LEU  40  12.784   5.194   5.194
  337   2HB   LEU  40          1HB       LEU  40  13.006   3.460   3.460
  338    HG   LEU  40           HG       LEU  40  10.794   5.218   5.218
  339   1HD1  LEU  40          1HD1      LEU  40  11.097   2.885   2.885
  340   2HD1  LEU  40          3HD1      LEU  40   9.639   2.945   2.945
  341   3HD1  LEU  40          2HD1      LEU  40  10.010   4.270   4.270
  342   1HD2  LEU  40          1HD2      LEU  40  12.066   2.938   2.938
  343   2HD2  LEU  40          3HD2      LEU  40  10.857   4.062   4.062
  344   3HD2  LEU  40          2HD2      LEU  40  10.353   2.657   2.657
  345    H    SER  41           H        SER  41  15.389   5.639   5.639
  346    HA   SER  41           HA       SER  41  16.685   7.487   7.487
  347   1HB   SER  41          2HB       SER  41  17.030   7.353   7.353
  348   2HB   SER  41          1HB       SER  41  17.702   5.732   5.732
  349    HG   SER  41           HG       SER  41  19.383   7.205   7.205
  350    H    HIS  42           H        HIS  42  17.414   4.008   4.008
  351    HA   HIS  42           HA       HIS  42  19.770   3.739   3.739
  352   1HB   HIS  42          2HB       HIS  42  17.262   2.037   2.037
  353   2HB   HIS  42          1HB       HIS  42  18.814   1.486   1.486
  354    HD1  HIS  42           HD1      HIS  42  20.406   0.503   0.503
  355    HD2  HIS  42           HD2      HIS  42  17.468   2.812   2.812
  356    HE1  HIS  42           HE1      HIS  42  20.748   0.234   0.234
  357    H    PHE  43           H        PHE  43  16.571   4.497   4.497
  358    HA   PHE  43           HA       PHE  43  17.359   4.084   4.084
  359   1HB   PHE  43          2HB       PHE  43  14.924   4.973   4.973
  360   2HB   PHE  43          1HB       PHE  43  15.008   5.233   5.233
  361    HD1  PHE  43           HD1      PHE  43  16.970   2.420   2.420
  362    HD2  PHE  43           HD2      PHE  43  12.863   3.619   3.619
  363    HE1  PHE  43           HE1      PHE  43  16.240   0.087   0.087
  364    HE2  PHE  43           HE2      PHE  43  12.143   1.285   1.285
  365    HZ   PHE  43           HZ       PHE  43  13.829  -0.482  -0.482
  366    H    LEU  44           H        LEU  44  17.511   6.628   6.628
  367    HA   LEU  44           HA       LEU  44  17.230   8.971   8.971
  368   1HB   LEU  44          2HB       LEU  44  17.983   8.379   8.379
  369   2HB   LEU  44          1HB       LEU  44  19.591   8.620   8.620
  370    HG   LEU  44           HG       LEU  44  18.634  10.825  10.825
  371   1HD1  LEU  44          2HD1      LEU  44  16.359   9.749   9.749
  372   2HD1  LEU  44          1HD1      LEU  44  16.816  11.315  11.315
  373   3HD1  LEU  44          3HD1      LEU  44  16.441  11.166  11.166
  374   1HD2  LEU  44          2HD2      LEU  44  20.151  10.366  10.366
  375   2HD2  LEU  44          1HD2      LEU  44  19.441  11.963  11.963
  376   3HD2  LEU  44          3HD2      LEU  44  18.706  10.826  10.826
  377    H    GLU  45           H        GLU  45  19.764   6.582   6.582
  378    HA   GLU  45           HA       GLU  45  21.493   7.958   7.958
  379   1HB   GLU  45          2HB       GLU  45  21.720   6.137   6.137
  380   2HB   GLU  45          1HB       GLU  45  22.185   5.237   5.237
  381   1HG   GLU  45          2HG       GLU  45  24.146   6.335   6.335
  382   2HG   GLU  45          1HG       GLU  45  23.324   7.895   7.895
  383    H    GLU  46           H        GLU  46  19.140   5.385   5.385
  384    HA   GLU  46           HA       GLU  46  18.129   4.011   4.011
  385   1HB   GLU  46          2HB       GLU  46  18.480   6.581   6.581
  386   2HB   GLU  46          1HB       GLU  46  19.213   5.618   5.618
  387   1HG   GLU  46          2HG       GLU  46  17.147   5.155   5.155
  388   2HG   GLU  46          1HG       GLU  46  16.823   4.286   4.286
  389    H    ILE  47           H        ILE  47  21.265   3.988   3.988
  390    HA   ILE  47           HA       ILE  47  22.292   2.654   2.654
  391    HB   ILE  47           HB       ILE  47  23.554   4.307   4.307
  392   1HG1  ILE  47          2HG1      ILE  47  25.619   3.067   3.067
  393   2HG1  ILE  47          1HG1      ILE  47  24.758   1.531   1.531
  394   1HG2  ILE  47          2HG2      ILE  47  22.483   2.708   2.708
  395   2HG2  ILE  47          1HG2      ILE  47  24.221   2.406   2.406
  396   3HG2  ILE  47          3HG2      ILE  47  23.610   4.054   4.054
  397   1HD1  ILE  47          1HD1      ILE  47  24.230   3.386   3.386
  398   2HD1  ILE  47          3HD1      ILE  47  25.635   2.318   2.318
  399   3HD1  ILE  47          2HD1      ILE  47  24.012   1.638   1.638
  400    H    LYS  48           H        LYS  48  20.883   1.861   1.861
  401    HA   LYS  48           HA       LYS  48  22.015  -0.736  -0.736
  402   1HB   LYS  48          2HB       LYS  48  19.552   0.783   0.783
  403   2HB   LYS  48          1HB       LYS  48  19.672  -0.932  -0.932
  404   1HG   LYS  48          2HG       LYS  48  20.611   0.168   0.168
  405   2HG   LYS  48          1HG       LYS  48  22.009  -0.360  -0.360
  406   1HD   LYS  48          2HD       LYS  48  22.641   1.767   1.767
  407   2HD   LYS  48          1HD       LYS  48  20.984   2.279   2.279
  408   1HE   LYS  48          2HE       LYS  48  21.248   3.452   3.452
  409   2HE   LYS  48          1HE       LYS  48  20.883   1.885   1.885
  410   1HZ   LYS  48          3HZ       LYS  48  23.241   1.349   1.349
  411   2HZ   LYS  48          2HZ       LYS  48  23.590   2.860   2.860
  412   3HZ   LYS  48          1HZ       LYS  48  22.977   2.770   2.770
  413    H    GLU  49           H        GLU  49  19.961   0.438   0.438
  414    HA   GLU  49           HA       GLU  49  19.488  -2.282  -2.282
  415   1HB   GLU  49          2HB       GLU  49  16.986  -1.759  -1.759
  416   2HB   GLU  49          1HB       GLU  49  17.667  -2.086  -2.086
  417   1HG   GLU  49          2HG       GLU  49  17.660   0.195   0.195
  418   2HG   GLU  49          1HG       GLU  49  17.489   0.729   0.729
  419    H    GLN  50           H        GLN  50  20.501  -1.687  -1.687
  420    HA   GLN  50           HA       GLN  50  20.026   0.804   0.804
  421   1HB   GLN  50          2HB       GLN  50  21.113  -1.893  -1.893
  422   2HB   GLN  50          1HB       GLN  50  21.245  -0.411  -0.411
  423   1HG   GLN  50          2HG       GLN  50  22.284   0.577   0.577
  424   2HG   GLN  50          1HG       GLN  50  22.576  -1.116  -1.116
  425   1HE2  GLN  50          2HE2      GLN  50  24.425   0.325   0.325
  426   2HE2  GLN  50          1HE2      GLN  50  22.870   0.885   0.885
  427    H    GLU  51           H        GLU  51  19.303  -2.440  -2.440
  428    HA   GLU  51           HA       GLU  51  17.480  -1.757  -1.757
  429   1HB   GLU  51          2HB       GLU  51  18.340  -4.026  -4.026
  430   2HB   GLU  51          1HB       GLU  51  17.291  -4.092  -4.092
  431   1HG   GLU  51          2HG       GLU  51  15.334  -3.663  -3.663
  432   2HG   GLU  51          1HG       GLU  51  16.451  -3.916  -3.916
  433    H    VAL  52           H        VAL  52  16.885  -1.802  -1.802
  434    HA   VAL  52           HA       VAL  52  13.988  -1.542  -1.542
  435    HB   VAL  52           HB       VAL  52  15.725  -0.820  -0.820
  436   1HG1  VAL  52          3HG1      VAL  52  13.041  -0.640  -0.640
  437   2HG1  VAL  52          2HG1      VAL  52  13.163  -2.313  -2.313
  438   3HG1  VAL  52          1HG1      VAL  52  13.793  -1.012  -1.012
  439   1HG2  VAL  52          2HG2      VAL  52  14.902  -3.544  -3.544
  440   2HG2  VAL  52          1HG2      VAL  52  16.535  -2.975  -2.975
  441   3HG2  VAL  52          3HG2      VAL  52  15.408  -3.273  -3.273
  442    H    VAL  53           H        VAL  53  16.752   0.629   0.629
  443    HA   VAL  53           HA       VAL  53  15.465   3.073   3.073
  444    HB   VAL  53           HB       VAL  53  17.844   2.304   2.304
  445   1HG1  VAL  53          3HG1      VAL  53  16.514   4.914   4.914
  446   2HG1  VAL  53          2HG1      VAL  53  18.249   4.934   4.934
  447   3HG1  VAL  53          1HG1      VAL  53  17.641   4.384   4.384
  448   1HG2  VAL  53          1HG2      VAL  53  17.407   2.506   2.506
  449   2HG2  VAL  53          3HG2      VAL  53  18.942   2.251   2.251
  450   3HG2  VAL  53          2HG2      VAL  53  18.405   3.887   3.887
  451    H    ASP  54           H        ASP  54  15.830   1.181   1.181
  452    HA   ASP  54           HA       ASP  54  14.615   3.075   3.075
  453   1HB   ASP  54          2HB       ASP  54  15.951   1.429   1.429
  454   2HB   ASP  54          1HB       ASP  54  15.364   0.166   0.166
  455    H    LYS  55           H        LYS  55  13.481   0.234   0.234
  456    HA   LYS  55           HA       LYS  55  10.717   0.466   0.466
  457   1HB   LYS  55          2HB       LYS  55  12.302  -1.029  -1.029
  458   2HB   LYS  55          1HB       LYS  55  10.540  -1.078  -1.078
  459   1HG   LYS  55          2HG       LYS  55  10.925  -2.870  -2.870
  460   2HG   LYS  55          1HG       LYS  55  10.822  -1.576  -1.576
  461   1HD   LYS  55          2HD       LYS  55  13.263  -1.350  -1.350
  462   2HD   LYS  55          1HD       LYS  55  13.391  -2.609  -2.609
  463   1HE   LYS  55          2HE       LYS  55  11.879  -3.282  -3.282
  464   2HE   LYS  55          1HE       LYS  55  13.650  -3.203  -3.203
  465   1HZ   LYS  55          1HZ       LYS  55  13.550  -4.510  -4.510
  466   2HZ   LYS  55          3HZ       LYS  55  11.969  -4.905  -4.905
  467   3HZ   LYS  55          2HZ       LYS  55  13.283  -5.351  -5.351
  468    H    VAL  56           H        VAL  56  12.090   0.871   0.871
  469    HA   VAL  56           HA       VAL  56  10.090   2.061   2.061
  470    HB   VAL  56           HB       VAL  56  13.019   2.790   2.790
  471   1HG1  VAL  56          1HG1      VAL  56  11.131   4.466   4.466
  472   2HG1  VAL  56          3HG1      VAL  56  11.696   3.506   3.506
  473   3HG1  VAL  56          2HG1      VAL  56  12.846   4.430   4.430
  474   1HG2  VAL  56          2HG2      VAL  56  11.609   0.622   0.622
  475   2HG2  VAL  56          1HG2      VAL  56  13.314   1.008   1.008
  476   3HG2  VAL  56          3HG2      VAL  56  12.114   1.617   1.617
  477    H    MET  57           H        MET  57  12.113   3.754   3.754
  478    HA   MET  57           HA       MET  57  10.676   6.285   6.285
  479   1HB   MET  57          2HB       MET  57  12.657   5.253   5.253
  480   2HB   MET  57          1HB       MET  57  12.160   6.938   6.938
  481   1HG   MET  57          2HG       MET  57  13.179   5.528   5.528
  482   2HG   MET  57          1HG       MET  57  14.349   6.027   6.027
  483   1HE   MET  57          2HE       MET  57  12.603   6.492   6.492
  484   2HE   MET  57          1HE       MET  57  13.005   8.110   8.110
  485   3HE   MET  57          3HE       MET  57  11.462   7.811   7.811
  486    H    GLU  58           H        GLU  58  10.613   3.574   3.574
  487    HA   GLU  58           HA       GLU  58   9.041   4.760   4.760
  488   1HB   GLU  58          2HB       GLU  58   8.836   2.569   2.569
  489   2HB   GLU  58          1HB       GLU  58  10.221   2.413   2.413
  490   1HG   GLU  58          2HG       GLU  58   8.947   0.646   0.646
  491   2HG   GLU  58          1HG       GLU  58   8.307   1.927   1.927
  492    H    THR  59           H        THR  59   8.085   3.460   3.460
  493    HA   THR  59           HA       THR  59   5.216   3.651   3.651
  494    HB   THR  59           HB       THR  59   6.941   2.886   2.886
  495    HG1  THR  59           HG1      THR  59   5.453   1.646   1.646
  496   1HG2  THR  59          1HG2      THR  59   4.914   4.163   4.163
  497   2HG2  THR  59          3HG2      THR  59   3.914   2.943   2.943
  498   3HG2  THR  59          2HG2      THR  59   4.969   2.486   2.486
  499    H    LEU  60           H        LEU  60   7.427   5.176   5.176
  500    HA   LEU  60           HA       LEU  60   5.728   7.077   7.077
  501   1HB   LEU  60          2HB       LEU  60   8.349   6.440   6.440
  502   2HB   LEU  60          1HB       LEU  60   8.463   7.943   7.943
  503    HG   LEU  60           HG       LEU  60   6.908   7.685   7.685
  504   1HD1  LEU  60          2HD1      LEU  60   9.575   7.385   7.385
  505   2HD1  LEU  60          1HD1      LEU  60   9.502   9.147   9.147
  506   3HD1  LEU  60          3HD1      LEU  60   8.774   8.276   8.276
  507   1HD2  LEU  60          3HD2      LEU  60   6.287   9.516   9.516
  508   2HD2  LEU  60          2HD2      LEU  60   6.952  10.129  10.129
  509   3HD2  LEU  60          1HD2      LEU  60   7.951  10.095  10.095
  510    H    ASP  61           H        ASP  61   7.402   7.222   7.222
  511    HA   ASP  61           HA       ASP  61   6.393   9.938   9.938
  512   1HB   ASP  61          2HB       ASP  61   8.645   8.565   8.565
  513   2HB   ASP  61          1HB       ASP  61   7.712   8.247   8.247
  514    H    SER  62           H        SER  62   5.811   6.602   6.602
  515    HA   SER  62           HA       SER  62   3.810   7.556   7.556
  516   1HB   SER  62          2HB       SER  62   4.009   5.418   5.418
  517   2HB   SER  62          1HB       SER  62   5.603   5.657   5.657
  518    HG   SER  62           HG       SER  62   5.176   3.977   3.977
  519    H    ASP  63           H        ASP  63   3.879   5.399   5.399
  520    HA   ASP  63           HA       ASP  63   1.515   4.335   4.335
  521   1HB   ASP  63          2HB       ASP  63   3.218   4.728   4.728
  522   2HB   ASP  63          1HB       ASP  63   2.767   6.434   6.434
  523    H    GLY  64           H        GLY  64   1.147   7.331   7.331
  524   1HA   GLY  64          2HA       GLY  64  -1.384   7.830   7.830
  525   2HA   GLY  64          1HA       GLY  64  -0.932   8.551   8.551
  526    H    ASP  65           H        ASP  65   1.850   8.730   8.730
  527    HA   ASP  65           HA       ASP  65   3.045  10.581  10.581
  528   1HB   ASP  65          2HB       ASP  65   2.469  10.959  10.959
  529   2HB   ASP  65          1HB       ASP  65   2.061   9.284   9.284
  530    H    GLY  66           H        GLY  66   2.805  12.246  12.246
  531   1HA   GLY  66          2HA       GLY  66   2.149  14.382  14.382
  532   2HA   GLY  66          1HA       GLY  66   1.274  14.553  14.553
  533    H    GLU  67           H        GLU  67   0.429  11.717  11.717
  534    HA   GLU  67           HA       GLU  67  -1.845  13.031  13.031
  535   1HB   GLU  67          2HB       GLU  67  -2.522  12.488  12.488
  536   2HB   GLU  67          1HB       GLU  67  -2.027  10.813  10.813
  537   1HG   GLU  67          2HG       GLU  67  -4.007  10.332  10.332
  538   2HG   GLU  67          1HG       GLU  67  -3.782  11.620  11.620
  539    H    CYS  68           H        CYS  68  -0.217  12.211  12.211
  540    HA   CYS  68           HA       CYS  68  -0.352   9.273   9.273
  541   1HB   CYS  68          2HB       CYS  68   1.005  11.387  11.387
  542   2HB   CYS  68          1HB       CYS  68   1.408   9.677   9.677
  543    HG   CYS  68           HG       CYS  68   2.781  11.617  11.617
  544    H    ASP  69           H        ASP  69  -2.794   9.573   9.573
  545    HA   ASP  69           HA       ASP  69  -3.515  10.828  10.828
  546   1HB   ASP  69          2HB       ASP  69  -4.742  10.367  10.367
  547   2HB   ASP  69          1HB       ASP  69  -5.544   9.255   9.255
  548    H    PHE  70           H        PHE  70  -5.218   9.455   9.455
  549    HA   PHE  70           HA       PHE  70  -4.297   7.760   7.760
  550   1HB   PHE  70          2HB       PHE  70  -6.803   7.614   7.614
  551   2HB   PHE  70          1HB       PHE  70  -6.534   6.492   6.492
  552    HD1  PHE  70           HD1      PHE  70  -4.807   9.590   9.590
  553    HD2  PHE  70           HD2      PHE  70  -8.645   7.720   7.720
  554    HE1  PHE  70           HE1      PHE  70  -5.443  11.337  11.337
  555    HE2  PHE  70           HE2      PHE  70  -9.282   9.480   9.480
  556    HZ   PHE  70           HZ       PHE  70  -7.668  11.284  11.284
  557    H    GLN  71           H        GLN  71  -5.927   5.897   5.897
  558    HA   GLN  71           HA       GLN  71  -4.426   3.523   3.523
  559   1HB   GLN  71          2HB       GLN  71  -5.595   2.726   2.726
  560   2HB   GLN  71          1HB       GLN  71  -6.671   3.875   3.875
  561   1HG   GLN  71          2HG       GLN  71  -6.816   4.818   4.818
  562   2HG   GLN  71          1HG       GLN  71  -5.261   5.538   5.538
  563   1HE2  GLN  71          2HE2      GLN  71  -4.250   4.019   4.019
  564   2HE2  GLN  71          1HE2      GLN  71  -4.771   5.475   5.475
  565    H    GLU  72           H        GLU  72  -3.471   6.365   6.365
  566    HA   GLU  72           HA       GLU  72  -1.620   5.044   5.044
  567   1HB   GLU  72          2HB       GLU  72  -1.557   7.937   7.937
  568   2HB   GLU  72          1HB       GLU  72  -1.219   7.241   7.241
  569   1HG   GLU  72          2HG       GLU  72  -3.805   6.421   6.421
  570   2HG   GLU  72          1HG       GLU  72  -3.783   8.023   8.023
  571    H    PHE  73           H        PHE  73  -1.357   6.802   6.802
  572    HA   PHE  73           HA       PHE  73   1.495   6.709   6.709
  573   1HB   PHE  73          2HB       PHE  73   0.519   8.131   8.131
  574   2HB   PHE  73          1HB       PHE  73  -0.816   7.028   7.028
  575    HD1  PHE  73           HD2      PHE  73   2.745   6.012   6.012
  576    HD2  PHE  73           HD1      PHE  73  -0.647   7.028   7.028
  577    HE1  PHE  73           HE2      PHE  73   3.894   5.123   5.123
  578    HE2  PHE  73           HE1      PHE  73   0.504   6.152   6.152
  579    HZ   PHE  73           HZ       PHE  73   2.779   5.191   5.191
  580    H    MET  74           H        MET  74  -0.955   4.579   4.579
  581    HA   MET  74           HA       MET  74   0.817   2.564   2.564
  582   1HB   MET  74          2HB       MET  74  -2.049   2.499   2.499
  583   2HB   MET  74          1HB       MET  74  -1.294   1.182   1.182
  584   1HG   MET  74          2HG       MET  74  -0.691   3.252   3.252
  585   2HG   MET  74          1HG       MET  74  -2.208   3.840   3.840
  586   1HE   MET  74          3HE       MET  74  -0.582   0.608   0.608
  587   2HE   MET  74          2HE       MET  74  -0.631   0.901   0.901
  588   3HE   MET  74          1HE       MET  74  -1.655  -0.347  -0.347
  589    H    ALA  75           H        ALA  75  -0.546   3.205   3.205
  590    HA   ALA  75           HA       ALA  75   0.016   0.685   0.685
  591   1HB   ALA  75          1HB       ALA  75  -0.479   3.534   3.534
  592   2HB   ALA  75          3HB       ALA  75   0.019   2.380   2.380
  593   3HB   ALA  75          2HB       ALA  75  -1.465   2.105   2.105
  594    H    PHE  76           H        PHE  76   1.761   3.789   3.789
  595    HA   PHE  76           HA       PHE  76   4.053   2.645   2.645
  596   1HB   PHE  76          2HB       PHE  76   3.584   4.923   4.923
  597   2HB   PHE  76          1HB       PHE  76   3.305   5.248   5.248
  598    HD1  PHE  76           HD1      PHE  76   6.021   4.103   4.103
  599    HD2  PHE  76           HD2      PHE  76   4.995   6.231   6.231
  600    HE1  PHE  76           HE1      PHE  76   8.380   4.832   4.832
  601    HE2  PHE  76           HE2      PHE  76   7.353   6.953   6.953
  602    HZ   PHE  76           HZ       PHE  76   9.045   6.255   6.255
  603    H    VAL  77           H        VAL  77   3.481   3.790   3.790
  604    HA   VAL  77           HA       VAL  77   6.034   3.252   3.252
  605    HB   VAL  77           HB       VAL  77   3.836   4.199   4.199
  606   1HG1  VAL  77          2HG1      VAL  77   2.537   2.097   2.097
  607   2HG1  VAL  77          1HG1      VAL  77   3.568   1.281   1.281
  608   3HG1  VAL  77          3HG1      VAL  77   2.527   2.608   2.608
  609   1HG2  VAL  77          2HG2      VAL  77   5.946   2.527   2.527
  610   2HG2  VAL  77          1HG2      VAL  77   5.685   4.270   4.270
  611   3HG2  VAL  77          3HG2      VAL  77   4.628   3.173   3.173
  612    H    ALA  78           H        ALA  78   3.357   1.097   1.097
  613    HA   ALA  78           HA       ALA  78   4.545  -1.322  -1.322
  614   1HB   ALA  78          1HB       ALA  78   2.120  -0.926  -0.926
  615   2HB   ALA  78          3HB       ALA  78   2.451  -0.870  -0.870
  616   3HB   ALA  78          2HB       ALA  78   2.703  -2.367  -2.367
  617    H    MET  79           H        MET  79   4.409   0.191   0.191
  618    HA   MET  79           HA       MET  79   5.759  -1.886  -1.886
  619   1HB   MET  79          2HB       MET  79   4.777   0.783   0.783
  620   2HB   MET  79          1HB       MET  79   6.426   0.720   0.720
  621   1HG   MET  79          2HG       MET  79   5.151   0.038   0.038
  622   2HG   MET  79          1HG       MET  79   5.653  -1.496  -1.496
  623   1HE   MET  79          2HE       MET  79   3.179   0.332   0.332
  624   2HE   MET  79          1HE       MET  79   1.586  -0.022  -0.022
  625   3HE   MET  79          3HE       MET  79   2.630   1.172   1.172
  626    H    ILE  80           H        ILE  80   6.904   0.847   0.847
  627    HA   ILE  80           HA       ILE  80   9.743   0.345   0.345
  628    HB   ILE  80           HB       ILE  80   8.516   2.025   2.025
  629   1HG1  ILE  80          2HG1      ILE  80   7.492   2.409   2.409
  630   2HG1  ILE  80          1HG1      ILE  80   8.232   3.815   3.815
  631   1HG2  ILE  80          3HG2      ILE  80  11.177   1.602   1.602
  632   2HG2  ILE  80          2HG2      ILE  80  10.705   3.292   3.292
  633   3HG2  ILE  80          1HG2      ILE  80  10.678   2.542   2.542
  634   1HD1  ILE  80          1HD1      ILE  80  10.199   2.313   2.313
  635   2HD1  ILE  80          3HD1      ILE  80   8.833   2.757   2.757
  636   3HD1  ILE  80          2HD1      ILE  80   9.728   4.006   4.006
  637    H    THR  81           H        THR  81   7.939   0.494   0.494
  638    HA   THR  81           HA       THR  81   9.586  -0.611  -0.611
  639    HB   THR  81           HB       THR  81   6.673  -1.125  -1.125
  640    HG1  THR  81           HG1      THR  81   7.538   0.958   0.958
  641   1HG2  THR  81          1HG2      THR  81   8.425  -2.412  -2.412
  642   2HG2  THR  81          3HG2      THR  81   6.937  -1.725  -1.725
  643   3HG2  THR  81          2HG2      THR  81   6.860  -2.932  -2.932
  644    H    THR  82           H        THR  82   8.068  -2.446  -2.446
  645    HA   THR  82           HA       THR  82   8.769  -5.041  -5.041
  646    HB   THR  82           HB       THR  82   8.721  -5.279  -5.279
  647    HG1  THR  82           HG1      THR  82   6.765  -3.800  -3.800
  648   1HG2  THR  82          3HG2      THR  82   7.377  -6.549  -6.549
  649   2HG2  THR  82          2HG2      THR  82   6.329  -5.140  -5.140
  650   3HG2  THR  82          1HG2      THR  82   6.402  -5.993  -5.993
  651    H    ALA  83           H        ALA  83  10.455  -2.736  -2.736
  652    HA   ALA  83           HA       ALA  83  12.783  -4.549  -4.549
  653   1HB   ALA  83          1HB       ALA  83  12.067  -1.809  -1.809
  654   2HB   ALA  83          3HB       ALA  83  13.586  -2.627  -2.627
  655   3HB   ALA  83          2HB       ALA  83  12.055  -3.334  -3.334
  656    H    CYS  84           H        CYS  84  11.889  -3.030  -3.030
  657    HA   CYS  84           HA       CYS  84  14.169  -1.224  -1.224
  658   1HB   CYS  84          2HB       CYS  84  13.005  -0.670  -0.670
  659   2HB   CYS  84          1HB       CYS  84  11.738  -0.990  -0.990
  660    HG   CYS  84           HG       CYS  84  12.103  -2.519  -2.519
  661    H    HIS  85           H        HIS  85  14.466  -4.302  -4.302
  662    HA   HIS  85           HA       HIS  85  16.016  -5.875  -5.875
  663   1HB   HIS  85          2HB       HIS  85  16.889  -3.296  -3.296
  664   2HB   HIS  85          1HB       HIS  85  17.040  -4.252  -4.252
  665    HD1  HIS  85           HD1      HIS  85  18.673  -3.630  -3.630
  666    HD2  HIS  85           HD2      HIS  85  18.583  -6.758  -6.758
  667    HE1  HIS  85           HE1      HIS  85  20.649  -5.118  -5.118
  668    H    GLU  86           H        GLU  86  13.850  -6.806  -6.806
  669    HA   GLU  86           HA       GLU  86  14.168  -7.486  -7.486
  670   1HB   GLU  86          2HB       GLU  86  11.897  -5.826  -5.826
  671   2HB   GLU  86          1HB       GLU  86  11.700  -6.770  -6.770
  672   1HG   GLU  86          2HG       GLU  86  13.674  -4.528  -4.528
  673   2HG   GLU  86          1HG       GLU  86  12.346  -4.551  -4.551
  674    H    PHE  87           H        PHE  87  11.507  -8.622  -8.622
  675    HA   PHE  87           HA       PHE  87  11.741 -11.145 -11.145
  676   1HB   PHE  87          2HB       PHE  87   9.971 -11.069 -11.069
  677   2HB   PHE  87          1HB       PHE  87   9.517  -9.435  -9.435
  678    HD1  PHE  87           HD1      PHE  87   9.290 -13.013 -13.013
  679    HD2  PHE  87           HD2      PHE  87   7.918  -9.018  -9.018
  680    HE1  PHE  87           HE1      PHE  87   7.566 -13.904 -13.904
  681    HE2  PHE  87           HE2      PHE  87   6.221  -9.895  -9.895
  682    HZ   PHE  87           HZ       PHE  87   6.032 -12.356 -12.356
  683    H    PHE  88           H        PHE  88   9.947  -8.320  -8.320
  684    HA   PHE  88           HA       PHE  88   8.886  -9.149  -9.149
  685   1HB   PHE  88          2HB       PHE  88  10.346  -6.621  -6.621
  686   2HB   PHE  88          1HB       PHE  88   9.454  -6.774  -6.774
  687    HD1  PHE  88           HD1      PHE  88   7.257  -8.629  -8.629
  688    HD2  PHE  88           HD2      PHE  88   8.934  -4.982  -4.982
  689    HE1  PHE  88           HE1      PHE  88   5.158  -8.169  -8.169
  690    HE2  PHE  88           HE2      PHE  88   6.812  -4.515  -4.515
  691    HZ   PHE  88           HZ       PHE  88   4.917  -6.107  -6.107
  692    H    GLU  89           H        GLU  89  11.632  -7.151  -7.151
  693    HA   GLU  89           HA       GLU  89  13.450  -7.495  -7.495
  694   1HB   GLU  89          2HB       GLU  89  13.150  -9.791  -9.791
  695   2HB   GLU  89          1HB       GLU  89  13.771 -10.300 -10.300
  696   1HG   GLU  89          2HG       GLU  89  14.970  -7.856  -7.856
  697   2HG   GLU  89          1HG       GLU  89  15.400  -9.414  -9.414
  698    H    HIS  90           H        HIS  90  10.443  -8.192  -8.192
  699    HA   HIS  90           HA       HIS  90  10.964  -8.922  -8.922
  700   1HB   HIS  90          2HB       HIS  90  10.097 -10.864 -10.864
  701   2HB   HIS  90          1HB       HIS  90   9.240 -10.945 -10.945
  702    HD1  HIS  90           HD1      HIS  90  12.078 -12.361 -12.361
  703    HD2  HIS  90           HD2      HIS  90  11.383 -10.853 -10.853
  704    HE1  HIS  90           HE1      HIS  90  13.877 -13.336 -13.336
  705    H    GLU  91           H        GLU  91   9.788  -6.822  -6.822
  706    HA   GLU  91           HA       GLU  91   7.210  -6.296  -6.296
  707   1HB   GLU  91          2HB       GLU  91   7.101  -4.765  -4.765
  708   2HB   GLU  91          1HB       GLU  91   8.564  -4.600  -4.600
  709   1HG   GLU  91          2HG       GLU  91   8.928  -6.678  -6.678
  710   2HG   GLU  91          1HG       GLU  91   8.406  -5.188  -5.188
  711   1H    MET   0          1H        MET   0   6.814  10.314  10.314
  712   2H    MET   0          3H        MET   0   7.452  11.464  11.464
  713   3H    MET   0          2H        MET   0   6.021  11.801  11.801
  714    HA   MET   0           HA       MET   0   4.751  10.324  10.324
  715   1HB   MET   0          2HB       MET   0   5.098  11.261  11.261
  716   2HB   MET   0          1HB       MET   0   5.650  12.480  12.480
  717   1HG   MET   0          2HG       MET   0   7.891  10.855  10.855
  718   2HG   MET   0          1HG       MET   0   7.166  11.062  11.062
  719   1HE   MET   0          2HE       MET   0   9.122  11.982  11.982
  720   2HE   MET   0          1HE       MET   0  10.025  13.362  13.362
  721   3HE   MET   0          3HE       MET   0   8.696  13.609  13.609
  722    H    SER   1           H        SER   1   8.153   9.595   9.595
  723    HA   SER   1           HA       SER   1   8.276   7.528   7.528
  724   1HB   SER   1          2HB       SER   1   9.742   8.132   8.132
  725   2HB   SER   1          1HB       SER   1  10.207   6.788   6.788
  726    HG   SER   1           HG       SER   1  10.100   9.552   9.552
  727    H    GLU   2           H        GLU   2   6.620   7.661   7.661
  728    HA   GLU   2           HA       GLU   2   6.677   5.172   5.172
  729   1HB   GLU   2          2HB       GLU   2   4.337   6.931   6.931
  730   2HB   GLU   2          1HB       GLU   2   4.184   5.572   5.572
  731   1HG   GLU   2          2HG       GLU   2   6.173   7.818   7.818
  732   2HG   GLU   2          1HG       GLU   2   4.554   7.828   7.828
  733    H    LEU   3           H        LEU   3   4.459   5.953   5.953
  734    HA   LEU   3           HA       LEU   3   3.615   3.293   3.293
  735   1HB   LEU   3          2HB       LEU   3   2.244   4.841   4.841
  736   2HB   LEU   3          1HB       LEU   3   3.550   5.989   5.989
  737    HG   LEU   3           HG       LEU   3   2.444   5.096   5.096
  738   1HD1  LEU   3          1HD1      LEU   3   5.107   5.737   5.737
  739   2HD1  LEU   3          3HD1      LEU   3   5.194   4.302   4.302
  740   3HD1  LEU   3          2HD1      LEU   3   4.345   5.740   5.740
  741   1HD2  LEU   3          2HD2      LEU   3   3.086   2.615   2.615
  742   2HD2  LEU   3          1HD2      LEU   3   2.312   2.874   2.874
  743   3HD2  LEU   3          3HD2      LEU   3   4.067   2.741   2.741
  744    H    GLU   4           H        GLU   4   6.325   5.177   5.177
  745    HA   GLU   4           HA       GLU   4   7.076   3.357   3.357
  746   1HB   GLU   4          2HB       GLU   4   8.638   5.208   5.208
  747   2HB   GLU   4          1HB       GLU   4   9.368   4.361   4.361
  748   1HG   GLU   4          2HG       GLU   4   6.908   6.099   6.099
  749   2HG   GLU   4          1HG       GLU   4   8.546   6.720   6.720
  750    H    LYS   5           H        LYS   5   8.274   3.520   3.520
  751    HA   LYS   5           HA       LYS   5   9.837   1.147   1.147
  752   1HB   LYS   5          2HB       LYS   5   8.132   2.322   2.322
  753   2HB   LYS   5          1HB       LYS   5   9.496   1.224   1.224
  754   1HG   LYS   5          2HG       LYS   5  10.286   3.460   3.460
  755   2HG   LYS   5          1HG       LYS   5   9.592   4.042   4.042
  756   1HD   LYS   5          2HD       LYS   5  11.090   2.356   2.356
  757   2HD   LYS   5          1HD       LYS   5  11.913   2.137   2.137
  758   1HE   LYS   5          2HE       LYS   5  13.165   3.966   3.966
  759   2HE   LYS   5          1HE       LYS   5  11.684   4.945   4.945
  760   1HZ   LYS   5          2HZ       LYS   5  11.306   3.868   3.868
  761   2HZ   LYS   5          1HZ       LYS   5  12.995   3.684   3.684
  762   3HZ   LYS   5          3HZ       LYS   5  12.310   5.230   5.230
  763    H    ALA   6           H        ALA   6   6.379   1.694   1.694
  764    HA   ALA   6           HA       ALA   6   5.604  -0.990  -0.990
  765   1HB   ALA   6          3HB       ALA   6   4.376   1.442   1.442
  766   2HB   ALA   6          2HB       ALA   6   3.881   0.583   0.583
  767   3HB   ALA   6          1HB       ALA   6   3.505  -0.086  -0.086
  768    H    VAL   7           H        VAL   7   6.170   0.736   0.736
  769    HA   VAL   7           HA       VAL   7   5.480  -1.262  -1.262
  770    HB   VAL   7           HB       VAL   7   6.858   1.250   1.250
  771   1HG1  VAL   7          2HG1      VAL   7   8.326  -0.895  -0.895
  772   2HG1  VAL   7          1HG1      VAL   7   8.409   0.794   0.794
  773   3HG1  VAL   7          3HG1      VAL   7   8.975   0.321   0.321
  774   1HG2  VAL   7          2HG2      VAL   7   5.746  -0.328  -0.328
  775   2HG2  VAL   7          1HG2      VAL   7   4.890   0.869   0.869
  776   3HG2  VAL   7          3HG2      VAL   7   6.216   1.369   1.369
  777    H    VAL   8           H        VAL   8   8.633  -0.609  -0.609
  778    HA   VAL   8           HA       VAL   8  10.073  -2.849  -2.849
  779    HB   VAL   8           HB       VAL   8  10.173  -1.537  -1.537
  780   1HG1  VAL   8          3HG1      VAL   8  12.222  -3.065  -3.065
  781   2HG1  VAL   8          2HG1      VAL   8  12.601  -2.160  -2.160
  782   3HG1  VAL   8          1HG1      VAL   8  11.521  -3.553  -3.553
  783   1HG2  VAL   8          2HG2      VAL   8  11.045  -0.661  -0.661
  784   2HG2  VAL   8          1HG2      VAL   8  10.479   0.305   0.305
  785   3HG2  VAL   8          3HG2      VAL   8  12.130  -0.316  -0.316
  786    H    ALA   9           H        ALA   9   7.563  -2.535  -2.535
  787    HA   ALA   9           HA       ALA   9   7.943  -5.193  -5.193
  788   1HB   ALA   9          1HB       ALA   9   6.791  -2.823  -2.823
  789   2HB   ALA   9          3HB       ALA   9   5.372  -3.752  -3.752
  790   3HB   ALA   9          2HB       ALA   9   6.451  -4.375  -4.375
  791    H    LEU  10           H        LEU  10   5.970  -3.640  -3.640
  792    HA   LEU  10           HA       LEU  10   4.017  -5.653  -5.653
  793   1HB   LEU  10          2HB       LEU  10   5.477  -3.973  -3.973
  794   2HB   LEU  10          1HB       LEU  10   3.886  -4.710  -4.710
  795    HG   LEU  10           HG       LEU  10   4.658  -2.528  -2.528
  796   1HD1  LEU  10          1HD1      LEU  10   4.033  -2.186  -2.186
  797   2HD1  LEU  10          3HD1      LEU  10   2.394  -2.361  -2.361
  798   3HD1  LEU  10          2HD1      LEU  10   3.439  -1.080  -1.080
  799   1HD2  LEU  10          3HD2      LEU  10   3.108  -4.204  -4.204
  800   2HD2  LEU  10          2HD2      LEU  10   2.367  -2.617  -2.617
  801   3HD2  LEU  10          1HD2      LEU  10   1.985  -3.916  -3.916
  802    H    ILE  11           H        ILE  11   7.408  -5.430  -5.430
  803    HA   ILE  11           HA       ILE  11   7.448  -7.673  -7.673
  804    HB   ILE  11           HB       ILE  11   9.820  -7.644  -7.644
  805   1HG1  ILE  11          2HG1      ILE  11  10.554  -6.207  -6.207
  806   2HG1  ILE  11          1HG1      ILE  11   8.975  -6.698  -6.698
  807   1HG2  ILE  11          3HG2      ILE  11   8.347  -5.177  -5.177
  808   2HG2  ILE  11          2HG2      ILE  11   9.835  -4.905  -4.905
  809   3HG2  ILE  11          1HG2      ILE  11   9.900  -5.595  -5.595
  810   1HD1  ILE  11          1HD1      ILE  11   9.804  -9.088  -9.088
  811   2HD1  ILE  11          3HD1      ILE  11  11.383  -8.360  -8.360
  812   3HD1  ILE  11          2HD1      ILE  11  10.220  -8.482  -8.482
  813    H    ASP  12           H        ASP  12   7.362  -7.367  -7.367
  814    HA   ASP  12           HA       ASP  12   7.766 -10.211 -10.211
  815   1HB   ASP  12          2HB       ASP  12   7.561  -7.614  -7.614
  816   2HB   ASP  12          1HB       ASP  12   6.636  -8.857  -8.857
  817    H    VAL  13           H        VAL  13   5.102  -7.875  -7.875
  818    HA   VAL  13           HA       VAL  13   2.971  -9.559  -9.559
  819    HB   VAL  13           HB       VAL  13   2.968  -7.315  -7.315
  820   1HG1  VAL  13          3HG1      VAL  13   0.935  -8.901  -8.901
  821   2HG1  VAL  13          2HG1      VAL  13   0.761  -7.191  -7.191
  822   3HG1  VAL  13          1HG1      VAL  13   0.748  -7.711  -7.711
  823   1HG2  VAL  13          2HG2      VAL  13   4.039  -7.171  -7.171
  824   2HG2  VAL  13          1HG2      VAL  13   3.295  -5.808  -5.808
  825   3HG2  VAL  13          3HG2      VAL  13   2.357  -6.758  -6.758
  826    H    PHE  14           H        PHE  14   4.139  -8.851  -8.851
  827    HA   PHE  14           HA       PHE  14   2.401 -10.620 -10.620
  828   1HB   PHE  14          2HB       PHE  14   4.821  -9.111  -9.111
  829   2HB   PHE  14          1HB       PHE  14   4.978 -10.744 -10.744
  830    HD1  PHE  14           HD2      PHE  14   3.156 -11.714 -11.714
  831    HD2  PHE  14           HD1      PHE  14   3.316  -7.553  -7.553
  832    HE1  PHE  14           HE2      PHE  14   1.563 -11.221 -11.221
  833    HE2  PHE  14           HE1      PHE  14   1.726  -7.051  -7.051
  834    HZ   PHE  14           HZ       PHE  14   0.841  -8.885  -8.885
  835    H    HIS  15           H        HIS  15   5.607 -11.195 -11.195
  836    HA   HIS  15           HA       HIS  15   6.200 -13.803 -13.803
  837   1HB   HIS  15          2HB       HIS  15   7.312 -12.236 -12.236
  838   2HB   HIS  15          1HB       HIS  15   6.129 -12.815 -12.815
  839    HD1  HIS  15           HD1      HIS  15   9.421 -13.557 -13.557
  840    HD2  HIS  15           HD2      HIS  15   6.203 -15.867 -15.867
  841    HE1  HIS  15           HE1      HIS  15  10.361 -15.839 -15.839
  842    H    GLN  16           H        GLN  16   4.086 -12.990 -12.990
  843    HA   GLN  16           HA       GLN  16   3.059 -15.681 -15.681
  844   1HB   GLN  16          2HB       GLN  16   2.826 -13.109 -13.109
  845   2HB   GLN  16          1HB       GLN  16   1.191 -13.649 -13.649
  846   1HG   GLN  16          2HG       GLN  16   2.284 -15.945 -15.945
  847   2HG   GLN  16          1HG       GLN  16   3.087 -14.712 -14.712
  848   1HE2  GLN  16          2HE2      GLN  16  -0.995 -15.124 -15.124
  849   2HE2  GLN  16          1HE2      GLN  16  -0.193 -15.729 -15.729
  850    H    TYR  17           H        TYR  17   1.289 -12.787 -12.787
  851    HA   TYR  17           HA       TYR  17  -0.987 -13.736 -13.736
  852   1HB   TYR  17          2HB       TYR  17   0.938 -11.540 -11.540
  853   2HB   TYR  17          1HB       TYR  17  -0.557 -11.729 -11.729
  854    HD1  TYR  17           HD2      TYR  17  -1.976 -12.931 -12.931
  855    HD2  TYR  17           HD1      TYR  17   0.123  -9.309  -9.309
  856    HE1  TYR  17           HE2      TYR  17  -3.239 -11.748 -11.748
  857    HE2  TYR  17           HE1      TYR  17  -1.156  -8.112  -8.112
  858    HH   TYR  17           HH       TYR  17  -2.806  -8.240  -8.240
  859    H    SER  18           H        SER  18   2.051 -13.460 -13.460
  860    HA   SER  18           HA       SER  18   0.801 -15.059 -15.059
  861   1HB   SER  18          2HB       SER  18   3.208 -13.357 -13.357
  862   2HB   SER  18          1HB       SER  18   3.326 -14.619 -14.619
  863    HG   SER  18           HG       SER  18   1.026 -13.028 -13.028
  864    H    GLY  19           H        GLY  19   2.789 -15.587 -15.587
  865   1HA   GLY  19          2HA       GLY  19   3.216 -18.391 -18.391
  866   2HA   GLY  19          1HA       GLY  19   4.619 -17.469 -17.469
  867    H    ARG  20           H        ARG  20   1.269 -17.875 -17.875
  868    HA   ARG  20           HA       ARG  20   2.412 -18.191 -18.191
  869   1HB   ARG  20          2HB       ARG  20  -0.023 -17.738 -17.738
  870   2HB   ARG  20          1HB       ARG  20   0.797 -16.414 -16.414
  871   1HG   ARG  20          2HG       ARG  20  -0.511 -16.608 -16.608
  872   2HG   ARG  20          1HG       ARG  20  -0.488 -18.370 -18.370
  873   1HD   ARG  20          2HD       ARG  20  -1.994 -17.897 -17.897
  874   2HD   ARG  20          1HD       ARG  20  -2.424 -16.473 -16.473
  875    HE   ARG  20           HE       ARG  20  -2.637 -18.359 -18.359
  876   1HH1  ARG  20          1HH2      ARG  20  -2.735 -19.815 -19.815
  877   2HH1  ARG  20          2HH2      ARG  20  -4.388 -20.325 -20.325
  878   1HH2  ARG  20          2HH1      ARG  20  -5.142 -18.421 -18.421
  879   2HH2  ARG  20          1HH1      ARG  20  -5.752 -19.537 -19.537
  880    H    GLU  21           H        GLU  21   1.647 -20.146 -20.146
  881    HA   GLU  21           HA       GLU  21   1.370 -22.520 -22.520
  882   1HB   GLU  21          2HB       GLU  21  -0.910 -21.042 -21.042
  883   2HB   GLU  21          1HB       GLU  21  -1.190 -22.029 -22.029
  884   1HG   GLU  21          2HG       GLU  21  -0.406 -24.005 -24.005
  885   2HG   GLU  21          1HG       GLU  21  -0.829 -22.900 -22.900
  886    H    GLY  22           H        GLY  22   0.825 -20.881 -20.881
  887   1HA   GLY  22          2HA       GLY  22   2.131 -23.088 -23.088
  888   2HA   GLY  22          1HA       GLY  22   0.438 -22.839 -22.839
  889    H    ASP  23           H        ASP  23   0.979 -22.159 -22.159
  890    HA   ASP  23           HA       ASP  23   1.700 -20.646 -20.646
  891   1HB   ASP  23          2HB       ASP  23   0.413 -19.220 -19.220
  892   2HB   ASP  23          1HB       ASP  23   1.237 -18.207 -18.207
  893    H    LYS  24           H        LYS  24   2.977 -18.274 -18.274
  894    HA   LYS  24           HA       LYS  24   5.461 -18.663 -18.663
  895   1HB   LYS  24          2HB       LYS  24   5.032 -18.171 -18.171
  896   2HB   LYS  24          1HB       LYS  24   6.562 -17.749 -17.749
  897   1HG   LYS  24          2HG       LYS  24   5.275 -20.496 -20.496
  898   2HG   LYS  24          1HG       LYS  24   6.624 -20.034 -20.034
  899   1HD   LYS  24          2HD       LYS  24   7.773 -19.299 -19.299
  900   2HD   LYS  24          1HD       LYS  24   6.570 -20.334 -20.334
  901   1HE   LYS  24          2HE       LYS  24   7.365 -22.281 -22.281
  902   2HE   LYS  24          1HE       LYS  24   8.321 -21.314 -21.314
  903   1HZ   LYS  24          3HZ       LYS  24   9.580 -20.446 -20.446
  904   2HZ   LYS  24          2HZ       LYS  24   8.733 -21.503 -21.503
  905   3HZ   LYS  24          1HZ       LYS  24   9.759 -22.123 -22.123
  906    H    HIS  25           H        HIS  25   5.067 -16.155 -16.155
  907    HA   HIS  25           HA       HIS  25   4.795 -14.145 -14.145
  908   1HB   HIS  25          2HB       HIS  25   6.125 -13.827 -13.827
  909   2HB   HIS  25          1HB       HIS  25   6.249 -12.743 -12.743
  910    HD1  HIS  25           HD1      HIS  25   8.663 -14.359 -14.359
  911    HD2  HIS  25           HD2      HIS  25   6.812 -15.310 -15.310
  912    HE1  HIS  25           HE1      HIS  25  10.320 -15.760 -15.760
  913    H    LYS  26           H        LYS  26   2.439 -15.050 -15.050
  914    HA   LYS  26           HA       LYS  26   1.306 -12.752 -12.752
  915   1HB   LYS  26          2HB       LYS  26   2.110 -14.649 -14.649
  916   2HB   LYS  26          1HB       LYS  26   0.725 -15.548 -15.548
  917   1HG   LYS  26          2HG       LYS  26   0.361 -12.726 -12.726
  918   2HG   LYS  26          1HG       LYS  26   0.410 -14.064 -14.064
  919   1HD   LYS  26          2HD       LYS  26  -1.281 -14.670 -14.670
  920   2HD   LYS  26          1HD       LYS  26  -1.828 -13.230 -13.230
  921   1HE   LYS  26          2HE       LYS  26  -2.853 -14.756 -14.756
  922   2HE   LYS  26          1HE       LYS  26  -1.236 -14.920 -14.920
  923   1HZ   LYS  26          1HZ       LYS  26  -2.227 -16.470 -16.470
  924   2HZ   LYS  26          3HZ       LYS  26  -2.155 -17.068 -17.068
  925   3HZ   LYS  26          2HZ       LYS  26  -0.723 -16.656 -16.656
  926    H    LEU  27           H        LEU  27  -1.096 -12.725 -12.725
  927    HA   LEU  27           HA       LEU  27  -1.980 -14.541 -14.541
  928   1HB   LEU  27          2HB       LEU  27  -2.272 -11.584 -11.584
  929   2HB   LEU  27          1HB       LEU  27  -3.432 -12.442 -12.442
  930    HG   LEU  27           HG       LEU  27  -0.825 -13.330 -13.330
  931   1HD1  LEU  27          3HD1      LEU  27  -0.338 -10.992 -10.992
  932   2HD1  LEU  27          2HD1      LEU  27  -1.044 -10.353 -10.353
  933   3HD1  LEU  27          1HD1      LEU  27   0.387 -11.379 -11.379
  934   1HD2  LEU  27          3HD2      LEU  27  -3.253 -12.577 -12.577
  935   2HD2  LEU  27          2HD2      LEU  27  -1.822 -13.166 -13.166
  936   3HD2  LEU  27          1HD2      LEU  27  -2.080 -11.432 -11.432
  937    H    LYS  28           H        LYS  28  -4.064 -15.360 -15.360
  938    HA   LYS  28           HA       LYS  28  -5.427 -15.013 -15.013
  939   1HB   LYS  28          2HB       LYS  28  -5.789 -17.085 -17.085
  940   2HB   LYS  28          1HB       LYS  28  -6.381 -17.189 -17.189
  941   1HG   LYS  28          2HG       LYS  28  -3.811 -16.835 -16.835
  942   2HG   LYS  28          1HG       LYS  28  -3.593 -17.506 -17.506
  943   1HD   LYS  28          2HD       LYS  28  -5.287 -18.815 -18.815
  944   2HD   LYS  28          1HD       LYS  28  -3.602 -19.236 -19.236
  945   1HE   LYS  28          2HE       LYS  28  -4.087 -20.114 -20.114
  946   2HE   LYS  28          1HE       LYS  28  -5.642 -19.263 -19.263
  947   1HZ   LYS  28          1HZ       LYS  28  -6.291 -20.564 -20.564
  948   2HZ   LYS  28          3HZ       LYS  28  -4.914 -21.522 -21.522
  949   3HZ   LYS  28          2HZ       LYS  28  -6.144 -21.477 -21.477
  950    H    LYS  29           H        LYS  29  -7.834 -14.898 -14.898
  951    HA   LYS  29           HA       LYS  29  -8.940 -12.859 -12.859
  952   1HB   LYS  29          2HB       LYS  29 -10.027 -15.413 -15.413
  953   2HB   LYS  29          1HB       LYS  29 -11.108 -14.298 -14.298
  954   1HG   LYS  29          2HG       LYS  29 -10.707 -12.558 -12.558
  955   2HG   LYS  29          1HG       LYS  29  -9.229 -13.310 -13.310
  956   1HD   LYS  29          2HD       LYS  29 -11.108 -13.547 -13.547
  957   2HD   LYS  29          1HD       LYS  29 -10.533 -15.111 -15.111
  958   1HE   LYS  29          2HE       LYS  29 -12.504 -14.303 -14.303
  959   2HE   LYS  29          1HE       LYS  29 -13.179 -13.971 -13.971
  960   1HZ   LYS  29          1HZ       LYS  29 -11.993 -16.279 -16.279
  961   2HZ   LYS  29          3HZ       LYS  29 -12.334 -16.509 -16.509
  962   3HZ   LYS  29          2HZ       LYS  29 -13.596 -16.185 -16.185
  963    H    SER  30           H        SER  30  -8.239 -16.130 -16.130
  964    HA   SER  30           HA       SER  30  -9.860 -16.009 -16.009
  965   1HB   SER  30          2HB       SER  30  -7.934 -17.824 -17.824
  966   2HB   SER  30          1HB       SER  30  -8.063 -18.004 -18.004
  967    HG   SER  30           HG       SER  30  -9.702 -18.918 -18.918
  968    H    GLU  31           H        GLU  31  -6.305 -16.024 -16.024
  969    HA   GLU  31           HA       GLU  31  -5.541 -15.397 -15.397
  970   1HB   GLU  31          2HB       GLU  31  -4.369 -15.033 -15.033
  971   2HB   GLU  31          1HB       GLU  31  -3.528 -14.356 -14.356
  972   1HG   GLU  31          2HG       GLU  31  -3.222 -16.480 -16.480
  973   2HG   GLU  31          1HG       GLU  31  -4.460 -17.227 -17.227
  974    H    LEU  32           H        LEU  32  -6.147 -13.264 -13.264
  975    HA   LEU  32           HA       LEU  32  -5.631 -10.760 -10.760
  976   1HB   LEU  32          2HB       LEU  32  -7.094 -11.909 -11.909
  977   2HB   LEU  32          1HB       LEU  32  -8.078 -10.633 -10.633
  978    HG   LEU  32           HG       LEU  32  -5.299 -10.417 -10.417
  979   1HD1  LEU  32          1HD1      LEU  32  -7.656 -10.076 -10.076
  980   2HD1  LEU  32          3HD1      LEU  32  -7.538  -8.487  -8.487
  981   3HD1  LEU  32          2HD1      LEU  32  -6.284  -9.027  -9.027
  982   1HD2  LEU  32          1HD2      LEU  32  -6.682  -8.655  -8.655
  983   2HD2  LEU  32          3HD2      LEU  32  -4.993  -9.156  -9.156
  984   3HD2  LEU  32          2HD2      LEU  32  -5.590  -7.946  -7.946
  985    H    LYS  33           H        LYS  33  -8.606 -12.731 -12.731
  986    HA   LYS  33           HA       LYS  33 -10.207 -10.993 -10.993
  987   1HB   LYS  33          2HB       LYS  33 -10.177 -13.682 -13.682
  988   2HB   LYS  33          1HB       LYS  33 -10.314 -13.746 -13.746
  989   1HG   LYS  33          2HG       LYS  33 -12.128 -12.294 -12.294
  990   2HG   LYS  33          1HG       LYS  33 -12.557 -13.607 -13.607
  991   1HD   LYS  33          2HD       LYS  33 -13.084 -12.085 -12.085
  992   2HD   LYS  33          1HD       LYS  33 -11.400 -11.563 -11.563
  993   1HE   LYS  33          2HE       LYS  33 -12.394  -9.558  -9.558
  994   2HE   LYS  33          1HE       LYS  33 -12.203 -10.275 -10.275
  995   1HZ   LYS  33          3HZ       LYS  33 -14.546 -11.046 -11.046
  996   2HZ   LYS  33          2HZ       LYS  33 -14.550  -9.497  -9.497
  997   3HZ   LYS  33          1HZ       LYS  33 -14.383 -10.873 -10.873
  998    H    GLU  34           H        GLU  34  -7.866 -13.451 -13.451
  999    HA   GLU  34           HA       GLU  34  -8.016 -12.944 -12.944
 1000   1HB   GLU  34          2HB       GLU  34  -6.094 -13.983 -13.983
 1001   2HB   GLU  34          1HB       GLU  34  -5.249 -13.058 -13.058
 1002   1HG   GLU  34          2HG       GLU  34  -5.517 -14.793 -14.793
 1003   2HG   GLU  34          1HG       GLU  34  -7.267 -14.610 -14.610
 1004    H    LEU  35           H        LEU  35  -5.666 -11.431 -11.431
 1005    HA   LEU  35           HA       LEU  35  -4.527  -9.425  -9.425
 1006   1HB   LEU  35          2HB       LEU  35  -4.850 -10.102 -10.102
 1007   2HB   LEU  35          1HB       LEU  35  -5.795  -8.612  -8.612
 1008    HG   LEU  35           HG       LEU  35  -3.291  -8.336  -8.336
 1009   1HD1  LEU  35          2HD1      LEU  35  -2.637 -10.040 -10.040
 1010   2HD1  LEU  35          1HD1      LEU  35  -3.101  -8.854  -8.854
 1011   3HD1  LEU  35          3HD1      LEU  35  -1.771  -8.506  -8.506
 1012   1HD2  LEU  35          3HD2      LEU  35  -5.094  -6.718  -6.718
 1013   2HD2  LEU  35          2HD2      LEU  35  -3.435  -6.233  -6.233
 1014   3HD2  LEU  35          1HD2      LEU  35  -3.859  -6.808  -6.808
 1015    H    ILE  36           H        ILE  36  -7.820  -9.082  -9.082
 1016    HA   ILE  36           HA       ILE  36  -8.144  -6.484  -6.484
 1017    HB   ILE  36           HB       ILE  36  -9.667  -8.220  -8.220
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.386  -6.336  -6.336
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.910  -5.292  -5.292
 1020   1HG2  ILE  36          1HG2      ILE  36 -11.356  -7.368  -7.368
 1021   2HG2  ILE  36          3HG2      ILE  36 -10.744  -5.731  -5.731
 1022   3HG2  ILE  36          2HG2      ILE  36 -11.508  -6.585  -6.585
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.360  -7.716  -7.716
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.949  -6.041  -6.041
 1025   3HD1  ILE  36          1HD1      ILE  36  -6.879  -6.620  -6.620
 1026    H    ASN  37           H        ASN  37  -9.137  -9.820  -9.820
 1027    HA   ASN  37           HA       ASN  37 -11.160  -8.991  -8.991
 1028   1HB   ASN  37          2HB       ASN  37 -11.939 -11.141 -11.141
 1029   2HB   ASN  37          1HB       ASN  37 -11.029 -11.016 -11.016
 1030   1HD2  ASN  37          2HD2      ASN  37 -10.067 -14.138 -14.138
 1031   2HD2  ASN  37          1HD2      ASN  37 -11.579 -13.495 -13.495
 1032    H    ASN  38           H        ASN  38  -7.808  -9.708  -9.708
 1033    HA   ASN  38           HA       ASN  38  -7.600 -10.821 -10.821
 1034   1HB   ASN  38          2HB       ASN  38  -5.773  -9.747  -9.747
 1035   2HB   ASN  38          1HB       ASN  38  -5.129 -10.054 -10.054
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.084 -13.163 -13.163
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.701 -11.550 -11.550
 1038    H    GLU  39           H        GLU  39  -7.243  -7.572  -7.572
 1039    HA   GLU  39           HA       GLU  39  -7.041  -6.475  -6.475
 1040   1HB   GLU  39          2HB       GLU  39  -5.009  -6.199  -6.199
 1041   2HB   GLU  39          1HB       GLU  39  -5.932  -5.536  -5.536
 1042   1HG   GLU  39          2HG       GLU  39  -4.806  -3.781  -3.781
 1043   2HG   GLU  39          1HG       GLU  39  -6.556  -3.588  -3.588
 1044    H    LEU  40           H        LEU  40  -8.226  -5.725  -5.725
 1045    HA   LEU  40           HA       LEU  40  -9.858  -3.488  -3.488
 1046   1HB   LEU  40          2HB       LEU  40 -10.345  -5.065  -5.065
 1047   2HB   LEU  40          1HB       LEU  40 -10.430  -3.323  -3.323
 1048    HG   LEU  40           HG       LEU  40  -7.979  -5.060  -5.060
 1049   1HD1  LEU  40          1HD1      LEU  40  -9.295  -2.802  -2.802
 1050   2HD1  LEU  40          3HD1      LEU  40  -7.532  -2.825  -2.825
 1051   3HD1  LEU  40          2HD1      LEU  40  -8.428  -4.194  -4.194
 1052   1HD2  LEU  40          1HD2      LEU  40  -8.316  -2.719  -2.719
 1053   2HD2  LEU  40          3HD2      LEU  40  -6.950  -3.829  -3.829
 1054   3HD2  LEU  40          2HD2      LEU  40  -7.080  -2.467  -2.467
 1055    H    SER  41           H        SER  41 -10.565  -5.367  -5.367
 1056    HA   SER  41           HA       SER  41 -12.553  -7.267  -7.267
 1057   1HB   SER  41          2HB       SER  41 -11.477  -7.030  -7.030
 1058   2HB   SER  41          1HB       SER  41 -12.158  -5.419  -5.419
 1059    HG   SER  41           HG       SER  41 -13.452  -6.855  -6.855
 1060    H    HIS  42           H        HIS  42 -12.957  -3.769  -3.769
 1061    HA   HIS  42           HA       HIS  42 -15.721  -3.536  -3.536
 1062   1HB   HIS  42          2HB       HIS  42 -13.668  -1.851  -1.851
 1063   2HB   HIS  42          1HB       HIS  42 -15.316  -1.315  -1.315
 1064    HD1  HIS  42           HD1      HIS  42 -15.708  -0.256  -0.256
 1065    HD2  HIS  42           HD2      HIS  42 -12.207  -2.519  -2.519
 1066    HE1  HIS  42           HE1      HIS  42 -14.588   0.112   0.112
 1067    H    PHE  43           H        PHE  43 -13.762  -4.357  -4.357
 1068    HA   PHE  43           HA       PHE  43 -16.001  -4.047  -4.047
 1069   1HB   PHE  43          2HB       PHE  43 -13.119  -4.898  -4.898
 1070   2HB   PHE  43          1HB       PHE  43 -14.162  -5.226  -5.226
 1071    HD1  PHE  43           HD1      PHE  43 -15.638  -2.383  -2.383
 1072    HD2  PHE  43           HD2      PHE  43 -11.984  -3.601  -3.601
 1073    HE1  PHE  43           HE1      PHE  43 -15.281  -0.074  -0.074
 1074    HE2  PHE  43           HE2      PHE  43 -11.630  -1.289  -1.289
 1075    HZ   PHE  43           HZ       PHE  43 -13.278   0.474   0.474
 1076    H    LEU  44           H        LEU  44 -14.767  -6.503  -6.503
 1077    HA   LEU  44           HA       LEU  44 -15.365  -8.902  -8.902
 1078   1HB   LEU  44          2HB       LEU  44 -14.597  -8.208  -8.208
 1079   2HB   LEU  44          1HB       LEU  44 -16.305  -8.467  -8.467
 1080    HG   LEU  44           HG       LEU  44 -16.013 -10.711 -10.711
 1081   1HD1  LEU  44          2HD1      LEU  44 -13.347  -9.597  -9.597
 1082   2HD1  LEU  44          1HD1      LEU  44 -13.321 -11.131 -11.131
 1083   3HD1  LEU  44          3HD1      LEU  44 -13.978 -11.057 -11.057
 1084   1HD2  LEU  44          2HD2      LEU  44 -16.086 -10.156 -10.156
 1085   2HD2  LEU  44          1HD2      LEU  44 -15.622 -11.771 -11.771
 1086   3HD2  LEU  44          3HD2      LEU  44 -14.383 -10.610 -10.610
 1087    H    GLU  45           H        GLU  45 -17.413  -6.488  -6.488
 1088    HA   GLU  45           HA       GLU  45 -19.927  -7.927  -7.927
 1089   1HB   GLU  45          2HB       GLU  45 -18.931  -6.023  -6.023
 1090   2HB   GLU  45          1HB       GLU  45 -20.144  -5.177  -5.177
 1091   1HG   GLU  45          2HG       GLU  45 -21.818  -6.270  -6.270
 1092   2HG   GLU  45          1HG       GLU  45 -21.085  -7.830  -7.830
 1093    H    GLU  46           H        GLU  46 -17.891  -5.365  -5.365
 1094    HA   GLU  46           HA       GLU  46 -17.991  -4.058  -4.058
 1095   1HB   GLU  46          2HB       GLU  46 -18.763  -6.661  -6.661
 1096   2HB   GLU  46          1HB       GLU  46 -20.107  -5.744  -5.744
 1097   1HG   GLU  46          2HG       GLU  46 -18.841  -5.320  -5.320
 1098   2HG   GLU  46          1HG       GLU  46 -17.739  -4.402  -4.402
 1099    H    ILE  47           H        ILE  47 -20.239  -3.990  -3.990
 1100    HA   ILE  47           HA       ILE  47 -22.476  -2.743  -2.743
 1101    HB   ILE  47           HB       ILE  47 -22.697  -4.333  -4.333
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.419  -3.079  -3.079
 1103   2HG1  ILE  47          1HG1      ILE  47 -23.669  -1.547  -1.547
 1104   1HG2  ILE  47          2HG2      ILE  47 -20.677  -2.673  -2.673
 1105   2HG2  ILE  47          1HG2      ILE  47 -22.096  -2.346  -2.346
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.487  -3.995  -3.995
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.512  -3.488  -3.488
 1108   2HD1  ILE  47          3HD1      ILE  47 -25.700  -2.408  -2.408
 1109   3HD1  ILE  47          2HD1      ILE  47 -24.300  -1.741  -1.741
 1110    H    LYS  48           H        LYS  48 -19.591  -1.849  -1.849
 1111    HA   LYS  48           HA       LYS  48 -20.316   0.772   0.772
 1112   1HB   LYS  48          2HB       LYS  48 -17.806  -0.743  -0.743
 1113   2HB   LYS  48          1HB       LYS  48 -17.696   0.987   0.987
 1114   1HG   LYS  48          2HG       LYS  48 -17.399  -0.024  -0.024
 1115   2HG   LYS  48          1HG       LYS  48 -19.090   0.477   0.477
 1116   1HD   LYS  48          2HD       LYS  48 -19.845  -1.661  -1.661
 1117   2HD   LYS  48          1HD       LYS  48 -18.651  -2.201  -2.201
 1118   1HE   LYS  48          2HE       LYS  48 -17.746  -3.289  -3.289
 1119   2HE   LYS  48          1HE       LYS  48 -17.048  -1.696  -1.696
 1120   1HZ   LYS  48          3HZ       LYS  48 -19.037  -1.146  -1.146
 1121   2HZ   LYS  48          2HZ       LYS  48 -19.692  -2.680  -2.680
 1122   3HZ   LYS  48          1HZ       LYS  48 -18.299  -2.534  -2.534
 1123    H    GLU  49           H        GLU  49 -19.979  -0.505  -0.505
 1124    HA   GLU  49           HA       GLU  49 -20.202   2.174   2.174
 1125   1HB   GLU  49          2HB       GLU  49 -18.162   1.626   1.626
 1126   2HB   GLU  49          1HB       GLU  49 -17.830   2.020   2.020
 1127   1HG   GLU  49          2HG       GLU  49 -17.456  -0.236  -0.236
 1128   2HG   GLU  49          1HG       GLU  49 -18.248  -0.835  -0.835
 1129    H    GLN  50           H        GLN  50 -22.134   1.513   1.513
 1130    HA   GLN  50           HA       GLN  50 -22.482  -1.032  -1.032
 1131   1HB   GLN  50          2HB       GLN  50 -23.912   1.636   1.636
 1132   2HB   GLN  50          1HB       GLN  50 -24.533   0.123   0.123
 1133   1HG   GLN  50          2HG       GLN  50 -24.138  -0.782  -0.782
 1134   2HG   GLN  50          1HG       GLN  50 -24.175   0.926   0.926
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.595  -0.616  -0.616
 1136   2HE2  GLN  50          1HE2      GLN  50 -26.085  -1.175  -1.175
 1137    H    GLU  51           H        GLU  51 -22.684   2.150   2.150
 1138    HA   GLU  51           HA       GLU  51 -22.262   1.383   1.383
 1139   1HB   GLU  51          2HB       GLU  51 -22.714   3.676   3.676
 1140   2HB   GLU  51          1HB       GLU  51 -21.047   3.781   3.781
 1141   1HG   GLU  51          2HG       GLU  51 -20.308   3.287   3.287
 1142   2HG   GLU  51          1HG       GLU  51 -21.991   3.495   3.495
 1143    H    VAL  52           H        VAL  52 -19.813   1.558   1.558
 1144    HA   VAL  52           HA       VAL  52 -17.562   1.264   1.264
 1145    HB   VAL  52           HB       VAL  52 -17.651   0.647   0.647
 1146   1HG1  VAL  52          3HG1      VAL  52 -15.610   0.423   0.423
 1147   2HG1  VAL  52          2HG1      VAL  52 -15.430   2.119   2.119
 1148   3HG1  VAL  52          1HG1      VAL  52 -15.366   0.872   0.872
 1149   1HG2  VAL  52          2HG2      VAL  52 -17.593   3.322   3.322
 1150   2HG2  VAL  52          1HG2      VAL  52 -18.739   2.783   2.783
 1151   3HG2  VAL  52          3HG2      VAL  52 -17.066   3.118   3.118
 1152    H    VAL  53           H        VAL  53 -19.486  -0.867  -0.867
 1153    HA   VAL  53           HA       VAL  53 -18.111  -3.299  -3.299
 1154    HB   VAL  53           HB       VAL  53 -21.059  -2.574  -2.574
 1155   1HG1  VAL  53          3HG1      VAL  53 -19.725  -5.179  -5.179
 1156   2HG1  VAL  53          2HG1      VAL  53 -20.981  -5.176  -5.176
 1157   3HG1  VAL  53          1HG1      VAL  53 -21.368  -4.688  -4.688
 1158   1HG2  VAL  53          1HG2      VAL  53 -19.119  -2.682  -2.682
 1159   2HG2  VAL  53          3HG2      VAL  53 -20.855  -2.434  -2.434
 1160   3HG2  VAL  53          2HG2      VAL  53 -20.189  -4.063  -4.063
 1161    H    ASP  54           H        ASP  54 -20.090  -1.518  -1.518
 1162    HA   ASP  54           HA       ASP  54 -20.089  -3.491  -3.491
 1163   1HB   ASP  54          2HB       ASP  54 -21.780  -1.879  -1.879
 1164   2HB   ASP  54          1HB       ASP  54 -20.710  -0.576  -0.576
 1165    H    LYS  55           H        LYS  55 -18.153  -0.591  -0.591
 1166    HA   LYS  55           HA       LYS  55 -16.364  -0.870  -0.870
 1167   1HB   LYS  55          2HB       LYS  55 -16.529   0.711   0.711
 1168   2HB   LYS  55          1HB       LYS  55 -15.037   0.748   0.748
 1169   1HG   LYS  55          2HG       LYS  55 -16.170   2.492   2.492
 1170   2HG   LYS  55          1HG       LYS  55 -16.740   1.154   1.154
 1171   1HD   LYS  55          2HD       LYS  55 -18.751   0.948   0.948
 1172   2HD   LYS  55          1HD       LYS  55 -18.181   2.255   2.255
 1173   1HE   LYS  55          2HE       LYS  55 -18.346   2.815   2.815
 1174   2HE   LYS  55          1HE       LYS  55 -19.864   2.748   2.748
 1175   1HZ   LYS  55          1HZ       LYS  55 -18.558   4.137   4.137
 1176   2HZ   LYS  55          3HZ       LYS  55 -17.528   4.502   4.502
 1177   3HZ   LYS  55          2HZ       LYS  55 -19.174   4.919   4.919
 1178    H    VAL  56           H        VAL  56 -15.635  -1.137  -1.137
 1179    HA   VAL  56           HA       VAL  56 -13.174  -2.288  -2.288
 1180    HB   VAL  56           HB       VAL  56 -15.722  -3.006  -3.006
 1181   1HG1  VAL  56          1HG1      VAL  56 -13.487  -4.654  -4.654
 1182   2HG1  VAL  56          3HG1      VAL  56 -13.204  -3.641  -3.641
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.683  -4.592  -4.592
 1184   1HG2  VAL  56          2HG2      VAL  56 -13.952  -0.810  -0.810
 1185   2HG2  VAL  56          1HG2      VAL  56 -15.233  -1.174  -1.174
 1186   3HG2  VAL  56          3HG2      VAL  56 -13.592  -1.752  -1.752
 1187    H    MET  57           H        MET  57 -16.182  -4.052  -4.052
 1188    HA   MET  57           HA       MET  57 -14.779  -6.584  -6.584
 1189   1HB   MET  57          2HB       MET  57 -17.585  -5.601  -5.601
 1190   2HB   MET  57          1HB       MET  57 -17.066  -7.285  -7.285
 1191   1HG   MET  57          2HG       MET  57 -16.536  -5.788  -5.788
 1192   2HG   MET  57          1HG       MET  57 -18.188  -6.314  -6.314
 1193   1HE   MET  57          2HE       MET  57 -15.150  -6.699  -6.699
 1194   2HE   MET  57          1HE       MET  57 -15.140  -8.296  -8.296
 1195   3HE   MET  57          3HE       MET  57 -14.331  -8.033  -8.033
 1196    H    GLU  58           H        GLU  58 -16.071  -3.963  -3.963
 1197    HA   GLU  58           HA       GLU  58 -15.905  -5.246  -5.246
 1198   1HB   GLU  58          2HB       GLU  58 -16.198  -3.087  -3.087
 1199   2HB   GLU  58          1HB       GLU  58 -16.747  -2.877  -2.877
 1200   1HG   GLU  58          2HG       GLU  58 -15.286  -1.094  -1.094
 1201   2HG   GLU  58          1HG       GLU  58 -14.159  -2.337  -2.337
 1202    H    THR  59           H        THR  59 -13.366  -3.833  -3.833
 1203    HA   THR  59           HA       THR  59 -11.335  -4.071  -4.071
 1204    HB   THR  59           HB       THR  59 -11.449  -3.203  -3.203
 1205    HG1  THR  59           HG1      THR  59 -11.344  -2.051  -2.051
 1206   1HG2  THR  59          1HG2      THR  59  -9.310  -4.465  -4.465
 1207   2HG2  THR  59          3HG2      THR  59  -8.943  -3.288  -3.288
 1208   3HG2  THR  59          2HG2      THR  59  -9.073  -2.769  -2.769
 1209    H    LEU  60           H        LEU  60 -11.803  -5.487  -5.487
 1210    HA   LEU  60           HA       LEU  60  -9.738  -7.357  -7.357
 1211   1HB   LEU  60          2HB       LEU  60 -11.843  -6.693  -6.693
 1212   2HB   LEU  60          1HB       LEU  60 -12.431  -8.230  -8.230
 1213    HG   LEU  60           HG       LEU  60  -9.694  -7.884  -7.884
 1214   1HD1  LEU  60          2HD1      LEU  60 -11.949  -7.563  -7.563
 1215   2HD1  LEU  60          1HD1      LEU  60 -11.896  -9.327  -9.327
 1216   3HD1  LEU  60          3HD1      LEU  60 -10.546  -8.411  -8.411
 1217   1HD2  LEU  60          3HD2      LEU  60 -10.045  -9.782  -9.782
 1218   2HD2  LEU  60          2HD2      LEU  60  -9.734 -10.331 -10.331
 1219   3HD2  LEU  60          1HD2      LEU  60 -11.378 -10.343 -10.343
 1220    H    ASP  61           H        ASP  61 -12.881  -7.605  -7.605
 1221    HA   ASP  61           HA       ASP  61 -12.324 -10.349 -10.349
 1222   1HB   ASP  61          2HB       ASP  61 -14.538  -8.981  -8.981
 1223   2HB   ASP  61          1HB       ASP  61 -14.595  -8.722  -8.722
 1224    H    SER  62           H        SER  62 -12.516  -7.065  -7.065
 1225    HA   SER  62           HA       SER  62 -11.955  -8.106  -8.106
 1226   1HB   SER  62          2HB       SER  62 -12.659  -6.002  -6.002
 1227   2HB   SER  62          1HB       SER  62 -13.568  -6.201  -6.201
 1228    HG   SER  62           HG       SER  62 -12.577  -4.479  -4.479
 1229    H    ASP  63           H        ASP  63 -10.439  -5.825  -5.825
 1230    HA   ASP  63           HA       ASP  63  -8.234  -4.772  -4.772
 1231   1HB   ASP  63          2HB       ASP  63  -8.660  -5.086  -5.086
 1232   2HB   ASP  63          1HB       ASP  63  -8.228  -6.794  -6.794
 1233    H    GLY  64           H        GLY  64  -6.935  -7.704  -7.704
 1234   1HA   GLY  64          2HA       GLY  64  -5.660  -8.274  -8.274
 1235   2HA   GLY  64          1HA       GLY  64  -5.149  -8.933  -8.933
 1236    H    ASP  65           H        ASP  65  -8.293  -9.155  -9.155
 1237    HA   ASP  65           HA       ASP  65  -9.695 -11.025 -11.025
 1238   1HB   ASP  65          2HB       ASP  65 -10.520 -11.494 -11.494
 1239   2HB   ASP  65          1HB       ASP  65  -9.999  -9.810  -9.810
 1240    H    GLY  66           H        GLY  66  -8.625 -12.641 -12.641
 1241   1HA   GLY  66          2HA       GLY  66  -7.642 -14.755 -14.755
 1242   2HA   GLY  66          1HA       GLY  66  -7.770 -14.986 -14.986
 1243    H    GLU  67           H        GLU  67  -6.189 -12.094 -12.094
 1244    HA   GLU  67           HA       GLU  67  -3.488 -13.366 -13.366
 1245   1HB   GLU  67          2HB       GLU  67  -4.239 -12.913 -12.913
 1246   2HB   GLU  67          1HB       GLU  67  -4.532 -11.228 -11.228
 1247   1HG   GLU  67          2HG       GLU  67  -2.366 -10.726 -10.726
 1248   2HG   GLU  67          1HG       GLU  67  -1.870 -11.969 -11.969
 1249    H    CYS  68           H        CYS  68  -3.857 -12.470 -12.470
 1250    HA   CYS  68           HA       CYS  68  -3.552  -9.517  -9.517
 1251   1HB   CYS  68          2HB       CYS  68  -3.689 -11.558 -11.558
 1252   2HB   CYS  68          1HB       CYS  68  -4.114  -9.851  -9.851
 1253    HG   CYS  68           HG       CYS  68  -6.130 -11.838 -11.838
 1254    H    ASP  69           H        ASP  69  -1.305  -9.825  -9.825
 1255    HA   ASP  69           HA       ASP  69   0.755 -10.982 -10.982
 1256   1HB   ASP  69          2HB       ASP  69   0.385 -10.631 -10.631
 1257   2HB   ASP  69          1HB       ASP  69   1.639  -9.475  -9.475
 1258    H    PHE  70           H        PHE  70   2.828  -9.584  -9.584
 1259    HA   PHE  70           HA       PHE  70   3.057  -7.816  -7.816
 1260   1HB   PHE  70          2HB       PHE  70   4.195  -7.744  -7.744
 1261   2HB   PHE  70          1HB       PHE  70   4.711  -6.576  -6.576
 1262    HD1  PHE  70           HD1      PHE  70   3.588  -9.657  -9.657
 1263    HD2  PHE  70           HD2      PHE  70   7.009  -7.768  -7.768
 1264    HE1  PHE  70           HE1      PHE  70   5.051 -11.347 -11.347
 1265    HE2  PHE  70           HE2      PHE  70   8.484  -9.472  -9.472
 1266    HZ   PHE  70           HZ       PHE  70   7.497 -11.260 -11.260
 1267    H    GLN  71           H        GLN  71   2.980  -6.069  -6.069
 1268    HA   GLN  71           HA       GLN  71   1.965  -3.661  -3.661
 1269   1HB   GLN  71          2HB       GLN  71   1.834  -2.944  -2.944
 1270   2HB   GLN  71          1HB       GLN  71   3.183  -4.075  -4.075
 1271   1HG   GLN  71          2HG       GLN  71   2.152  -5.085  -5.085
 1272   2HG   GLN  71          1HG       GLN  71   1.117  -5.784  -5.784
 1273   1HE2  GLN  71          2HE2      GLN  71  -1.484  -4.368  -4.368
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.636  -5.802  -5.802
 1275    H    GLU  72           H        GLU  72   0.277  -6.550  -6.550
 1276    HA   GLU  72           HA       GLU  72  -2.313  -5.285  -5.285
 1277   1HB   GLU  72          2HB       GLU  72  -1.850  -8.144  -8.144
 1278   2HB   GLU  72          1HB       GLU  72  -3.031  -7.507  -7.507
 1279   1HG   GLU  72          2HG       GLU  72  -0.641  -6.695  -6.695
 1280   2HG   GLU  72          1HG       GLU  72  -0.233  -8.273  -8.273
 1281    H    PHE  73           H        PHE  73  -0.753  -6.931  -6.931
 1282    HA   PHE  73           HA       PHE  73  -3.024  -6.802  -6.802
 1283   1HB   PHE  73          2HB       PHE  73  -1.315  -8.171  -8.171
 1284   2HB   PHE  73          1HB       PHE  73  -0.054  -7.074  -7.074
 1285    HD1  PHE  73           HD2      PHE  73  -3.001  -6.021  -6.021
 1286    HD2  PHE  73           HD1      PHE  73   1.181  -6.967  -6.967
 1287    HE1  PHE  73           HE2      PHE  73  -2.834  -5.040  -5.040
 1288    HE2  PHE  73           HE1      PHE  73   1.344  -6.000  -6.000
 1289    HZ   PHE  73           HZ       PHE  73  -0.674  -5.027  -5.027
 1290    H    MET  74           H        MET  74  -0.166  -4.640  -4.640
 1291    HA   MET  74           HA       MET  74  -1.134  -2.575  -2.575
 1292   1HB   MET  74          2HB       MET  74   0.669  -2.559  -2.559
 1293   2HB   MET  74          1HB       MET  74   0.525  -1.207  -1.207
 1294   1HG   MET  74          2HG       MET  74   0.993  -3.212  -3.212
 1295   2HG   MET  74          1HG       MET  74   1.870  -3.830  -3.830
 1296   1HE   MET  74          3HE       MET  74   0.836  -0.569  -0.569
 1297   2HE   MET  74          2HE       MET  74   1.862  -0.799  -0.799
 1298   3HE   MET  74          1HE       MET  74   2.286   0.421   0.421
 1299    H    ALA  75           H        ALA  75  -1.779  -3.342  -3.342
 1300    HA   ALA  75           HA       ALA  75  -2.995  -0.871  -0.871
 1301   1HB   ALA  75          1HB       ALA  75  -2.986  -3.751  -3.751
 1302   2HB   ALA  75          3HB       ALA  75  -4.109  -2.643  -2.643
 1303   3HB   ALA  75          2HB       ALA  75  -2.373  -2.344  -2.344
 1304    H    PHE  76           H        PHE  76  -4.579  -3.973  -3.973
 1305    HA   PHE  76           HA       PHE  76  -7.214  -2.857  -2.857
 1306   1HB   PHE  76          2HB       PHE  76  -7.020  -5.151  -5.151
 1307   2HB   PHE  76          1HB       PHE  76  -5.816  -5.417  -5.417
 1308    HD1  PHE  76           HD1      PHE  76  -9.383  -4.338  -4.338
 1309    HD2  PHE  76           HD2      PHE  76  -6.484  -6.333  -6.333
 1310    HE1  PHE  76           HE1      PHE  76 -11.182  -5.031  -5.031
 1311    HE2  PHE  76           HE2      PHE  76  -8.281  -7.020  -7.020
 1312    HZ   PHE  76           HZ       PHE  76 -10.632  -6.372  -6.372
 1313    H    VAL  77           H        VAL  77  -4.831  -3.876  -3.876
 1314    HA   VAL  77           HA       VAL  77  -6.344  -3.278  -3.278
 1315    HB   VAL  77           HB       VAL  77  -3.923  -4.197  -4.197
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.114  -2.119  -2.119
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.313  -1.255  -1.255
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.143  -2.568  -2.568
 1319   1HG2  VAL  77          2HG2      VAL  77  -4.951  -2.461  -2.461
 1320   2HG2  VAL  77          1HG2      VAL  77  -4.658  -4.200  -4.200
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.301  -3.077  -3.077
 1322    H    ALA  78           H        ALA  78  -4.579  -1.172  -1.172
 1323    HA   ALA  78           HA       ALA  78  -5.005   1.293   1.293
 1324   1HB   ALA  78          1HB       ALA  78  -3.231   0.877   0.877
 1325   2HB   ALA  78          3HB       ALA  78  -4.476   0.738   0.738
 1326   3HB   ALA  78          2HB       ALA  78  -4.216   2.278   2.278
 1327    H    MET  79           H        MET  79  -6.701  -0.350  -0.350
 1328    HA   MET  79           HA       MET  79  -8.654   1.684   1.684
 1329   1HB   MET  79          2HB       MET  79  -8.018  -1.008  -1.008
 1330   2HB   MET  79          1HB       MET  79  -9.732  -0.949  -0.949
 1331   1HG   MET  79          2HG       MET  79  -9.726  -0.355  -0.355
 1332   2HG   MET  79          1HG       MET  79  -9.765   1.210   1.210
 1333   1HE   MET  79          2HE       MET  79  -8.580  -0.690  -0.690
 1334   2HE   MET  79          1HE       MET  79  -6.897  -0.324  -0.324
 1335   3HE   MET  79          3HE       MET  79  -7.296  -1.483  -1.483
 1336    H    ILE  80           H        ILE  80  -8.488  -0.965  -0.965
 1337    HA   ILE  80           HA       ILE  80 -11.202  -0.459  -0.459
 1338    HB   ILE  80           HB       ILE  80  -8.928  -2.064  -2.064
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.375  -2.546  -2.546
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.539  -3.916  -3.916
 1341   1HG2  ILE  80          3HG2      ILE  80 -11.728  -1.667  -1.667
 1342   2HG2  ILE  80          2HG2      ILE  80 -11.411  -3.366  -3.366
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.506  -2.549  -2.549
 1344   1HD1  ILE  80          1HD1      ILE  80 -12.036  -2.459  -2.459
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.476  -2.955  -2.955
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.709  -4.160  -4.160
 1347    H    THR  81           H        THR  81  -7.991  -0.507  -0.507
 1348    HA   THR  81           HA       THR  81  -8.331   0.681   0.681
 1349    HB   THR  81           HB       THR  81  -6.268   1.146   1.146
 1350    HG1  THR  81           HG1      THR  81  -6.559  -0.901  -0.901
 1351   1HG2  THR  81          1HG2      THR  81  -6.603   2.519   2.519
 1352   2HG2  THR  81          3HG2      THR  81  -4.997   1.851   1.851
 1353   3HG2  THR  81          2HG2      THR  81  -5.685   3.007   3.007
 1354    H    THR  82           H        THR  82  -8.578   2.408   2.408
 1355    HA   THR  82           HA       THR  82  -8.611   5.042   5.042
 1356    HB   THR  82           HB       THR  82 -10.118   5.189   5.189
 1357    HG1  THR  82           HG1      THR  82  -8.628   3.660   3.660
 1358   1HG2  THR  82          3HG2      THR  82  -8.062   6.498   6.498
 1359   2HG2  THR  82          2HG2      THR  82  -7.088   5.074   5.074
 1360   3HG2  THR  82          1HG2      THR  82  -8.010   5.861   5.861
 1361    H    ALA  83           H        ALA  83 -11.158   2.669   2.669
 1362    HA   ALA  83           HA       ALA  83 -13.249   4.485   4.485
 1363   1HB   ALA  83          1HB       ALA  83 -13.215   1.705   1.705
 1364   2HB   ALA  83          3HB       ALA  83 -14.687   2.514   2.514
 1365   3HB   ALA  83          2HB       ALA  83 -13.734   3.198   3.198
 1366    H    CYS  84           H        CYS  84 -11.019   3.056   3.056
 1367    HA   CYS  84           HA       CYS  84 -12.622   1.281   1.281
 1368   1HB   CYS  84          2HB       CYS  84 -10.530   0.802   0.802
 1369   2HB   CYS  84          1HB       CYS  84 -10.154   1.061   1.061
 1370    HG   CYS  84           HG       CYS  84  -9.041   2.699   2.699
 1371    H    HIS  85           H        HIS  85 -13.086   4.361   4.361
 1372    HA   HIS  85           HA       HIS  85 -13.934   5.968   5.968
 1373   1HB   HIS  85          2HB       HIS  85 -14.220   3.425   3.425
 1374   2HB   HIS  85          1HB       HIS  85 -13.525   4.431   4.431
 1375    HD1  HIS  85           HD1      HIS  85 -16.672   3.706   3.706
 1376    HD2  HIS  85           HD2      HIS  85 -15.093   6.928   6.928
 1377    HE1  HIS  85           HE1      HIS  85 -18.633   5.184   5.184
 1378    H    GLU  86           H        GLU  86 -11.682   6.912   6.912
 1379    HA   GLU  86           HA       GLU  86 -10.357   7.712   7.712
 1380   1HB   GLU  86          2HB       GLU  86  -9.088   5.993   5.993
 1381   2HB   GLU  86          1HB       GLU  86  -8.107   6.990   6.990
 1382   1HG   GLU  86          2HG       GLU  86  -9.986   4.748   4.748
 1383   2HG   GLU  86          1HG       GLU  86  -8.238   4.800   4.800
 1384    H    PHE  87           H        PHE  87  -8.034   8.833   8.833
 1385    HA   PHE  87           HA       PHE  87  -8.942  11.310  11.310
 1386   1HB   PHE  87          2HB       PHE  87  -6.624  11.278  11.278
 1387   2HB   PHE  87          1HB       PHE  87  -6.494   9.627   9.627
 1388    HD1  PHE  87           HD1      PHE  87  -6.917  13.160  13.160
 1389    HD2  PHE  87           HD2      PHE  87  -6.120   9.139   9.139
 1390    HE1  PHE  87           HE1      PHE  87  -6.367  13.990  13.990
 1391    HE2  PHE  87           HE2      PHE  87  -5.600   9.953   9.953
 1392    HZ   PHE  87           HZ       PHE  87  -5.707  12.396  12.396
 1393    H    PHE  88           H        PHE  88  -8.086   8.424   8.424
 1394    HA   PHE  88           HA       PHE  88  -8.551   9.160   9.160
 1395   1HB   PHE  88          2HB       PHE  88  -9.289   6.673   6.673
 1396   2HB   PHE  88          1HB       PHE  88  -9.418   6.762   6.762
 1397    HD1  PHE  88           HD1      PHE  88  -7.028   8.643   8.643
 1398    HD2  PHE  88           HD2      PHE  88  -7.497   5.071   5.071
 1399    HE1  PHE  88           HE1      PHE  88  -4.619   8.208   8.208
 1400    HE2  PHE  88           HE2      PHE  88  -5.070   4.631   4.631
 1401    HZ   PHE  88           HZ       PHE  88  -3.624   6.196   6.196
 1402    H    GLU  89           H        GLU  89 -11.198   7.153   7.153
 1403    HA   GLU  89           HA       GLU  89 -13.535   7.451   7.451
 1404   1HB   GLU  89          2HB       GLU  89 -12.340   9.807   9.807
 1405   2HB   GLU  89          1HB       GLU  89 -13.744  10.265  10.265
 1406   1HG   GLU  89          2HG       GLU  89 -14.013   7.876   7.876
 1407   2HG   GLU  89          1HG       GLU  89 -13.992   9.463   9.463
 1408    H    HIS  90           H        HIS  90 -11.448   8.102   8.102
 1409    HA   HIS  90           HA       HIS  90 -13.456   8.731   8.731
 1410   1HB   HIS  90          2HB       HIS  90 -11.599  10.742  10.742
 1411   2HB   HIS  90          1HB       HIS  90 -11.761  10.763  10.763
 1412    HD1  HIS  90           HD1      HIS  90 -13.245  12.248  12.248
 1413    HD2  HIS  90           HD2      HIS  90 -14.797  10.593  10.593
 1414    HE1  HIS  90           HE1      HIS  90 -15.590  13.172  13.172
 1415    H    GLU  91           H        GLU  91 -12.533   6.625   6.625
 1416    HA   GLU  91           HA       GLU  91  -9.811   6.115   6.115
 1417   1HB   GLU  91          2HB       GLU  91 -10.839   4.509   4.509
 1418   2HB   GLU  91          1HB       GLU  91 -11.497   4.390   4.390
 1419   1HG   GLU  91          2HG       GLU  91 -12.942   6.397   6.397
 1420   2HG   GLU  91          1HG       GLU  91 -12.932   4.880   4.880

  Start of MODEL    4
    1   1H    MET   0          3H        MET   0  -1.079  -9.886  -9.886
    2   2H    MET   0          2H        MET   0  -2.494 -10.420 -10.420
    3   3H    MET   0          1H        MET   0  -1.348 -11.546 -11.546
    4    HA   MET   0           HA       MET   0  -1.840 -11.084 -11.084
    5   1HB   MET   0          2HB       MET   0  -4.211 -11.780 -11.780
    6   2HB   MET   0          1HB       MET   0  -3.292 -12.613 -12.613
    7   1HG   MET   0          2HG       MET   0  -4.240 -11.356 -11.356
    8   2HG   MET   0          1HG       MET   0  -4.641 -10.011 -10.011
    9   1HE   MET   0          1HE       MET   0  -6.602  -9.526  -9.526
   10   2HE   MET   0          3HE       MET   0  -8.133 -10.309 -10.309
   11   3HE   MET   0          2HE       MET   0  -7.318 -10.708 -10.708
   12    H    SER   1           H        SER   1  -2.887  -8.648  -8.648
   13    HA   SER   1           HA       SER   1  -4.430  -7.097  -7.097
   14   1HB   SER   1          2HB       SER   1  -3.296  -6.110  -6.110
   15   2HB   SER   1          1HB       SER   1  -4.823  -5.681  -5.681
   16    HG   SER   1           HG       SER   1  -4.760  -7.277  -7.277
   17    H    GLU   2           H        GLU   2  -1.155  -7.647  -7.647
   18    HA   GLU   2           HA       GLU   2   0.274  -5.302  -5.302
   19   1HB   GLU   2          2HB       GLU   2   0.443  -7.720  -7.720
   20   2HB   GLU   2          1HB       GLU   2   1.717  -6.506  -6.506
   21   1HG   GLU   2          2HG       GLU   2   1.372  -7.018  -7.018
   22   2HG   GLU   2          1HG       GLU   2   0.889  -8.582  -8.582
   23    H    LEU   3           H        LEU   3  -1.694  -6.588  -6.588
   24    HA   LEU   3           HA       LEU   3  -1.001  -4.631  -4.631
   25   1HB   LEU   3          2HB       LEU   3  -3.270  -6.521  -6.521
   26   2HB   LEU   3          1HB       LEU   3  -3.409  -5.376  -5.376
   27    HG   LEU   3           HG       LEU   3  -0.800  -6.651  -6.651
   28   1HD1  LEU   3          3HD1      LEU   3  -3.186  -8.337  -8.337
   29   2HD1  LEU   3          2HD1      LEU   3  -2.184  -8.820  -8.820
   30   3HD1  LEU   3          1HD1      LEU   3  -1.480  -8.716  -8.716
   31   1HD2  LEU   3          1HD2      LEU   3  -3.117  -6.565  -6.565
   32   2HD2  LEU   3          3HD2      LEU   3  -1.733  -5.472  -5.472
   33   3HD2  LEU   3          2HD2      LEU   3  -1.506  -7.169  -7.169
   34    H    GLU   4           H        GLU   4  -3.956  -4.805  -4.805
   35    HA   GLU   4           HA       GLU   4  -5.060  -2.295  -2.295
   36   1HB   GLU   4          2HB       GLU   4  -6.270  -3.860  -3.860
   37   2HB   GLU   4          1HB       GLU   4  -4.973  -3.961  -3.961
   38   1HG   GLU   4          2HG       GLU   4  -6.642  -2.575  -2.575
   39   2HG   GLU   4          1HG       GLU   4  -5.384  -1.470  -1.470
   40    H    LYS   5           H        LYS   5  -2.465  -3.146  -3.146
   41    HA   LYS   5           HA       LYS   5  -2.179  -0.536  -0.536
   42   1HB   LYS   5          2HB       LYS   5  -0.001  -2.605  -2.605
   43   2HB   LYS   5          1HB       LYS   5  -0.288  -1.549  -1.549
   44   1HG   LYS   5          2HG       LYS   5  -2.654  -3.096  -3.096
   45   2HG   LYS   5          1HG       LYS   5  -1.296  -4.212  -4.212
   46   1HD   LYS   5          2HD       LYS   5  -1.478  -2.172  -2.172
   47   2HD   LYS   5          1HD       LYS   5  -2.165  -3.789  -3.789
   48   1HE   LYS   5          2HE       LYS   5  -0.010  -4.826  -4.826
   49   2HE   LYS   5          1HE       LYS   5   0.736  -3.286  -3.286
   50   1HZ   LYS   5          1HZ       LYS   5  -0.070  -2.405  -2.405
   51   2HZ   LYS   5          3HZ       LYS   5  -0.425  -4.003  -4.003
   52   3HZ   LYS   5          2HZ       LYS   5   1.178  -3.552  -3.552
   53    H    ALA   6           H        ALA   6  -0.611  -2.199  -2.199
   54    HA   ALA   6           HA       ALA   6   1.190  -0.036  -0.036
   55   1HB   ALA   6          1HB       ALA   6   0.017  -2.434  -2.434
   56   2HB   ALA   6          3HB       ALA   6   1.089  -1.315  -1.315
   57   3HB   ALA   6          2HB       ALA   6   1.671  -2.202  -2.202
   58    H    VAL   7           H        VAL   7  -2.178  -0.766  -0.766
   59    HA   VAL   7           HA       VAL   7  -2.626   1.042   1.042
   60    HB   VAL   7           HB       VAL   7  -4.145  -0.500  -0.500
   61   1HG1  VAL   7          1HG1      VAL   7  -5.083   1.927   1.927
   62   2HG1  VAL   7          3HG1      VAL   7  -6.105   0.531   0.531
   63   3HG1  VAL   7          2HG1      VAL   7  -5.800   1.007   1.007
   64   1HG2  VAL   7          1HG2      VAL   7  -3.739  -0.519  -0.519
   65   2HG2  VAL   7          3HG2      VAL   7  -3.701  -1.859  -1.859
   66   3HG2  VAL   7          2HG2      VAL   7  -5.245  -1.176  -1.176
   67    H    VAL   8           H        VAL   8  -3.101   1.277   1.277
   68    HA   VAL   8           HA       VAL   8  -4.058   3.972   3.972
   69    HB   VAL   8           HB       VAL   8  -2.846   1.967   1.967
   70   1HG1  VAL   8          1HG1      VAL   8  -1.588   4.032   4.032
   71   2HG1  VAL   8          3HG1      VAL   8  -3.115   4.888   4.888
   72   3HG1  VAL   8          2HG1      VAL   8  -2.691   3.562   3.562
   73   1HG2  VAL   8          1HG2      VAL   8  -5.380   2.718   2.718
   74   2HG2  VAL   8          3HG2      VAL   8  -4.941   1.969   1.969
   75   3HG2  VAL   8          2HG2      VAL   8  -5.096   3.722   3.722
   76    H    ALA   9           H        ALA   9  -0.853   2.572   2.572
   77    HA   ALA   9           HA       ALA   9   0.653   4.972   4.972
   78   1HB   ALA   9          3HB       ALA   9   1.170   2.392   2.392
   79   2HB   ALA   9          2HB       ALA   9   2.414   3.630   3.630
   80   3HB   ALA   9          1HB       ALA   9   1.741   2.846   2.846
   81    H    LEU  10           H        LEU  10  -0.808   3.595   3.595
   82    HA   LEU  10           HA       LEU  10   0.374   5.554   5.554
   83   1HB   LEU  10          2HB       LEU  10  -1.934   3.595   3.595
   84   2HB   LEU  10          1HB       LEU  10  -1.196   4.457   4.457
   85    HG   LEU  10           HG       LEU  10   0.160   2.463   2.463
   86   1HD1  LEU  10          1HD1      LEU  10  -0.429   2.441   2.441
   87   2HD1  LEU  10          3HD1      LEU  10   0.455   1.191   1.191
   88   3HD1  LEU  10          2HD1      LEU  10  -1.252   1.468   1.468
   89   1HD2  LEU  10          1HD2      LEU  10   1.213   4.568   4.568
   90   2HD2  LEU  10          3HD2      LEU  10   1.986   3.766   3.766
   91   3HD2  LEU  10          2HD2      LEU  10   1.936   2.973   2.973
   92    H    ILE  11           H        ILE  11  -2.898   5.045   5.045
   93    HA   ILE  11           HA       ILE  11  -4.216   7.228   7.228
   94    HB   ILE  11           HB       ILE  11  -5.809   6.977   6.977
   95   1HG1  ILE  11          2HG1      ILE  11  -3.673   5.598   5.598
   96   2HG1  ILE  11          1HG1      ILE  11  -4.083   7.300   7.300
   97   1HG2  ILE  11          1HG2      ILE  11  -4.593   4.691   4.691
   98   2HG2  ILE  11          3HG2      ILE  11  -5.057   4.262   4.262
   99   3HG2  ILE  11          2HG2      ILE  11  -6.265   4.893   4.893
  100   1HD1  ILE  11          3HD1      ILE  11  -6.296   5.302   5.302
  101   2HD1  ILE  11          2HD1      ILE  11  -5.263   5.447   5.447
  102   3HD1  ILE  11          1HD1      ILE  11  -6.154   6.849   6.849
  103    H    ASP  12           H        ASP  12  -2.103   7.136   7.136
  104    HA   ASP  12           HA       ASP  12  -2.491   9.887   9.887
  105   1HB   ASP  12          2HB       ASP  12  -1.014   7.536   7.536
  106   2HB   ASP  12          1HB       ASP  12   0.101   8.903   8.903
  107    H    VAL  13           H        VAL  13   0.076   8.225   8.225
  108    HA   VAL  13           HA       VAL  13   1.756  10.343  10.343
  109    HB   VAL  13           HB       VAL  13   0.703   8.141   8.141
  110   1HG1  VAL  13          1HG1      VAL  13   2.002   9.890   9.890
  111   2HG1  VAL  13          3HG1      VAL  13   3.318   9.668   9.668
  112   3HG1  VAL  13          2HG1      VAL  13   2.879   8.361   8.361
  113   1HG2  VAL  13          3HG2      VAL  13   1.959   7.896   7.896
  114   2HG2  VAL  13          2HG2      VAL  13   1.954   6.669   6.669
  115   3HG2  VAL  13          1HG2      VAL  13   3.303   7.799   7.799
  116    H    PHE  14           H        PHE  14  -1.033   9.322   9.322
  117    HA   PHE  14           HA       PHE  14  -1.097  11.438  11.438
  118   1HB   PHE  14          2HB       PHE  14  -2.994   9.487   9.487
  119   2HB   PHE  14          1HB       PHE  14  -3.761  11.010  11.010
  120    HD1  PHE  14           HD2      PHE  14  -3.415  11.987  11.987
  121    HD2  PHE  14           HD1      PHE  14  -2.239   7.974   7.974
  122    HE1  PHE  14           HE2      PHE  14  -3.314  11.422  11.422
  123    HE2  PHE  14           HE1      PHE  14  -2.148   7.407   7.407
  124    HZ   PHE  14           HZ       PHE  14  -2.673   9.126   9.126
  125    H    HIS  15           H        HIS  15  -2.773  11.321  11.321
  126    HA   HIS  15           HA       HIS  15  -4.038  13.744  13.744
  127   1HB   HIS  15          2HB       HIS  15  -3.701  12.002  12.002
  128   2HB   HIS  15          1HB       HIS  15  -2.100  12.684  12.684
  129    HD1  HIS  15           HD1      HIS  15  -5.681  13.213  13.213
  130    HD2  HIS  15           HD2      HIS  15  -2.162  15.436  15.436
  131    HE1  HIS  15           HE1      HIS  15  -6.196  15.216  15.216
  132    H    GLN  16           H        GLN  16  -0.544  13.207  13.207
  133    HA   GLN  16           HA       GLN  16   0.001  16.111  16.111
  134   1HB   GLN  16          2HB       GLN  16   1.733  13.615  13.615
  135   2HB   GLN  16          1HB       GLN  16   2.343  15.250  15.250
  136   1HG   GLN  16          2HG       GLN  16   1.742  15.209  15.209
  137   2HG   GLN  16          1HG       GLN  16   0.142  14.573  14.573
  138   1HE2  GLN  16          2HE2      GLN  16   3.054  11.683  11.683
  139   2HE2  GLN  16          1HE2      GLN  16   3.334  13.084  13.084
  140    H    TYR  17           H        TYR  17   1.362  13.503  13.503
  141    HA   TYR  17           HA       TYR  17   2.445  14.755  14.755
  142   1HB   TYR  17          2HB       TYR  17   0.772  12.300  12.300
  143   2HB   TYR  17          1HB       TYR  17   1.197  12.776  12.776
  144    HD1  TYR  17           HD1      TYR  17   2.547  11.882  11.882
  145    HD2  TYR  17           HD2      TYR  17   3.466  12.641  12.641
  146    HE1  TYR  17           HE1      TYR  17   4.834  11.010  11.010
  147    HE2  TYR  17           HE2      TYR  17   5.764  11.781  11.781
  148    HH   TYR  17           HH       TYR  17   7.349  11.563  11.563
  149    H    SER  18           H        SER  18  -1.086  14.337  14.337
  150    HA   SER  18           HA       SER  18  -1.577  15.831  15.831
  151   1HB   SER  18          2HB       SER  18  -3.841  15.128  15.128
  152   2HB   SER  18          1HB       SER  18  -2.821  13.769  13.769
  153    HG   SER  18           HG       SER  18  -4.365  15.478  15.478
  154    H    GLY  19           H        GLY  19  -2.158  16.243  16.243
  155   1HA   GLY  19          2HA       GLY  19  -3.150  18.989  18.989
  156   2HA   GLY  19          1HA       GLY  19  -3.193  18.143  18.143
  157    H    ARG  20           H        ARG  20  -0.190  17.970  17.970
  158    HA   ARG  20           HA       ARG  20   0.996  19.809  19.809
  159   1HB   ARG  20          2HB       ARG  20   3.056  18.614  18.614
  160   2HB   ARG  20          1HB       ARG  20   1.773  17.425  17.425
  161   1HG   ARG  20          2HG       ARG  20   1.802  16.797  16.797
  162   2HG   ARG  20          1HG       ARG  20   2.156  18.427  18.427
  163   1HD   ARG  20          2HD       ARG  20   4.335  17.225  17.225
  164   2HD   ARG  20          1HD       ARG  20   3.998  16.392  16.392
  165    HE   ARG  20           HE       ARG  20   4.020  19.297  19.297
  166   1HH1  ARG  20          2HH1      ARG  20   5.106  16.636  16.636
  167   2HH1  ARG  20          1HH1      ARG  20   6.733  17.169  17.169
  168   1HH2  ARG  20          1HH2      ARG  20   6.463  19.902  19.902
  169   2HH2  ARG  20          2HH2      ARG  20   7.501  19.018  19.018
  170    H    GLU  21           H        GLU  21  -0.077  19.923  19.923
  171    HA   GLU  21           HA       GLU  21   1.905  22.061  22.061
  172   1HB   GLU  21          2HB       GLU  21   1.436  19.620  19.620
  173   2HB   GLU  21          1HB       GLU  21   0.499  20.753  20.753
  174   1HG   GLU  21          2HG       GLU  21   3.081  21.884  21.884
  175   2HG   GLU  21          1HG       GLU  21   3.276  20.323  20.323
  176    H    GLY  22           H        GLY  22  -1.171  20.983  20.983
  177   1HA   GLY  22          2HA       GLY  22  -2.630  23.330  23.330
  178   2HA   GLY  22          1HA       GLY  22  -2.182  23.434  23.434
  179    H    ASP  23           H        ASP  23  -2.425  20.677  20.677
  180    HA   ASP  23           HA       ASP  23  -5.218  20.483  20.483
  181   1HB   ASP  23          2HB       ASP  23  -2.841  18.626  18.626
  182   2HB   ASP  23          1HB       ASP  23  -4.444  18.044  18.044
  183    H    LYS  24           H        LYS  24  -6.785  18.968  18.968
  184    HA   LYS  24           HA       LYS  24  -6.748  18.745  18.745
  185   1HB   LYS  24          2HB       LYS  24  -8.479  17.595  17.595
  186   2HB   LYS  24          1HB       LYS  24  -8.862  17.427  17.427
  187   1HG   LYS  24          2HG       LYS  24  -9.676  19.523  19.523
  188   2HG   LYS  24          1HG       LYS  24  -8.210  20.179  20.179
  189   1HD   LYS  24          2HD       LYS  24  -9.865  20.725  20.725
  190   2HD   LYS  24          1HD       LYS  24  -9.177  19.237  19.237
  191   1HE   LYS  24          2HE       LYS  24 -11.003  17.927  17.927
  192   2HE   LYS  24          1HE       LYS  24 -11.697  19.419  19.419
  193   1HZ   LYS  24          1HZ       LYS  24 -11.526  20.262  20.262
  194   2HZ   LYS  24          3HZ       LYS  24 -11.406  18.626  18.626
  195   3HZ   LYS  24          2HZ       LYS  24 -12.789  19.191  19.191
  196    H    HIS  25           H        HIS  25  -7.490  15.921  15.921
  197    HA   HIS  25           HA       HIS  25  -5.437  14.387  14.387
  198   1HB   HIS  25          2HB       HIS  25  -8.076  13.466  13.466
  199   2HB   HIS  25          1HB       HIS  25  -7.030  12.547  12.547
  200    HD1  HIS  25           HD1      HIS  25 -10.082  13.811  13.811
  201    HD2  HIS  25           HD2      HIS  25  -6.501  14.954  14.954
  202    HE1  HIS  25           HE1      HIS  25 -10.708  14.981  14.981
  203    H    LYS  26           H        LYS  26  -4.385  15.463  15.463
  204    HA   LYS  26           HA       LYS  26  -3.999  13.117  13.117
  205   1HB   LYS  26          2HB       LYS  26  -5.952  14.711  14.711
  206   2HB   LYS  26          1HB       LYS  26  -4.636  15.760  15.760
  207   1HG   LYS  26          2HG       LYS  26  -4.781  12.834  12.834
  208   2HG   LYS  26          1HG       LYS  26  -5.520  14.103  14.103
  209   1HD   LYS  26          2HD       LYS  26  -2.863  14.930  14.930
  210   2HD   LYS  26          1HD       LYS  26  -2.784  13.285  13.285
  211   1HE   LYS  26          2HE       LYS  26  -2.637  14.718  14.718
  212   2HE   LYS  26          1HE       LYS  26  -4.312  14.129  14.129
  213   1HZ   LYS  26          2HZ       LYS  26  -3.448  16.623  16.623
  214   2HZ   LYS  26          1HZ       LYS  26  -4.086  16.601  16.601
  215   3HZ   LYS  26          3HZ       LYS  26  -5.039  16.089  16.089
  216    H    LEU  27           H        LEU  27  -1.967  13.192  13.192
  217    HA   LEU  27           HA       LEU  27  -0.294  15.615  15.615
  218   1HB   LEU  27          2HB       LEU  27   1.329  13.249  13.249
  219   2HB   LEU  27          1HB       LEU  27   1.099  14.406  14.406
  220    HG   LEU  27           HG       LEU  27  -0.957  12.292  12.292
  221   1HD1  LEU  27          1HD1      LEU  27   1.639  11.577  11.577
  222   2HD1  LEU  27          3HD1      LEU  27   1.111  11.726  11.726
  223   3HD1  LEU  27          2HD1      LEU  27   0.274  10.625  10.625
  224   1HD2  LEU  27          2HD2      LEU  27  -0.206  14.211  14.211
  225   2HD2  LEU  27          1HD2      LEU  27  -1.800  13.610  13.610
  226   3HD2  LEU  27          3HD2      LEU  27  -0.738  12.624  12.624
  227    H    LYS  28           H        LYS  28   1.906  15.170  15.170
  228    HA   LYS  28           HA       LYS  28   1.094  14.085  14.085
  229   1HB   LYS  28          2HB       LYS  28   1.152  16.740  16.740
  230   2HB   LYS  28          1HB       LYS  28   2.777  16.505  16.505
  231   1HG   LYS  28          2HG       LYS  28   1.914  15.685  15.685
  232   2HG   LYS  28          1HG       LYS  28   0.274  15.601  15.601
  233   1HD   LYS  28          2HD       LYS  28  -0.043  17.686  17.686
  234   2HD   LYS  28          1HD       LYS  28   1.076  18.247  18.247
  235   1HE   LYS  28          2HE       LYS  28   2.766  18.577  18.577
  236   2HE   LYS  28          1HE       LYS  28   2.373  17.100  17.100
  237   1HZ   LYS  28          3HZ       LYS  28   0.373  19.215  19.215
  238   2HZ   LYS  28          2HZ       LYS  28   1.797  19.528  19.528
  239   3HZ   LYS  28          1HZ       LYS  28   0.856  18.161  18.161
  240    H    LYS  29           H        LYS  29   3.214  14.170  14.170
  241    HA   LYS  29           HA       LYS  29   5.121  12.344  12.344
  242   1HB   LYS  29          2HB       LYS  29   5.386  14.845  14.845
  243   2HB   LYS  29          1HB       LYS  29   6.622  13.588  13.588
  244   1HG   LYS  29          2HG       LYS  29   5.324  12.059  12.059
  245   2HG   LYS  29          1HG       LYS  29   3.810  12.736  12.736
  246   1HD   LYS  29          2HD       LYS  29   4.684  14.842  14.842
  247   2HD   LYS  29          1HD       LYS  29   5.434  13.534  13.534
  248   1HE   LYS  29          2HE       LYS  29   3.112  12.403  12.403
  249   2HE   LYS  29          1HE       LYS  29   2.493  13.990  13.990
  250   1HZ   LYS  29          2HZ       LYS  29   3.952  14.857  14.857
  251   2HZ   LYS  29          1HZ       LYS  29   3.911  13.258  13.258
  252   3HZ   LYS  29          3HZ       LYS  29   2.467  14.130  14.130
  253    H    SER  30           H        SER  30   5.027  15.806  15.806
  254    HA   SER  30           HA       SER  30   7.625  16.002  16.002
  255   1HB   SER  30          2HB       SER  30   5.151  17.587  17.587
  256   2HB   SER  30          1HB       SER  30   6.824  18.139  18.139
  257    HG   SER  30           HG       SER  30   6.217  18.810  18.810
  258    H    GLU  31           H        GLU  31   4.377  15.838  15.838
  259    HA   GLU  31           HA       GLU  31   5.360  15.336  15.336
  260   1HB   GLU  31          2HB       GLU  31   2.734  14.434  14.434
  261   2HB   GLU  31          1HB       GLU  31   3.042  14.836  14.836
  262   1HG   GLU  31          2HG       GLU  31   3.855  17.071  17.071
  263   2HG   GLU  31          1HG       GLU  31   2.247  16.592  16.592
  264    H    LEU  32           H        LEU  32   4.380  13.237  13.237
  265    HA   LEU  32           HA       LEU  32   4.532  10.720  10.720
  266   1HB   LEU  32          2HB       LEU  32   3.683  11.382  11.382
  267   2HB   LEU  32          1HB       LEU  32   5.368  11.342  11.342
  268    HG   LEU  32           HG       LEU  32   5.571   9.014   9.014
  269   1HD1  LEU  32          1HD1      LEU  32   3.062   9.513   9.513
  270   2HD1  LEU  32          3HD1      LEU  32   3.352   7.895   7.895
  271   3HD1  LEU  32          2HD1      LEU  32   4.513   8.626   8.626
  272   1HD2  LEU  32          2HD2      LEU  32   4.062   9.834   9.834
  273   2HD2  LEU  32          1HD2      LEU  32   4.136   8.119   8.119
  274   3HD2  LEU  32          3HD2      LEU  32   2.764   9.090   9.090
  275    H    LYS  33           H        LYS  33   7.087  12.468  12.468
  276    HA   LYS  33           HA       LYS  33   9.195  10.636  10.636
  277   1HB   LYS  33          2HB       LYS  33   8.891  13.082  13.082
  278   2HB   LYS  33          1HB       LYS  33   9.753  13.545  13.545
  279   1HG   LYS  33          2HG       LYS  33  10.660  11.598  11.598
  280   2HG   LYS  33          1HG       LYS  33  11.432  13.110  13.110
  281   1HD   LYS  33          2HD       LYS  33  11.956  12.191  12.191
  282   2HD   LYS  33          1HD       LYS  33  11.109  10.694  10.694
  283   1HE   LYS  33          2HE       LYS  33  13.524  10.374  10.374
  284   2HE   LYS  33          1HE       LYS  33  12.723  10.359  10.359
  285   1HZ   LYS  33          1HZ       LYS  33  13.580  12.929  12.929
  286   2HZ   LYS  33          3HZ       LYS  33  14.757  11.928  11.928
  287   3HZ   LYS  33          2HZ       LYS  33  13.437  12.461  12.461
  288    H    GLU  34           H        GLU  34   8.637  13.499  13.499
  289    HA   GLU  34           HA       GLU  34  10.392  12.934  12.934
  290   1HB   GLU  34          2HB       GLU  34   8.477  14.760  14.760
  291   2HB   GLU  34          1HB       GLU  34   7.571  13.722  13.722
  292   1HG   GLU  34          2HG       GLU  34   9.044  14.113  14.113
  293   2HG   GLU  34          1HG       GLU  34  10.365  14.589  14.589
  294    H    LEU  35           H        LEU  35   7.160  11.633  11.633
  295    HA   LEU  35           HA       LEU  35   6.679  10.104  10.104
  296   1HB   LEU  35          2HB       LEU  35   5.633  10.458  10.458
  297   2HB   LEU  35          1HB       LEU  35   6.162   8.776   8.776
  298    HG   LEU  35           HG       LEU  35   4.883   9.353   9.353
  299   1HD1  LEU  35          2HD1      LEU  35   3.801  10.937  10.937
  300   2HD1  LEU  35          1HD1      LEU  35   2.901   9.456   9.456
  301   3HD1  LEU  35          3HD1      LEU  35   2.840  10.202  10.202
  302   1HD2  LEU  35          1HD2      LEU  35   5.350   7.141   7.141
  303   2HD2  LEU  35          3HD2      LEU  35   3.739   7.320   7.320
  304   3HD2  LEU  35          2HD2      LEU  35   3.966   7.538   7.538
  305    H    ILE  36           H        ILE  36   8.389   9.005   9.005
  306    HA   ILE  36           HA       ILE  36   9.237   6.538   6.538
  307    HB   ILE  36           HB       ILE  36   9.594   7.986   7.986
  308   1HG1  ILE  36          2HG1      ILE  36   8.693   5.895   5.895
  309   2HG1  ILE  36          1HG1      ILE  36   8.830   5.138   5.138
  310   1HG2  ILE  36          2HG2      ILE  36  11.354   5.744   5.744
  311   2HG2  ILE  36          1HG2      ILE  36  11.094   6.037   6.037
  312   3HG2  ILE  36          3HG2      ILE  36  11.849   7.278   7.278
  313   1HD1  ILE  36          3HD1      ILE  36   7.156   7.596   7.596
  314   2HD1  ILE  36          2HD1      ILE  36   6.515   5.954   5.954
  315   3HD1  ILE  36          1HD1      ILE  36   7.209   6.677   6.677
  316    H    ASN  37           H        ASN  37  10.526   9.778   9.778
  317    HA   ASN  37           HA       ASN  37  13.297   9.054   9.054
  318   1HB   ASN  37          2HB       ASN  37  13.038  10.937  10.937
  319   2HB   ASN  37          1HB       ASN  37  11.677  11.537  11.537
  320   1HD2  ASN  37          2HD2      ASN  37  13.771  13.602  13.602
  321   2HD2  ASN  37          1HD2      ASN  37  12.238  13.322  13.322
  322    H    ASN  38           H        ASN  38  10.513  10.258  10.258
  323    HA   ASN  38           HA       ASN  38  12.040  10.799  10.799
  324   1HB   ASN  38          2HB       ASN  38   9.179  10.645  10.645
  325   2HB   ASN  38          1HB       ASN  38   9.515  10.613  10.613
  326   1HD2  ASN  38          2HD2      ASN  38   9.385  14.171  14.171
  327   2HD2  ASN  38          1HD2      ASN  38   8.494  12.806  12.806
  328    H    GLU  39           H        GLU  39  10.919   7.987   7.987
  329    HA   GLU  39           HA       GLU  39  11.025   6.376   6.376
  330   1HB   GLU  39          2HB       GLU  39   9.634   4.803   4.803
  331   2HB   GLU  39          1HB       GLU  39   8.912   6.408   6.408
  332   1HG   GLU  39          2HG       GLU  39   9.906   6.838   6.838
  333   2HG   GLU  39          1HG       GLU  39  10.575   5.208   5.208
  334    H    LEU  40           H        LEU  40  12.047   6.480   6.480
  335    HA   LEU  40           HA       LEU  40  14.207   4.508   4.508
  336   1HB   LEU  40          2HB       LEU  40  12.757   4.986   4.986
  337   2HB   LEU  40          1HB       LEU  40  13.932   3.708   3.708
  338    HG   LEU  40           HG       LEU  40  11.735   3.817   3.817
  339   1HD1  LEU  40          2HD1      LEU  40  10.568   4.467   4.467
  340   2HD1  LEU  40          1HD1      LEU  40  11.142   2.962   2.962
  341   3HD1  LEU  40          3HD1      LEU  40  10.033   2.919   2.919
  342   1HD2  LEU  40          3HD2      LEU  40  13.527   2.032   2.032
  343   2HD2  LEU  40          2HD2      LEU  40  11.870   1.432   1.432
  344   3HD2  LEU  40          1HD2      LEU  40  12.696   1.562   1.562
  345    H    SER  41           H        SER  41  14.985   7.008   7.008
  346    HA   SER  41           HA       SER  41  15.786   8.854   8.854
  347   1HB   SER  41          2HB       SER  41  17.478   7.722   7.722
  348   2HB   SER  41          1HB       SER  41  17.632   9.327   9.327
  349    HG   SER  41           HG       SER  41  16.119   9.935   9.935
  350    H    HIS  42           H        HIS  42  17.335   5.713   5.713
  351    HA   HIS  42           HA       HIS  42  19.654   5.918   5.918
  352   1HB   HIS  42          2HB       HIS  42  17.814   3.819   3.819
  353   2HB   HIS  42          1HB       HIS  42  18.749   3.357   3.357
  354    HD1  HIS  42           HD1      HIS  42  20.911   2.298   2.298
  355    HD2  HIS  42           HD2      HIS  42  19.785   5.180   5.180
  356    HE1  HIS  42           HE1      HIS  42  22.735   2.345   2.345
  357    H    PHE  43           H        PHE  43  16.300   5.600   5.600
  358    HA   PHE  43           HA       PHE  43  16.917   5.037   5.037
  359   1HB   PHE  43          2HB       PHE  43  14.532   5.585   5.585
  360   2HB   PHE  43          1HB       PHE  43  14.361   5.834   5.834
  361    HD1  PHE  43           HD1      PHE  43  16.862   3.377   3.377
  362    HD2  PHE  43           HD2      PHE  43  12.603   3.913   3.913
  363    HE1  PHE  43           HE1      PHE  43  16.528   0.953   0.953
  364    HE2  PHE  43           HE2      PHE  43  12.277   1.487   1.487
  365    HZ   PHE  43           HZ       PHE  43  14.241   0.003   0.003
  366    H    LEU  44           H        LEU  44  16.883   7.848   7.848
  367    HA   LEU  44           HA       LEU  44  16.034   9.916   9.916
  368   1HB   LEU  44          2HB       LEU  44  17.110   9.843   9.843
  369   2HB   LEU  44          1HB       LEU  44  18.639  10.017  10.017
  370    HG   LEU  44           HG       LEU  44  17.732  12.046  12.046
  371   1HD1  LEU  44          1HD1      LEU  44  15.308  11.020  11.020
  372   2HD1  LEU  44          3HD1      LEU  44  15.590  12.677  12.677
  373   3HD1  LEU  44          2HD1      LEU  44  15.495  12.315  12.315
  374   1HD2  LEU  44          1HD2      LEU  44  18.431  11.711  11.711
  375   2HD2  LEU  44          3HD2      LEU  44  18.769  13.079  13.079
  376   3HD2  LEU  44          2HD2      LEU  44  17.260  13.023  13.023
  377    H    GLU  45           H        GLU  45  18.905   7.933   7.933
  378    HA   GLU  45           HA       GLU  45  20.144   9.363   9.363
  379   1HB   GLU  45          2HB       GLU  45  20.820   7.518   7.518
  380   2HB   GLU  45          1HB       GLU  45  21.371   6.869   6.869
  381   1HG   GLU  45          2HG       GLU  45  22.686   8.801   8.801
  382   2HG   GLU  45          1HG       GLU  45  21.907   9.730   9.730
  383    H    GLU  46           H        GLU  46  18.151   6.569   6.569
  384    HA   GLU  46           HA       GLU  46  17.003   5.111   5.111
  385   1HB   GLU  46          2HB       GLU  46  17.081   7.538   7.538
  386   2HB   GLU  46          1HB       GLU  46  18.013   6.642   6.642
  387   1HG   GLU  46          2HG       GLU  46  16.053   4.894   4.894
  388   2HG   GLU  46          1HG       GLU  46  15.152   6.278   6.278
  389    H    ILE  47           H        ILE  47  20.020   6.173   6.173
  390    HA   ILE  47           HA       ILE  47  20.739   3.964   3.964
  391    HB   ILE  47           HB       ILE  47  21.963   6.179   6.179
  392   1HG1  ILE  47          2HG1      ILE  47  22.819   4.394   4.394
  393   2HG1  ILE  47          1HG1      ILE  47  24.110   5.247   5.247
  394   1HG2  ILE  47          2HG2      ILE  47  23.017   4.355   4.355
  395   2HG2  ILE  47          1HG2      ILE  47  23.766   5.885   5.885
  396   3HG2  ILE  47          3HG2      ILE  47  22.140   5.866   5.866
  397   1HD1  ILE  47          3HD1      ILE  47  23.634   3.253   3.253
  398   2HD1  ILE  47          2HD1      ILE  47  23.210   2.433   2.433
  399   3HD1  ILE  47          1HD1      ILE  47  24.818   3.126   3.126
  400    H    LYS  48           H        LYS  48  20.868   4.274   4.274
  401    HA   LYS  48           HA       LYS  48  22.351   2.132   2.132
  402   1HB   LYS  48          2HB       LYS  48  20.191   3.765   3.765
  403   2HB   LYS  48          1HB       LYS  48  19.788   2.103   2.103
  404   1HG   LYS  48          2HG       LYS  48  21.050   2.791   2.791
  405   2HG   LYS  48          1HG       LYS  48  22.266   1.997   1.997
  406   1HD   LYS  48          2HD       LYS  48  23.440   3.914   3.914
  407   2HD   LYS  48          1HD       LYS  48  22.094   4.687   4.687
  408   1HE   LYS  48          2HE       LYS  48  21.537   5.873   5.873
  409   2HE   LYS  48          1HE       LYS  48  21.545   4.411   4.411
  410   1HZ   LYS  48          2HZ       LYS  48  23.988   5.817   5.817
  411   2HZ   LYS  48          1HZ       LYS  48  23.317   6.006   6.006
  412   3HZ   LYS  48          3HZ       LYS  48  23.923   4.497   4.497
  413    H    GLU  49           H        GLU  49  19.380   2.020   2.020
  414    HA   GLU  49           HA       GLU  49  19.565  -0.965  -0.965
  415   1HB   GLU  49          2HB       GLU  49  16.998  -0.855  -0.855
  416   2HB   GLU  49          1HB       GLU  49  17.859  -0.489  -0.489
  417   1HG   GLU  49          2HG       GLU  49  17.417   1.790   1.790
  418   2HG   GLU  49          1HG       GLU  49  17.225   1.755   1.755
  419    H    GLN  50           H        GLN  50  20.460  -0.732  -0.732
  420    HA   GLN  50           HA       GLN  50  19.594   0.868   0.868
  421   1HB   GLN  50          2HB       GLN  50  20.705  -1.940  -1.940
  422   2HB   GLN  50          1HB       GLN  50  20.526  -1.067  -1.067
  423   1HG   GLN  50          2HG       GLN  50  21.796   0.585   0.585
  424   2HG   GLN  50          1HG       GLN  50  22.700  -0.904  -0.904
  425   1HE2  GLN  50          2HE2      GLN  50  23.790   0.064   0.064
  426   2HE2  GLN  50          1HE2      GLN  50  23.777  -1.146  -1.146
  427    H    GLU  51           H        GLU  51  18.949  -2.524  -2.524
  428    HA   GLU  51           HA       GLU  51  16.787  -2.417  -2.417
  429   1HB   GLU  51          2HB       GLU  51  17.859  -4.475  -4.475
  430   2HB   GLU  51          1HB       GLU  51  17.105  -4.264  -4.264
  431   1HG   GLU  51          2HG       GLU  51  14.863  -4.229  -4.229
  432   2HG   GLU  51          1HG       GLU  51  15.750  -4.821  -4.821
  433    H    VAL  52           H        VAL  52  16.586  -1.918  -1.918
  434    HA   VAL  52           HA       VAL  52  13.679  -1.781  -1.781
  435    HB   VAL  52           HB       VAL  52  15.527  -0.507  -0.507
  436   1HG1  VAL  52          1HG1      VAL  52  12.769  -1.578  -1.578
  437   2HG1  VAL  52          3HG1      VAL  52  13.671  -1.976  -1.976
  438   3HG1  VAL  52          2HG1      VAL  52  13.438  -0.291  -0.291
  439   1HG2  VAL  52          3HG2      VAL  52  15.481  -3.318  -3.318
  440   2HG2  VAL  52          2HG2      VAL  52  16.672  -2.469  -2.469
  441   3HG2  VAL  52          1HG2      VAL  52  15.209  -3.113  -3.113
  442    H    VAL  53           H        VAL  53  16.335   0.599   0.599
  443    HA   VAL  53           HA       VAL  53  14.903   3.004   3.004
  444    HB   VAL  53           HB       VAL  53  17.353   2.043   2.043
  445   1HG1  VAL  53          3HG1      VAL  53  15.879   4.609   4.609
  446   2HG1  VAL  53          2HG1      VAL  53  17.638   4.687   4.687
  447   3HG1  VAL  53          1HG1      VAL  53  16.864   3.697   3.697
  448   1HG2  VAL  53          3HG2      VAL  53  16.767   3.081   3.081
  449   2HG2  VAL  53          2HG2      VAL  53  18.352   2.686   2.686
  450   3HG2  VAL  53          1HG2      VAL  53  17.700   4.314   4.314
  451    H    ASP  54           H        ASP  54  15.218   0.635   0.635
  452    HA   ASP  54           HA       ASP  54  13.910   2.202   2.202
  453   1HB   ASP  54          2HB       ASP  54  15.227   0.454   0.454
  454   2HB   ASP  54          1HB       ASP  54  14.776  -0.628  -0.628
  455    H    LYS  55           H        LYS  55  12.926  -0.217  -0.217
  456    HA   LYS  55           HA       LYS  55  10.119  -0.256  -0.256
  457   1HB   LYS  55          2HB       LYS  55  11.810  -1.237  -1.237
  458   2HB   LYS  55          1HB       LYS  55  10.054  -1.361  -1.361
  459   1HG   LYS  55          2HG       LYS  55  11.467  -3.348  -3.348
  460   2HG   LYS  55          1HG       LYS  55   9.941  -2.890  -2.890
  461   1HD   LYS  55          2HD       LYS  55  11.187  -1.485  -1.485
  462   2HD   LYS  55          1HD       LYS  55  12.701  -2.012  -2.012
  463   1HE   LYS  55          2HE       LYS  55  12.423  -3.486  -3.486
  464   2HE   LYS  55          1HE       LYS  55  11.821  -4.429  -4.429
  465   1HZ   LYS  55          2HZ       LYS  55   9.590  -3.490  -3.490
  466   2HZ   LYS  55          1HZ       LYS  55  10.207  -2.798  -2.798
  467   3HZ   LYS  55          3HZ       LYS  55  10.169  -4.485  -4.485
  468    H    VAL  56           H        VAL  56  11.673   0.859   0.859
  469    HA   VAL  56           HA       VAL  56   9.705   2.267   2.267
  470    HB   VAL  56           HB       VAL  56  12.596   2.981   2.981
  471   1HG1  VAL  56          1HG1      VAL  56  10.508   4.574   4.574
  472   2HG1  VAL  56          3HG1      VAL  56  11.838   4.228   4.228
  473   3HG1  VAL  56          2HG1      VAL  56  12.156   5.031   5.031
  474   1HG2  VAL  56          1HG2      VAL  56  11.259   1.096   1.096
  475   2HG2  VAL  56          3HG2      VAL  56  12.987   1.438   1.438
  476   3HG2  VAL  56          2HG2      VAL  56  11.967   2.328   2.328
  477    H    MET  57           H        MET  57  11.636   3.525   3.525
  478    HA   MET  57           HA       MET  57  10.189   6.039   6.039
  479   1HB   MET  57          2HB       MET  57  12.069   4.508   4.508
  480   2HB   MET  57          1HB       MET  57  11.445   6.108   6.108
  481   1HG   MET  57          2HG       MET  57  12.345   6.318   6.318
  482   2HG   MET  57          1HG       MET  57  13.591   5.399   5.399
  483   1HE   MET  57          3HE       MET  57  11.052   8.210   8.210
  484   2HE   MET  57          2HE       MET  57  12.026   8.816   8.816
  485   3HE   MET  57          1HE       MET  57  12.081   9.632   9.632
  486    H    GLU  58           H        GLU  58   9.954   2.893   2.893
  487    HA   GLU  58           HA       GLU  58   8.268   3.440   3.440
  488   1HB   GLU  58          2HB       GLU  58   7.987   1.164   1.164
  489   2HB   GLU  58          1HB       GLU  58   9.183   1.225   1.225
  490   1HG   GLU  58          2HG       GLU  58   7.505   1.066   1.066
  491   2HG   GLU  58          1HG       GLU  58   6.208   1.406   1.406
  492    H    THR  59           H        THR  59   7.275   3.009   3.009
  493    HA   THR  59           HA       THR  59   4.499   3.748   3.748
  494    HB   THR  59           HB       THR  59   5.996   3.249   3.249
  495    HG1  THR  59           HG1      THR  59   4.643   1.648   1.648
  496   1HG2  THR  59          1HG2      THR  59   3.098   3.710   3.710
  497   2HG2  THR  59          3HG2      THR  59   3.549   2.722   2.722
  498   3HG2  THR  59          2HG2      THR  59   4.059   4.408   4.408
  499    H    LEU  60           H        LEU  60   7.018   5.123   5.123
  500    HA   LEU  60           HA       LEU  60   5.814   7.487   7.487
  501   1HB   LEU  60          2HB       LEU  60   8.060   6.743   6.743
  502   2HB   LEU  60          1HB       LEU  60   8.650   7.041   7.041
  503    HG   LEU  60           HG       LEU  60   8.397   9.389   9.389
  504   1HD1  LEU  60          1HD1      LEU  60   6.468   8.614   8.614
  505   2HD1  LEU  60          3HD1      LEU  60   7.356  10.117  10.117
  506   3HD1  LEU  60          2HD1      LEU  60   6.369   9.913   9.913
  507   1HD2  LEU  60          1HD2      LEU  60   9.821   7.904   7.904
  508   2HD2  LEU  60          3HD2      LEU  60  10.225   9.476   9.476
  509   3HD2  LEU  60          2HD2      LEU  60   9.191   9.378   9.378
  510    H    ASP  61           H        ASP  61   7.148   6.713   6.713
  511    HA   ASP  61           HA       ASP  61   6.875   9.421   9.421
  512   1HB   ASP  61          2HB       ASP  61   8.365   7.305   7.305
  513   2HB   ASP  61          1HB       ASP  61   6.983   6.927   6.927
  514    H    SER  62           H        SER  62   5.050   6.380   6.380
  515    HA   SER  62           HA       SER  62   2.859   7.656   7.656
  516   1HB   SER  62          2HB       SER  62   1.973   5.262   5.262
  517   2HB   SER  62          1HB       SER  62   3.506   5.442   5.442
  518    HG   SER  62           HG       SER  62   3.290   3.770   3.770
  519    H    ASP  63           H        ASP  63   2.885   5.490   5.490
  520    HA   ASP  63           HA       ASP  63   0.982   5.413   5.413
  521   1HB   ASP  63          2HB       ASP  63   3.375   5.854   5.854
  522   2HB   ASP  63          1HB       ASP  63   2.929   7.560   7.560
  523    H    GLY  64           H        GLY  64  -1.049   6.396   6.396
  524   1HA   GLY  64          2HA       GLY  64  -2.686   8.080   8.080
  525   2HA   GLY  64          1HA       GLY  64  -1.504   9.009   9.009
  526    H    ASP  65           H        ASP  65   0.440   9.634   9.634
  527    HA   ASP  65           HA       ASP  65   1.071  10.970  10.970
  528   1HB   ASP  65          2HB       ASP  65   0.298   9.420   9.420
  529   2HB   ASP  65          1HB       ASP  65  -1.366   9.521   9.521
  530    H    GLY  66           H        GLY  66   0.752  12.759  12.759
  531   1HA   GLY  66          2HA       GLY  66   0.020  14.999  14.999
  532   2HA   GLY  66          1HA       GLY  66  -1.222  14.678  14.678
  533    H    GLU  67           H        GLU  67  -1.396  12.181  12.181
  534    HA   GLU  67           HA       GLU  67  -3.101  13.620  13.620
  535   1HB   GLU  67          2HB       GLU  67  -4.498  13.174  13.174
  536   2HB   GLU  67          1HB       GLU  67  -4.063  11.465  11.465
  537   1HG   GLU  67          2HG       GLU  67  -5.443  11.046  11.046
  538   2HG   GLU  67          1HG       GLU  67  -5.147  12.623  12.623
  539    H    CYS  68           H        CYS  68  -1.331  12.724  12.724
  540    HA   CYS  68           HA       CYS  68  -1.312   9.774   9.774
  541   1HB   CYS  68          2HB       CYS  68   0.795  10.979  10.979
  542   2HB   CYS  68          1HB       CYS  68   0.148  12.087  12.087
  543    HG   CYS  68           HG       CYS  68  -0.159   9.656   9.656
  544    H    ASP  69           H        ASP  69  -3.440   9.394   9.394
  545    HA   ASP  69           HA       ASP  69  -4.239  10.806  10.806
  546   1HB   ASP  69          2HB       ASP  69  -5.637   9.106   9.106
  547   2HB   ASP  69          1HB       ASP  69  -6.413   9.594   9.594
  548    H    PHE  70           H        PHE  70  -5.619   9.359   9.359
  549    HA   PHE  70           HA       PHE  70  -4.455   7.864   7.864
  550   1HB   PHE  70          2HB       PHE  70  -7.026   7.530   7.530
  551   2HB   PHE  70          1HB       PHE  70  -6.601   6.319   6.319
  552    HD1  PHE  70           HD1      PHE  70  -5.160   9.588   9.588
  553    HD2  PHE  70           HD2      PHE  70  -8.641   7.186   7.186
  554    HE1  PHE  70           HE1      PHE  70  -5.833  11.138  11.138
  555    HE2  PHE  70           HE2      PHE  70  -9.314   8.737   8.737
  556    HZ   PHE  70           HZ       PHE  70  -7.905  10.718  10.718
  557    H    GLN  71           H        GLN  71  -5.985   5.755   5.755
  558    HA   GLN  71           HA       GLN  71  -4.209   3.565   3.565
  559   1HB   GLN  71          2HB       GLN  71  -5.440   2.497   2.497
  560   2HB   GLN  71          1HB       GLN  71  -6.574   3.582   3.582
  561   1HG   GLN  71          2HG       GLN  71  -6.983   4.271   4.271
  562   2HG   GLN  71          1HG       GLN  71  -5.568   5.280   5.280
  563   1HE2  GLN  71          2HE2      GLN  71  -4.657   3.642   3.642
  564   2HE2  GLN  71          1HE2      GLN  71  -5.586   4.946   4.946
  565    H    GLU  72           H        GLU  72  -3.885   6.330   6.330
  566    HA   GLU  72           HA       GLU  72  -1.955   5.110   5.110
  567   1HB   GLU  72          2HB       GLU  72  -2.212   8.058   8.058
  568   2HB   GLU  72          1HB       GLU  72  -1.975   7.231   7.231
  569   1HG   GLU  72          2HG       GLU  72  -4.355   6.188   6.188
  570   2HG   GLU  72          1HG       GLU  72  -4.487   7.703   7.703
  571    H    PHE  73           H        PHE  73  -1.871   7.069   7.069
  572    HA   PHE  73           HA       PHE  73   0.965   7.516   7.516
  573   1HB   PHE  73          2HB       PHE  73  -0.216   8.921   8.921
  574   2HB   PHE  73          1HB       PHE  73  -1.427   7.699   7.699
  575    HD1  PHE  73           HD2      PHE  73  -0.508   5.626   5.626
  576    HD2  PHE  73           HD1      PHE  73   1.217   9.554   9.554
  577    HE1  PHE  73           HE2      PHE  73   0.546   5.200   5.200
  578    HE2  PHE  73           HE1      PHE  73   2.265   9.123   9.123
  579    HZ   PHE  73           HZ       PHE  73   1.930   6.950   6.950
  580    H    MET  74           H        MET  74  -1.170   4.943   4.943
  581    HA   MET  74           HA       MET  74   1.052   3.472   3.472
  582   1HB   MET  74          2HB       MET  74  -1.462   3.698   3.698
  583   2HB   MET  74          1HB       MET  74  -1.732   2.438   2.438
  584   1HG   MET  74          2HG       MET  74   0.028   1.060   1.060
  585   2HG   MET  74          1HG       MET  74   0.132   2.286   2.286
  586   1HE   MET  74          1HE       MET  74  -1.954   3.414   3.414
  587   2HE   MET  74          3HE       MET  74  -3.589   2.773   2.773
  588   3HE   MET  74          2HE       MET  74  -2.716   2.479   2.479
  589    H    ALA  75           H        ALA  75  -0.608   3.655   3.655
  590    HA   ALA  75           HA       ALA  75  -0.151   0.994   0.994
  591   1HB   ALA  75          3HB       ALA  75  -0.566   3.747   3.747
  592   2HB   ALA  75          2HB       ALA  75  -0.380   2.329   2.329
  593   3HB   ALA  75          1HB       ALA  75  -1.731   2.424   2.424
  594    H    PHE  76           H        PHE  76   1.630   4.048   4.048
  595    HA   PHE  76           HA       PHE  76   3.844   2.834   2.834
  596   1HB   PHE  76          2HB       PHE  76   3.260   5.121   5.121
  597   2HB   PHE  76          1HB       PHE  76   3.260   5.512   5.512
  598    HD1  PHE  76           HD1      PHE  76   5.575   4.025   4.025
  599    HD2  PHE  76           HD2      PHE  76   5.125   6.604   6.604
  600    HE1  PHE  76           HE1      PHE  76   7.977   4.620   4.620
  601    HE2  PHE  76           HE2      PHE  76   7.528   7.200   7.200
  602    HZ   PHE  76           HZ       PHE  76   8.955   6.206   6.206
  603    H    VAL  77           H        VAL  77   3.246   4.042   4.042
  604    HA   VAL  77           HA       VAL  77   5.871   3.504   3.504
  605    HB   VAL  77           HB       VAL  77   3.593   4.579   4.579
  606   1HG1  VAL  77          3HG1      VAL  77   2.627   2.208   2.208
  607   2HG1  VAL  77          2HG1      VAL  77   3.759   1.975   1.975
  608   3HG1  VAL  77          1HG1      VAL  77   2.516   3.224   3.224
  609   1HG2  VAL  77          2HG2      VAL  77   6.072   3.528   3.528
  610   2HG2  VAL  77          1HG2      VAL  77   5.469   5.184   5.184
  611   3HG2  VAL  77          3HG2      VAL  77   4.779   4.060   4.060
  612    H    ALA  78           H        ALA  78   3.162   1.488   1.488
  613    HA   ALA  78           HA       ALA  78   4.071  -0.934  -0.934
  614   1HB   ALA  78          1HB       ALA  78   2.195  -0.405  -0.405
  615   2HB   ALA  78          3HB       ALA  78   2.326  -1.942  -1.942
  616   3HB   ALA  78          2HB       ALA  78   1.728  -0.515  -0.515
  617    H    MET  79           H        MET  79   4.249   0.342   0.342
  618    HA   MET  79           HA       MET  79   5.691  -1.877  -1.877
  619   1HB   MET  79          2HB       MET  79   4.910   0.881   0.881
  620   2HB   MET  79          1HB       MET  79   6.440   0.405   0.405
  621   1HG   MET  79          2HG       MET  79   4.362  -1.668  -1.668
  622   2HG   MET  79          1HG       MET  79   3.950  -0.187  -0.187
  623   1HE   MET  79          2HE       MET  79   6.051  -3.173  -3.173
  624   2HE   MET  79          1HE       MET  79   7.315  -3.159  -3.159
  625   3HE   MET  79          3HE       MET  79   7.446  -2.112  -2.112
  626    H    ILE  80           H        ILE  80   6.705   1.061   1.061
  627    HA   ILE  80           HA       ILE  80   9.578   0.583   0.583
  628    HB   ILE  80           HB       ILE  80   8.153   2.324   2.324
  629   1HG1  ILE  80          2HG1      ILE  80   7.364   2.549   2.549
  630   2HG1  ILE  80          1HG1      ILE  80   7.907   4.019   4.019
  631   1HG2  ILE  80          2HG2      ILE  80  10.856   2.503   2.503
  632   2HG2  ILE  80          1HG2      ILE  80  10.180   3.760   3.760
  633   3HG2  ILE  80          3HG2      ILE  80  10.555   2.171   2.171
  634   1HD1  ILE  80          1HD1      ILE  80  10.054   2.511   2.511
  635   2HD1  ILE  80          3HD1      ILE  80   8.826   3.153   3.153
  636   3HD1  ILE  80          2HD1      ILE  80   9.711   4.241   4.241
  637    H    THR  81           H        THR  81   7.514   0.737   0.737
  638    HA   THR  81           HA       THR  81   9.124  -0.196  -0.196
  639    HB   THR  81           HB       THR  81   6.274  -0.909  -0.909
  640    HG1  THR  81           HG1      THR  81   6.210   1.113   1.113
  641   1HG2  THR  81          3HG2      THR  81   8.015  -1.907  -1.907
  642   2HG2  THR  81          2HG2      THR  81   6.488  -1.225  -1.225
  643   3HG2  THR  81          1HG2      THR  81   6.483  -2.547  -2.547
  644    H    THR  82           H        THR  82   7.728  -2.192  -2.192
  645    HA   THR  82           HA       THR  82   8.793  -4.655  -4.655
  646    HB   THR  82           HB       THR  82   7.996  -5.455  -5.455
  647    HG1  THR  82           HG1      THR  82   6.212  -3.944  -3.944
  648   1HG2  THR  82          3HG2      THR  82   6.493  -4.720  -4.720
  649   2HG2  THR  82          2HG2      THR  82   5.543  -5.139  -5.139
  650   3HG2  THR  82          1HG2      THR  82   6.696  -6.300  -6.300
  651    H    ALA  83           H        ALA  83   9.766  -2.285  -2.285
  652    HA   ALA  83           HA       ALA  83  11.942  -3.961  -3.961
  653   1HB   ALA  83          3HB       ALA  83  10.396  -1.722  -1.722
  654   2HB   ALA  83          2HB       ALA  83  12.051  -1.136  -1.136
  655   3HB   ALA  83          1HB       ALA  83  11.695  -2.484  -2.484
  656    H    CYS  84           H        CYS  84  11.450  -2.199  -2.199
  657    HA   CYS  84           HA       CYS  84  13.985  -0.826  -0.826
  658   1HB   CYS  84          2HB       CYS  84  12.159  -0.058  -0.058
  659   2HB   CYS  84          1HB       CYS  84  11.742  -1.689  -1.689
  660    HG   CYS  84           HG       CYS  84  14.352  -0.255  -0.255
  661    H    HIS  85           H        HIS  85  13.095  -3.186  -3.186
  662    HA   HIS  85           HA       HIS  85  15.079  -5.168  -5.168
  663   1HB   HIS  85          2HB       HIS  85  16.050  -2.828  -2.828
  664   2HB   HIS  85          1HB       HIS  85  15.958  -3.906  -3.906
  665    HD1  HIS  85           HD1      HIS  85  18.670  -3.007  -3.007
  666    HD2  HIS  85           HD2      HIS  85  16.706  -6.635  -6.635
  667    HE1  HIS  85           HE1      HIS  85  20.417  -4.637  -4.637
  668    H    GLU  86           H        GLU  86  15.739  -5.938  -5.938
  669    HA   GLU  86           HA       GLU  86  14.818  -7.194  -7.194
  670   1HB   GLU  86          2HB       GLU  86  13.429  -4.838  -4.838
  671   2HB   GLU  86          1HB       GLU  86  12.132  -6.021  -6.021
  672   1HG   GLU  86          2HG       GLU  86  12.567  -5.349  -5.349
  673   2HG   GLU  86          1HG       GLU  86  12.749  -7.081  -7.081
  674    H    PHE  87           H        PHE  87  11.876  -7.971  -7.971
  675    HA   PHE  87           HA       PHE  87  12.002 -10.436 -10.436
  676   1HB   PHE  87          2HB       PHE  87  10.139 -10.068 -10.068
  677   2HB   PHE  87          1HB       PHE  87   9.702  -8.561  -8.561
  678    HD1  PHE  87           HD2      PHE  87  10.122 -12.223 -12.223
  679    HD2  PHE  87           HD1      PHE  87   8.030  -8.605  -8.605
  680    HE1  PHE  87           HE2      PHE  87   8.721 -13.480 -13.480
  681    HE2  PHE  87           HE1      PHE  87   6.670  -9.853  -9.853
  682    HZ   PHE  87           HZ       PHE  87   7.002 -12.294 -12.294
  683    H    PHE  88           H        PHE  88  10.032  -7.768  -7.768
  684    HA   PHE  88           HA       PHE  88   9.600  -8.546  -8.546
  685   1HB   PHE  88          2HB       PHE  88  10.386  -5.875  -5.875
  686   2HB   PHE  88          1HB       PHE  88   9.909  -6.055  -6.055
  687    HD1  PHE  88           HD1      PHE  88   7.951  -8.492  -8.492
  688    HD2  PHE  88           HD2      PHE  88   8.409  -4.367  -4.367
  689    HE1  PHE  88           HE1      PHE  88   5.575  -8.407  -8.407
  690    HE2  PHE  88           HE2      PHE  88   6.029  -4.287  -4.287
  691    HZ   PHE  88           HZ       PHE  88   4.606  -6.304  -6.304
  692    H    GLU  89           H        GLU  89  10.934  -9.314  -9.314
  693    HA   GLU  89           HA       GLU  89  13.725  -8.216  -8.216
  694   1HB   GLU  89          2HB       GLU  89  13.156 -10.680 -10.680
  695   2HB   GLU  89          1HB       GLU  89  12.971 -10.967 -10.967
  696   1HG   GLU  89          2HG       GLU  89  15.230 -11.381 -11.381
  697   2HG   GLU  89          1HG       GLU  89  15.292  -9.637  -9.637
  698    H    HIS  90           H        HIS  90  11.045  -9.696  -9.696
  699    HA   HIS  90           HA       HIS  90  11.431  -7.848  -7.848
  700   1HB   HIS  90          2HB       HIS  90  13.155  -9.982  -9.982
  701   2HB   HIS  90          1HB       HIS  90  11.848 -10.630 -10.630
  702    HD1  HIS  90           HD1      HIS  90  14.725  -8.346  -8.346
  703    HD2  HIS  90           HD2      HIS  90  11.268  -8.954  -8.954
  704    HE1  HIS  90           HE1      HIS  90  15.076  -7.132  -7.132
  705    H    GLU  91           H        GLU  91   9.183  -7.497  -7.497
  706    HA   GLU  91           HA       GLU  91   7.091  -9.283  -9.283
  707   1HB   GLU  91          2HB       GLU  91   6.706  -6.935  -6.935
  708   2HB   GLU  91          1HB       GLU  91   7.426  -6.923  -6.923
  709   1HG   GLU  91          2HG       GLU  91   5.586  -8.043  -8.043
  710   2HG   GLU  91          1HG       GLU  91   4.997  -8.607  -8.607
  711   1H    MET   0          3H        MET   0   8.578  10.379  10.379
  712   2H    MET   0          2H        MET   0  10.182  10.909  10.909
  713   3H    MET   0          1H        MET   0   8.923  12.040  12.040
  714    HA   MET   0           HA       MET   0   8.048  11.484  11.484
  715   1HB   MET   0          2HB       MET   0  10.026  12.149  12.149
  716   2HB   MET   0          1HB       MET   0   9.972  13.038  13.038
  717   1HG   MET   0          2HG       MET   0  11.738  11.832  11.832
  718   2HG   MET   0          1HG       MET   0  11.469  10.440  10.440
  719   1HE   MET   0          1HE       MET   0  13.461   9.948   9.948
  720   2HE   MET   0          3HE       MET   0  14.486  10.688  10.688
  721   3HE   MET   0          2HE       MET   0  14.652  11.164  11.164
  722    H    SER   1           H        SER   1  10.190   9.118   9.118
  723    HA   SER   1           HA       SER   1  10.381   7.471   7.471
  724   1HB   SER   1          2HB       SER   1  10.921   6.605   6.605
  725   2HB   SER   1          1HB       SER   1  11.756   6.121   6.121
  726    HG   SER   1           HG       SER   1  12.732   7.790   7.790
  727    H    GLU   2           H        GLU   2   7.907   8.086   8.086
  728    HA   GLU   2           HA       GLU   2   6.712   5.765   5.765
  729   1HB   GLU   2          2HB       GLU   2   5.525   8.114   8.114
  730   2HB   GLU   2          1HB       GLU   2   4.549   6.927   6.927
  731   1HG   GLU   2          2HG       GLU   2   6.312   7.531   7.531
  732   2HG   GLU   2          1HG       GLU   2   6.323   9.061   9.061
  733    H    LEU   3           H        LEU   3   6.808   6.917   6.917
  734    HA   LEU   3           HA       LEU   3   5.149   4.893   4.893
  735   1HB   LEU   3          2HB       LEU   3   7.311   6.770   6.770
  736   2HB   LEU   3          1HB       LEU   3   6.688   5.572   5.572
  737    HG   LEU   3           HG       LEU   3   4.532   6.888   6.888
  738   1HD1  LEU   3          3HD1      LEU   3   6.734   8.547   8.547
  739   2HD1  LEU   3          2HD1      LEU   3   5.131   8.995   8.995
  740   3HD1  LEU   3          1HD1      LEU   3   5.464   8.966   8.966
  741   1HD2  LEU   3          1HD2      LEU   3   5.330   6.712   6.712
  742   2HD2  LEU   3          3HD2      LEU   3   4.245   5.610   5.610
  743   3HD2  LEU   3          2HD2      LEU   3   3.770   7.288   7.288
  744    H    GLU   4           H        GLU   4   8.740   5.105   5.105
  745    HA   GLU   4           HA       GLU   4   9.316   2.552   2.552
  746   1HB   GLU   4          2HB       GLU   4  11.058   4.153   4.153
  747   2HB   GLU   4          1HB       GLU   4  10.660   4.326   4.326
  748   1HG   GLU   4          2HG       GLU   4  12.609   2.954   2.954
  749   2HG   GLU   4          1HG       GLU   4  11.270   1.849   1.849
  750    H    LYS   5           H        LYS   5   8.420   3.532   3.532
  751    HA   LYS   5           HA       LYS   5   8.901   0.977   0.977
  752   1HB   LYS   5          2HB       LYS   5   6.882   3.066   3.066
  753   2HB   LYS   5          1HB       LYS   5   7.900   2.057   2.057
  754   1HG   LYS   5          2HG       LYS   5   9.665   3.543   3.543
  755   2HG   LYS   5          1HG       LYS   5   8.460   4.681   4.681
  756   1HD   LYS   5          2HD       LYS   5   9.869   2.721   2.721
  757   2HD   LYS   5          1HD       LYS   5  10.508   4.332   4.332
  758   1HE   LYS   5          2HE       LYS   5   8.562   5.393   5.393
  759   2HE   LYS   5          1HE       LYS   5   7.694   3.848   3.848
  760   1HZ   LYS   5          1HZ       LYS   5   9.601   3.043   3.043
  761   2HZ   LYS   5          3HZ       LYS   5  10.125   4.653   4.653
  762   3HZ   LYS   5          2HZ       LYS   5   8.611   4.212   4.212
  763    H    ALA   6           H        ALA   6   6.048   2.554   2.554
  764    HA   ALA   6           HA       ALA   6   4.212   0.395   0.395
  765   1HB   ALA   6          1HB       ALA   6   4.356   2.718   2.718
  766   2HB   ALA   6          3HB       ALA   6   3.006   1.583   1.583
  767   3HB   ALA   6          2HB       ALA   6   3.311   2.532   2.532
  768    H    VAL   7           H        VAL   7   6.626   1.043   1.043
  769    HA   VAL   7           HA       VAL   7   5.783  -0.853  -0.853
  770    HB   VAL   7           HB       VAL   7   8.196   0.742   0.742
  771   1HG1  VAL   7          1HG1      VAL   7   8.255  -1.749  -1.749
  772   2HG1  VAL   7          3HG1      VAL   7   8.901  -0.383  -0.383
  773   3HG1  VAL   7          2HG1      VAL   7   9.585  -0.798  -0.798
  774   1HG2  VAL   7          1HG2      VAL   7   6.195   0.646   0.646
  775   2HG2  VAL   7          3HG2      VAL   7   6.792   2.033   2.033
  776   3HG2  VAL   7          2HG2      VAL   7   7.794   1.306   1.306
  777    H    VAL   8           H        VAL   8   8.177  -0.960  -0.960
  778    HA   VAL   8           HA       VAL   8   9.022  -3.667  -3.667
  779    HB   VAL   8           HB       VAL   8   9.042  -1.571  -1.571
  780   1HG1  VAL   8          1HG1      VAL   8   8.340  -3.590  -3.590
  781   2HG1  VAL   8          3HG1      VAL   8   9.722  -4.467  -4.467
  782   3HG1  VAL   8          2HG1      VAL   8   9.979  -3.095  -3.095
  783   1HG2  VAL   8          1HG2      VAL   8  10.786  -2.385  -2.385
  784   2HG2  VAL   8          3HG2      VAL   8  11.284  -1.574  -1.574
  785   3HG2  VAL   8          2HG2      VAL   8  11.362  -3.333  -3.333
  786    H    ALA   9           H        ALA   9   6.200  -2.226  -2.226
  787    HA   ALA   9           HA       ALA   9   5.312  -4.578  -4.578
  788   1HB   ALA   9          3HB       ALA   9   4.021  -2.048  -2.048
  789   2HB   ALA   9          2HB       ALA   9   3.100  -3.259  -3.259
  790   3HB   ALA   9          1HB       ALA   9   4.453  -2.433  -2.433
  791    H    LEU  10           H        LEU  10   4.871  -3.337  -3.337
  792    HA   LEU  10           HA       LEU  10   2.880  -5.346  -5.346
  793   1HB   LEU  10          2HB       LEU  10   4.638  -3.432  -3.432
  794   2HB   LEU  10          1HB       LEU  10   3.277  -4.336  -4.336
  795    HG   LEU  10           HG       LEU  10   3.164  -2.253  -2.253
  796   1HD1  LEU  10          1HD1      LEU  10   1.974  -2.356  -2.356
  797   2HD1  LEU  10          3HD1      LEU  10   1.726  -1.060  -1.060
  798   3HD1  LEU  10          2HD1      LEU  10   3.332  -1.350  -1.350
  799   1HD2  LEU  10          1HD2      LEU  10   1.311  -4.417  -4.417
  800   2HD2  LEU  10          3HD2      LEU  10   1.425  -3.538  -3.538
  801   3HD2  LEU  10          2HD2      LEU  10   0.574  -2.822  -2.822
  802    H    ILE  11           H        ILE  11   6.378  -4.835  -4.835
  803    HA   ILE  11           HA       ILE  11   6.796  -7.086  -7.086
  804    HB   ILE  11           HB       ILE  11   9.112  -6.793  -6.793
  805   1HG1  ILE  11          2HG1      ILE  11   8.258  -5.328  -5.328
  806   2HG1  ILE  11          1HG1      ILE  11   8.731  -7.024  -7.024
  807   1HG2  ILE  11          1HG2      ILE  11   7.404  -4.534  -4.534
  808   2HG2  ILE  11          3HG2      ILE  11   8.710  -4.051  -4.051
  809   3HG2  ILE  11          2HG2      ILE  11   9.082  -4.742  -4.742
  810   1HD1  ILE  11          3HD1      ILE  11  10.554  -5.029  -5.029
  811   2HD1  ILE  11          2HD1      ILE  11  10.518  -5.132  -5.132
  812   3HD1  ILE  11          1HD1      ILE  11  10.940  -6.551  -6.551
  813    H    ASP  12           H        ASP  12   6.660  -6.847  -6.847
  814    HA   ASP  12           HA       ASP  12   7.445  -9.570  -9.570
  815   1HB   ASP  12          2HB       ASP  12   6.631  -7.170  -7.170
  816   2HB   ASP  12          1HB       ASP  12   5.685  -8.520  -8.520
  817    H    VAL  13           H        VAL  13   4.267  -7.941  -7.941
  818    HA   VAL  13           HA       VAL  13   2.537 -10.058 -10.058
  819    HB   VAL  13           HB       VAL  13   2.361  -7.943  -7.943
  820   1HG1  VAL  13          1HG1      VAL  13   0.641  -9.718  -9.718
  821   2HG1  VAL  13          3HG1      VAL  13   0.201  -9.433  -9.433
  822   3HG1  VAL  13          2HG1      VAL  13  -0.067  -8.178  -8.178
  823   1HG2  VAL  13          3HG2      VAL  13   2.704  -7.589  -7.589
  824   2HG2  VAL  13          2HG2      VAL  13   1.990  -6.408  -6.408
  825   3HG2  VAL  13          1HG2      VAL  13   0.953  -7.510  -7.510
  826    H    PHE  14           H        PHE  14   3.712  -9.157  -9.157
  827    HA   PHE  14           HA       PHE  14   2.755 -11.335 -11.335
  828   1HB   PHE  14          2HB       PHE  14   4.937  -9.372  -9.372
  829   2HB   PHE  14          1HB       PHE  14   5.337 -10.922 -10.922
  830    HD1  PHE  14           HD2      PHE  14   3.772 -11.987 -11.987
  831    HD2  PHE  14           HD1      PHE  14   3.317  -7.921  -7.921
  832    HE1  PHE  14           HE2      PHE  14   2.326 -11.521 -11.521
  833    HE2  PHE  14           HE1      PHE  14   1.883  -7.454  -7.454
  834    HZ   PHE  14           HZ       PHE  14   1.370  -9.251  -9.251
  835    H    HIS  15           H        HIS  15   5.924 -11.130 -11.130
  836    HA   HIS  15           HA       HIS  15   7.089 -13.568 -13.568
  837   1HB   HIS  15          2HB       HIS  15   7.807 -11.751 -11.751
  838   2HB   HIS  15          1HB       HIS  15   6.649 -12.399 -12.399
  839    HD1  HIS  15           HD1      HIS  15  10.029 -12.954 -12.954
  840    HD2  HIS  15           HD2      HIS  15   7.276 -15.115 -15.115
  841    HE1  HIS  15           HE1      HIS  15  11.296 -14.909 -14.909
  842    H    GLN  16           H        GLN  16   4.357 -12.962 -12.962
  843    HA   GLN  16           HA       GLN  16   4.007 -15.849 -15.849
  844   1HB   GLN  16          2HB       GLN  16   2.475 -13.333 -13.333
  845   2HB   GLN  16          1HB       GLN  16   2.144 -14.947 -14.947
  846   1HG   GLN  16          2HG       GLN  16   3.866 -14.832 -14.832
  847   2HG   GLN  16          1HG       GLN  16   4.970 -14.237 -14.237
  848   1HE2  GLN  16          2HE2      GLN  16   2.661 -11.291 -11.291
  849   2HE2  GLN  16          1HE2      GLN  16   1.922 -12.719 -12.719
  850    H    TYR  17           H        TYR  17   1.737 -13.297 -13.297
  851    HA   TYR  17           HA       TYR  17  -0.351 -14.616 -14.616
  852   1HB   TYR  17          2HB       TYR  17   1.203 -12.176 -12.176
  853   2HB   TYR  17          1HB       TYR  17  -0.076 -12.710 -12.710
  854    HD1  TYR  17           HD1      TYR  17   0.676 -11.661 -11.661
  855    HD2  TYR  17           HD2      TYR  17  -2.404 -12.575 -12.575
  856    HE1  TYR  17           HE1      TYR  17  -1.025 -10.741 -10.741
  857    HE2  TYR  17           HE2      TYR  17  -4.114 -11.668 -11.668
  858    HH   TYR  17           HH       TYR  17  -4.264 -11.341 -11.341
  859    H    SER  18           H        SER  18   2.781 -14.242 -14.242
  860    HA   SER  18           HA       SER  18   1.787 -15.838 -15.838
  861   1HB   SER  18          2HB       SER  18   3.861 -15.157 -15.157
  862   2HB   SER  18          1HB       SER  18   3.263 -13.766 -13.766
  863    HG   SER  18           HG       SER  18   5.437 -15.434 -15.434
  864    H    GLY  19           H        GLY  19   4.257 -16.122 -16.122
  865   1HA   GLY  19          2HA       GLY  19   4.816 -18.902 -18.902
  866   2HA   GLY  19          1HA       GLY  19   5.716 -17.997 -17.997
  867    H    ARG  20           H        ARG  20   2.279 -17.843 -17.843
  868    HA   ARG  20           HA       ARG  20   2.459 -19.582 -19.582
  869   1HB   ARG  20          2HB       ARG  20   0.470 -18.373 -18.373
  870   2HB   ARG  20          1HB       ARG  20   1.641 -17.197 -17.197
  871   1HG   ARG  20          2HG       ARG  20   0.365 -16.656 -16.656
  872   2HG   ARG  20          1HG       ARG  20  -0.230 -18.301 -18.301
  873   1HD   ARG  20          2HD       ARG  20  -1.149 -17.010 -17.010
  874   2HD   ARG  20          1HD       ARG  20  -1.741 -16.239 -16.239
  875    HE   ARG  20           HE       ARG  20  -1.886 -19.152 -19.152
  876   1HH1  ARG  20          2HH1      ARG  20  -3.656 -16.536 -16.536
  877   2HH1  ARG  20          1HH1      ARG  20  -5.145 -17.050 -17.050
  878   1HH2  ARG  20          1HH2      ARG  20  -3.706 -19.702 -19.702
  879   2HH2  ARG  20          2HH2      ARG  20  -5.173 -18.845 -18.845
  880    H    GLU  21           H        GLU  21   1.564 -19.835 -19.835
  881    HA   GLU  21           HA       GLU  21  -0.449 -21.970 -21.970
  882   1HB   GLU  21          2HB       GLU  21  -0.784 -19.585 -19.585
  883   2HB   GLU  21          1HB       GLU  21  -0.549 -20.771 -20.771
  884   1HG   GLU  21          2HG       GLU  21  -2.292 -21.836 -21.836
  885   2HG   GLU  21          1HG       GLU  21  -2.916 -20.303 -20.303
  886    H    GLY  22           H        GLY  22   1.280 -20.997 -20.997
  887   1HA   GLY  22          2HA       GLY  22   3.022 -23.329 -23.329
  888   2HA   GLY  22          1HA       GLY  22   1.694 -23.494 -23.494
  889    H    ASP  23           H        ASP  23   1.501 -20.766 -20.766
  890    HA   ASP  23           HA       ASP  23   3.475 -20.640 -20.640
  891   1HB   ASP  23          2HB       ASP  23   1.473 -18.747 -18.747
  892   2HB   ASP  23          1HB       ASP  23   2.535 -18.208 -18.208
  893    H    LYS  24           H        LYS  24   5.246 -19.109 -19.109
  894    HA   LYS  24           HA       LYS  24   6.839 -18.781 -18.781
  895   1HB   LYS  24          2HB       LYS  24   7.016 -17.744 -17.744
  896   2HB   LYS  24          1HB       LYS  24   8.295 -17.514 -17.514
  897   1HG   LYS  24          2HG       LYS  24   9.042 -19.619 -19.619
  898   2HG   LYS  24          1HG       LYS  24   7.426 -20.280 -20.280
  899   1HD   LYS  24          2HD       LYS  24   7.908 -20.914 -20.914
  900   2HD   LYS  24          1HD       LYS  24   6.962 -19.440 -19.440
  901   1HE   LYS  24          2HE       LYS  24   9.039 -18.123 -18.123
  902   2HE   LYS  24          1HE       LYS  24   9.998 -19.600 -19.600
  903   1HZ   LYS  24          1HZ       LYS  24   8.513 -20.530 -20.530
  904   2HZ   LYS  24          3HZ       LYS  24   8.156 -18.911 -18.911
  905   3HZ   LYS  24          2HZ       LYS  24   9.760 -19.465 -19.465
  906    H    HIS  25           H        HIS  25   6.295 -16.048 -16.048
  907    HA   HIS  25           HA       HIS  25   5.467 -14.422 -14.422
  908   1HB   HIS  25          2HB       HIS  25   6.977 -13.588 -13.588
  909   2HB   HIS  25          1HB       HIS  25   6.716 -12.614 -12.614
  910    HD1  HIS  25           HD1      HIS  25   9.494 -13.908 -13.908
  911    HD2  HIS  25           HD2      HIS  25   7.563 -14.929 -14.929
  912    HE1  HIS  25           HE1      HIS  25  11.235 -15.007 -15.007
  913    H    LYS  26           H        LYS  26   3.354 -15.567 -15.567
  914    HA   LYS  26           HA       LYS  26   2.029 -13.284 -13.284
  915   1HB   LYS  26          2HB       LYS  26   3.240 -14.936 -14.936
  916   2HB   LYS  26          1HB       LYS  26   1.863 -15.988 -15.988
  917   1HG   LYS  26          2HG       LYS  26   1.526 -13.099 -13.099
  918   2HG   LYS  26          1HG       LYS  26   1.593 -14.420 -14.420
  919   1HD   LYS  26          2HD       LYS  26  -0.215 -15.177 -15.177
  920   2HD   LYS  26          1HD       LYS  26  -0.650 -13.557 -13.557
  921   1HE   LYS  26          2HE       LYS  26  -1.838 -15.063 -15.063
  922   2HE   LYS  26          1HE       LYS  26  -0.452 -14.498 -14.498
  923   1HZ   LYS  26          2HZ       LYS  26  -0.373 -16.921 -16.921
  924   2HZ   LYS  26          1HZ       LYS  26  -0.739 -16.973 -16.973
  925   3HZ   LYS  26          3HZ       LYS  26   0.781 -16.425 -16.425
  926    H    LEU  27           H        LEU  27  -0.248 -13.371 -13.371
  927    HA   LEU  27           HA       LEU  27  -1.310 -15.744 -15.744
  928   1HB   LEU  27          2HB       LEU  27  -2.675 -13.354 -13.354
  929   2HB   LEU  27          1HB       LEU  27  -1.740 -14.465 -14.465
  930    HG   LEU  27           HG       LEU  27  -0.346 -12.405 -12.405
  931   1HD1  LEU  27          1HD1      LEU  27  -2.300 -11.643 -11.643
  932   2HD1  LEU  27          3HD1      LEU  27  -0.913 -11.725 -11.725
  933   3HD1  LEU  27          2HD1      LEU  27  -0.857 -10.684 -10.684
  934   1HD2  LEU  27          2HD2      LEU  27   0.246 -14.228 -14.228
  935   2HD2  LEU  27          1HD2      LEU  27   1.304 -13.672 -13.672
  936   3HD2  LEU  27          3HD2      LEU  27   0.985 -12.629 -12.629
  937    H    LYS  28           H        LYS  28  -3.915 -15.314 -15.314
  938    HA   LYS  28           HA       LYS  28  -4.759 -14.351 -14.351
  939   1HB   LYS  28          2HB       LYS  28  -4.396 -16.974 -16.974
  940   2HB   LYS  28          1HB       LYS  28  -6.104 -16.737 -16.737
  941   1HG   LYS  28          2HG       LYS  28  -6.574 -16.015 -16.015
  942   2HG   LYS  28          1HG       LYS  28  -4.857 -15.933 -15.933
  943   1HD   LYS  28          2HD       LYS  28  -5.023 -18.053 -18.053
  944   2HD   LYS  28          1HD       LYS  28  -5.243 -18.545 -18.545
  945   1HE   LYS  28          2HE       LYS  28  -7.481 -18.911 -18.911
  946   2HE   LYS  28          1HE       LYS  28  -7.680 -17.475 -17.475
  947   1HZ   LYS  28          3HZ       LYS  28  -6.030 -19.622 -19.622
  948   2HZ   LYS  28          2HZ       LYS  28  -7.697 -19.939 -19.939
  949   3HZ   LYS  28          1HZ       LYS  28  -7.129 -18.602 -18.602
  950    H    LYS  29           H        LYS  29  -7.337 -14.464 -14.464
  951    HA   LYS  29           HA       LYS  29  -8.470 -12.573 -12.573
  952   1HB   LYS  29          2HB       LYS  29  -9.630 -15.131 -15.131
  953   2HB   LYS  29          1HB       LYS  29 -10.622 -13.849 -13.849
  954   1HG   LYS  29          2HG       LYS  29 -10.200 -12.391 -12.391
  955   2HG   LYS  29          1HG       LYS  29  -8.606 -13.073 -13.073
  956   1HD   LYS  29          2HD       LYS  29 -10.126 -15.216 -15.216
  957   2HD   LYS  29          1HD       LYS  29 -11.271 -13.932 -13.932
  958   1HE   LYS  29          2HE       LYS  29  -9.340 -12.838 -12.838
  959   2HE   LYS  29          1HE       LYS  29  -8.533 -14.414 -14.414
  960   1HZ   LYS  29          2HZ       LYS  29 -10.807 -15.333 -15.333
  961   2HZ   LYS  29          1HZ       LYS  29 -11.107 -13.760 -13.760
  962   3HZ   LYS  29          3HZ       LYS  29  -9.804 -14.651 -14.651
  963    H    SER  30           H        SER  30  -7.938 -16.003 -16.003
  964    HA   SER  30           HA       SER  30  -9.396 -16.111 -16.111
  965   1HB   SER  30          2HB       SER  30  -6.934 -17.704 -17.704
  966   2HB   SER  30          1HB       SER  30  -8.323 -18.231 -18.231
  967    HG   SER  30           HG       SER  30  -8.903 -18.987 -18.987
  968    H    GLU  31           H        GLU  31  -5.850 -15.939 -15.939
  969    HA   GLU  31           HA       GLU  31  -5.173 -15.318 -15.318
  970   1HB   GLU  31          2HB       GLU  31  -3.708 -14.505 -14.505
  971   2HB   GLU  31          1HB       GLU  31  -3.003 -14.836 -14.836
  972   1HG   GLU  31          2HG       GLU  31  -4.541 -17.118 -17.118
  973   2HG   GLU  31          1HG       GLU  31  -3.524 -16.687 -16.687
  974    H    LEU  32           H        LEU  32  -5.900 -13.343 -13.343
  975    HA   LEU  32           HA       LEU  32  -5.308 -10.775 -10.775
  976   1HB   LEU  32          2HB       LEU  32  -5.908 -11.538 -11.538
  977   2HB   LEU  32          1HB       LEU  32  -7.592 -11.494 -11.494
  978    HG   LEU  32           HG       LEU  32  -7.498  -9.145  -9.145
  979   1HD1  LEU  32          1HD1      LEU  32  -4.539  -9.620  -9.620
  980   2HD1  LEU  32          3HD1      LEU  32  -5.154  -8.026  -8.026
  981   3HD1  LEU  32          2HD1      LEU  32  -5.484  -8.694  -8.694
  982   1HD2  LEU  32          2HD2      LEU  32  -7.370 -10.065 -10.065
  983   2HD2  LEU  32          1HD2      LEU  32  -7.222  -8.335  -8.335
  984   3HD2  LEU  32          3HD2      LEU  32  -5.779  -9.306  -9.306
  985    H    LYS  33           H        LYS  33  -8.443 -12.551 -12.551
  986    HA   LYS  33           HA       LYS  33 -10.016 -10.675 -10.675
  987   1HB   LYS  33          2HB       LYS  33 -10.361 -13.165 -13.165
  988   2HB   LYS  33          1HB       LYS  33 -10.241 -13.558 -13.558
  989   1HG   LYS  33          2HG       LYS  33 -12.211 -11.681 -11.681
  990   2HG   LYS  33          1HG       LYS  33 -12.567 -13.162 -13.162
  991   1HD   LYS  33          2HD       LYS  33 -11.765 -12.151 -12.151
  992   2HD   LYS  33          1HD       LYS  33 -11.301 -10.684 -10.684
  993   1HE   LYS  33          2HE       LYS  33 -13.481 -10.335 -10.335
  994   2HE   LYS  33          1HE       LYS  33 -13.712 -10.396 -10.396
  995   1HZ   LYS  33          1HZ       LYS  33 -13.763 -12.905 -12.905
  996   2HZ   LYS  33          3HZ       LYS  33 -15.138 -11.912 -11.912
  997   3HZ   LYS  33          2HZ       LYS  33 -14.562 -12.505 -12.505
  998    H    GLU  34           H        GLU  34  -8.345 -13.461 -13.461
  999    HA   GLU  34           HA       GLU  34  -8.619 -12.787 -12.787
 1000   1HB   GLU  34          2HB       GLU  34  -7.280 -14.657 -14.657
 1001   2HB   GLU  34          1HB       GLU  34  -5.917 -13.589 -13.589
 1002   1HG   GLU  34          2HG       GLU  34  -6.127 -13.889 -13.889
 1003   2HG   GLU  34          1HG       GLU  34  -7.817 -14.385 -14.385
 1004    H    LEU  35           H        LEU  35  -6.288 -11.567 -11.567
 1005    HA   LEU  35           HA       LEU  35  -4.625  -9.954  -9.954
 1006   1HB   LEU  35          2HB       LEU  35  -5.169 -10.430 -10.430
 1007   2HB   LEU  35          1HB       LEU  35  -5.661  -8.742  -8.742
 1008    HG   LEU  35           HG       LEU  35  -3.174  -9.233  -9.233
 1009   1HD1  LEU  35          2HD1      LEU  35  -3.332 -10.910 -10.910
 1010   2HD1  LEU  35          1HD1      LEU  35  -2.778  -9.456  -9.456
 1011   3HD1  LEU  35          3HD1      LEU  35  -1.825 -10.141 -10.141
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.254  -7.063  -7.063
 1013   2HD2  LEU  35          3HD2      LEU  35  -2.529  -7.246  -7.246
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.716  -7.525  -7.525
 1015    H    ILE  36           H        ILE  36  -7.702  -8.946  -8.946
 1016    HA   ILE  36           HA       ILE  36  -7.705  -6.415  -6.415
 1017    HB   ILE  36           HB       ILE  36  -9.457  -7.960  -7.960
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.234  -5.923  -5.923
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.462  -5.095  -5.095
 1020   1HG2  ILE  36          2HG2      ILE  36 -10.363  -5.654  -5.654
 1021   2HG2  ILE  36          1HG2      ILE  36 -11.117  -6.017  -6.017
 1022   3HG2  ILE  36          3HG2      ILE  36 -11.163  -7.207  -7.207
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.368  -7.600  -7.600
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.828  -5.966  -5.966
 1025   3HD1  ILE  36          1HD1      ILE  36  -6.575  -6.618  -6.618
 1026    H    ASN  37           H        ASN  37  -8.932  -9.643  -9.643
 1027    HA   ASN  37           HA       ASN  37 -10.893  -8.857  -8.857
 1028   1HB   ASN  37          2HB       ASN  37 -11.405 -10.794 -10.794
 1029   2HB   ASN  37          1HB       ASN  37  -9.742 -11.376 -11.376
 1030   1HD2  ASN  37          2HD2      ASN  37 -10.380 -13.330 -13.330
 1031   2HD2  ASN  37          1HD2      ASN  37  -9.492 -13.102 -13.102
 1032    H    ASN  38           H        ASN  38  -7.541 -10.042 -10.042
 1033    HA   ASN  38           HA       ASN  38  -7.439 -10.457 -10.457
 1034   1HB   ASN  38          2HB       ASN  38  -5.563 -10.376 -10.376
 1035   2HB   ASN  38          1HB       ASN  38  -4.873 -10.273 -10.273
 1036   1HD2  ASN  38          2HD2      ASN  38  -4.923 -13.842 -13.842
 1037   2HD2  ASN  38          1HD2      ASN  38  -3.935 -12.473 -12.473
 1038    H    GLU  39           H        GLU  39  -7.381  -7.732  -7.732
 1039    HA   GLU  39           HA       GLU  39  -6.069  -6.018  -6.018
 1040   1HB   GLU  39          2HB       GLU  39  -5.662  -4.520  -4.520
 1041   2HB   GLU  39          1HB       GLU  39  -5.053  -6.136  -6.136
 1042   1HG   GLU  39          2HG       GLU  39  -7.129  -6.630  -6.630
 1043   2HG   GLU  39          1HG       GLU  39  -7.693  -4.991  -4.991
 1044    H    LEU  40           H        LEU  40  -8.849  -6.232  -6.232
 1045    HA   LEU  40           HA       LEU  40 -10.265  -4.204  -4.204
 1046   1HB   LEU  40          2HB       LEU  40 -10.551  -4.800  -4.800
 1047   2HB   LEU  40          1HB       LEU  40 -11.347  -3.492  -3.492
 1048    HG   LEU  40           HG       LEU  40  -8.431  -3.566  -3.566
 1049   1HD1  LEU  40          2HD1      LEU  40  -8.665  -4.315  -4.315
 1050   2HD1  LEU  40          1HD1      LEU  40  -9.558  -2.832  -2.832
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.869  -2.751  -2.751
 1052   1HD2  LEU  40          3HD2      LEU  40 -10.091  -1.763  -1.763
 1053   2HD2  LEU  40          2HD2      LEU  40  -8.684  -1.191  -1.191
 1054   3HD2  LEU  40          1HD2      LEU  40 -10.238  -1.360  -1.360
 1055    H    SER  41           H        SER  41 -10.591  -6.664  -6.664
 1056    HA   SER  41           HA       SER  41 -12.305  -8.567  -8.567
 1057   1HB   SER  41          2HB       SER  41 -12.444  -7.319  -7.319
 1058   2HB   SER  41          1HB       SER  41 -12.956  -8.948  -8.948
 1059    HG   SER  41           HG       SER  41 -10.963  -9.531  -9.531
 1060    H    HIS  42           H        HIS  42 -13.226  -5.379  -5.379
 1061    HA   HIS  42           HA       HIS  42 -16.020  -5.607  -5.607
 1062   1HB   HIS  42          2HB       HIS  42 -13.978  -3.502  -3.502
 1063   2HB   HIS  42          1HB       HIS  42 -15.557  -3.082  -3.082
 1064    HD1  HIS  42           HD1      HIS  42 -17.003  -1.962  -1.962
 1065    HD2  HIS  42           HD2      HIS  42 -14.477  -4.755  -4.755
 1066    HE1  HIS  42           HE1      HIS  42 -17.518  -1.910  -1.910
 1067    H    PHE  43           H        PHE  43 -13.814  -5.383  -5.383
 1068    HA   PHE  43           HA       PHE  43 -15.908  -4.920  -4.920
 1069   1HB   PHE  43          2HB       PHE  43 -12.967  -5.439  -5.439
 1070   2HB   PHE  43          1HB       PHE  43 -13.798  -5.757  -5.757
 1071    HD1  PHE  43           HD1      PHE  43 -15.662  -3.249  -3.249
 1072    HD2  PHE  43           HD2      PHE  43 -11.973  -3.837  -3.837
 1073    HE1  PHE  43           HE1      PHE  43 -15.594  -0.844  -0.844
 1074    HE2  PHE  43           HE2      PHE  43 -11.908  -1.430  -1.430
 1075    HZ   PHE  43           HZ       PHE  43 -13.727   0.069   0.069
 1076    H    LEU  44           H        LEU  44 -14.738  -7.652  -7.652
 1077    HA   LEU  44           HA       LEU  44 -14.969  -9.798  -9.798
 1078   1HB   LEU  44          2HB       LEU  44 -14.516  -9.613  -9.613
 1079   2HB   LEU  44          1HB       LEU  44 -16.265  -9.796  -9.796
 1080    HG   LEU  44           HG       LEU  44 -16.129 -11.881 -11.881
 1081   1HD1  LEU  44          1HD1      LEU  44 -13.465 -10.852 -10.852
 1082   2HD1  LEU  44          3HD1      LEU  44 -13.378 -12.481 -12.481
 1083   3HD1  LEU  44          2HD1      LEU  44 -14.275 -12.190 -12.190
 1084   1HD2  LEU  44          1HD2      LEU  44 -15.149 -11.427 -11.427
 1085   2HD2  LEU  44          3HD2      LEU  44 -16.011 -12.831 -12.831
 1086   3HD2  LEU  44          2HD2      LEU  44 -14.252 -12.760 -12.760
 1087    H    GLU  45           H        GLU  45 -17.395  -7.771  -7.771
 1088    HA   GLU  45           HA       GLU  45 -19.681  -9.269  -9.269
 1089   1HB   GLU  45          2HB       GLU  45 -19.058  -7.335  -7.335
 1090   2HB   GLU  45          1HB       GLU  45 -20.389  -6.734  -6.734
 1091   1HG   GLU  45          2HG       GLU  45 -21.722  -8.662  -8.662
 1092   2HG   GLU  45          1HG       GLU  45 -20.350  -9.552  -9.552
 1093    H    GLU  46           H        GLU  46 -17.697  -6.483  -6.483
 1094    HA   GLU  46           HA       GLU  46 -17.573  -5.101  -5.101
 1095   1HB   GLU  46          2HB       GLU  46 -18.264  -7.570  -7.570
 1096   2HB   GLU  46          1HB       GLU  46 -19.717  -6.704  -6.704
 1097   1HG   GLU  46          2HG       GLU  46 -17.989  -4.984  -4.984
 1098   2HG   GLU  46          1HG       GLU  46 -16.886  -6.360  -6.360
 1099    H    ILE  47           H        ILE  47 -20.991  -6.178  -6.178
 1100    HA   ILE  47           HA       ILE  47 -22.425  -4.017  -4.017
 1101    HB   ILE  47           HB       ILE  47 -23.107  -6.187  -6.187
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.693  -4.445  -4.445
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.276  -5.251  -5.251
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.770  -4.266  -4.266
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.624  -5.808  -5.808
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.895  -5.776  -5.776
 1107   1HD1  ILE  47          3HD1      ILE  47 -23.905  -3.201  -3.201
 1108   2HD1  ILE  47          2HD1      ILE  47 -24.407  -2.441  -2.441
 1109   3HD1  ILE  47          1HD1      ILE  47 -25.616  -3.105  -3.105
 1110    H    LYS  48           H        LYS  48 -20.551  -4.187  -4.187
 1111    HA   LYS  48           HA       LYS  48 -21.294  -1.989  -1.989
 1112   1HB   LYS  48          2HB       LYS  48 -18.993  -3.620  -3.620
 1113   2HB   LYS  48          1HB       LYS  48 -18.435  -1.948  -1.948
 1114   1HG   LYS  48          2HG       LYS  48 -18.429  -2.547  -2.547
 1115   2HG   LYS  48          1HG       LYS  48 -20.004  -1.770  -1.770
 1116   1HD   LYS  48          2HD       LYS  48 -20.988  -3.668  -3.668
 1117   2HD   LYS  48          1HD       LYS  48 -20.344  -4.494  -4.494
 1118   1HE   LYS  48          2HE       LYS  48 -18.832  -5.619  -5.619
 1119   2HE   LYS  48          1HE       LYS  48 -18.285  -4.119  -4.119
 1120   1HZ   LYS  48          2HZ       LYS  48 -20.822  -5.517  -5.517
 1121   2HZ   LYS  48          1HZ       LYS  48 -19.392  -5.661  -5.661
 1122   3HZ   LYS  48          3HZ       LYS  48 -20.173  -4.161  -4.161
 1123    H    GLU  49           H        GLU  49 -19.868  -1.995  -1.995
 1124    HA   GLU  49           HA       GLU  49 -20.094   0.986   0.986
 1125   1HB   GLU  49          2HB       GLU  49 -17.907   0.834   0.834
 1126   2HB   GLU  49          1HB       GLU  49 -17.778   0.546   0.546
 1127   1HG   GLU  49          2HG       GLU  49 -17.466  -1.743  -1.743
 1128   2HG   GLU  49          1HG       GLU  49 -18.294  -1.784  -1.784
 1129    H    GLN  50           H        GLN  50 -22.030   0.684   0.684
 1130    HA   GLN  50           HA       GLN  50 -22.491  -1.013  -1.013
 1131   1HB   GLN  50          2HB       GLN  50 -23.360   1.817   1.817
 1132   2HB   GLN  50          1HB       GLN  50 -24.061   0.877   0.877
 1133   1HG   GLN  50          2HG       GLN  50 -23.948  -0.668  -0.668
 1134   2HG   GLN  50          1HG       GLN  50 -24.865   0.823   0.823
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.576  -0.249  -0.249
 1136   2HE2  GLN  50          1HE2      GLN  50 -26.903   1.004   1.004
 1137    H    GLU  51           H        GLU  51 -22.307   2.347   2.347
 1138    HA   GLU  51           HA       GLU  51 -21.436   2.141   2.141
 1139   1HB   GLU  51          2HB       GLU  51 -21.894   4.247   4.247
 1140   2HB   GLU  51          1HB       GLU  51 -20.378   4.089   4.089
 1141   1HG   GLU  51          2HG       GLU  51 -19.219   3.966   3.966
 1142   2HG   GLU  51          1HG       GLU  51 -20.749   4.514   4.514
 1143    H    VAL  52           H        VAL  52 -19.293   1.770   1.770
 1144    HA   VAL  52           HA       VAL  52 -16.871   1.594   1.594
 1145    HB   VAL  52           HB       VAL  52 -17.253   0.426   0.426
 1146   1HG1  VAL  52          1HG1      VAL  52 -15.050   1.452   1.452
 1147   2HG1  VAL  52          3HG1      VAL  52 -14.974   1.919   1.919
 1148   3HG1  VAL  52          2HG1      VAL  52 -15.023   0.214   0.214
 1149   1HG2  VAL  52          3HG2      VAL  52 -17.734   3.199   3.199
 1150   2HG2  VAL  52          2HG2      VAL  52 -18.144   2.409   2.409
 1151   3HG2  VAL  52          1HG2      VAL  52 -16.524   3.063   3.063
 1152    H    VAL  53           H        VAL  53 -19.052  -0.741  -0.741
 1153    HA   VAL  53           HA       VAL  53 -17.780  -3.163  -3.163
 1154    HB   VAL  53           HB       VAL  53 -20.647  -2.221  -2.221
 1155   1HG1  VAL  53          3HG1      VAL  53 -19.621  -4.826  -4.826
 1156   2HG1  VAL  53          2HG1      VAL  53 -21.026  -4.869  -4.869
 1157   3HG1  VAL  53          1HG1      VAL  53 -21.084  -3.940  -3.940
 1158   1HG2  VAL  53          3HG2      VAL  53 -18.703  -3.173  -3.173
 1159   2HG2  VAL  53          2HG2      VAL  53 -20.389  -2.769  -2.769
 1160   3HG2  VAL  53          1HG2      VAL  53 -19.947  -4.417  -4.417
 1161    H    ASP  54           H        ASP  54 -19.508  -0.893  -0.893
 1162    HA   ASP  54           HA       ASP  54 -19.578  -2.554  -2.554
 1163   1HB   ASP  54          2HB       ASP  54 -21.135  -0.815  -0.815
 1164   2HB   ASP  54          1HB       ASP  54 -20.022   0.309   0.309
 1165    H    LYS  55           H        LYS  55 -17.423  -0.060  -0.060
 1166    HA   LYS  55           HA       LYS  55 -15.564  -0.103  -0.103
 1167   1HB   LYS  55          2HB       LYS  55 -15.673   1.000   1.000
 1168   2HB   LYS  55          1HB       LYS  55 -14.176   1.095   1.095
 1169   1HG   LYS  55          2HG       LYS  55 -15.915   3.067   3.067
 1170   2HG   LYS  55          1HG       LYS  55 -15.084   2.545   2.545
 1171   1HD   LYS  55          2HD       LYS  55 -17.025   1.105   1.105
 1172   2HD   LYS  55          1HD       LYS  55 -17.858   1.690   1.690
 1173   1HE   LYS  55          2HE       LYS  55 -18.687   3.078   3.078
 1174   2HE   LYS  55          1HE       LYS  55 -17.423   4.068   4.068
 1175   1HZ   LYS  55          2HZ       LYS  55 -15.832   3.072   3.072
 1176   2HZ   LYS  55          1HZ       LYS  55 -17.139   2.338   2.338
 1177   3HZ   LYS  55          3HZ       LYS  55 -17.022   4.029   4.029
 1178    H    VAL  56           H        VAL  56 -15.131  -1.072  -1.072
 1179    HA   VAL  56           HA       VAL  56 -12.782  -2.462  -2.462
 1180    HB   VAL  56           HB       VAL  56 -15.479  -3.152  -3.152
 1181   1HG1  VAL  56          1HG1      VAL  56 -13.022  -4.727  -4.727
 1182   2HG1  VAL  56          3HG1      VAL  56 -13.498  -4.317  -4.317
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.621  -5.174  -5.174
 1184   1HG2  VAL  56          1HG2      VAL  56 -13.442  -1.228  -1.228
 1185   2HG2  VAL  56          3HG2      VAL  56 -14.921  -1.538  -1.538
 1186   3HG2  VAL  56          2HG2      VAL  56 -13.441  -2.404  -2.404
 1187    H    MET  57           H        MET  57 -15.912  -3.793  -3.793
 1188    HA   MET  57           HA       MET  57 -14.784  -6.335  -6.335
 1189   1HB   MET  57          2HB       MET  57 -17.372  -4.843  -4.843
 1190   2HB   MET  57          1HB       MET  57 -17.076  -6.466  -6.466
 1191   1HG   MET  57          2HG       MET  57 -16.317  -6.562  -6.562
 1192   2HG   MET  57          1HG       MET  57 -17.828  -5.654  -5.654
 1193   1HE   MET  57          3HE       MET  57 -16.084  -8.531  -8.531
 1194   2HE   MET  57          2HE       MET  57 -16.130  -9.068  -9.068
 1195   3HE   MET  57          1HE       MET  57 -17.048  -9.943  -9.943
 1196    H    GLU  58           H        GLU  58 -15.554  -3.261  -3.261
 1197    HA   GLU  58           HA       GLU  58 -15.360  -3.916  -3.916
 1198   1HB   GLU  58          2HB       GLU  58 -15.127  -1.645  -1.645
 1199   2HB   GLU  58          1HB       GLU  58 -15.390  -1.637  -1.637
 1200   1HG   GLU  58          2HG       GLU  58 -13.046  -1.451  -1.451
 1201   2HG   GLU  58          1HG       GLU  58 -12.616  -1.852  -1.852
 1202    H    THR  59           H        THR  59 -12.624  -3.368  -3.368
 1203    HA   THR  59           HA       THR  59 -10.671  -4.180  -4.180
 1204    HB   THR  59           HB       THR  59 -10.455  -3.568  -3.568
 1205    HG1  THR  59           HG1      THR  59 -10.387  -2.051  -2.051
 1206   1HG2  THR  59          1HG2      THR  59  -8.428  -4.093  -4.093
 1207   2HG2  THR  59          3HG2      THR  59  -8.029  -3.046  -3.046
 1208   3HG2  THR  59          2HG2      THR  59  -8.483  -4.727  -4.727
 1209    H    LEU  60           H        LEU  60 -11.475  -5.421  -5.421
 1210    HA   LEU  60           HA       LEU  60 -10.060  -7.791  -7.791
 1211   1HB   LEU  60          2HB       LEU  60 -11.507  -6.969  -6.969
 1212   2HB   LEU  60          1HB       LEU  60 -12.936  -7.294  -7.294
 1213    HG   LEU  60           HG       LEU  60 -12.606  -9.645  -9.645
 1214   1HD1  LEU  60          1HD1      LEU  60  -9.816  -8.846  -8.846
 1215   2HD1  LEU  60          3HD1      LEU  60 -10.403 -10.322 -10.322
 1216   3HD1  LEU  60          2HD1      LEU  60 -10.402 -10.180 -10.180
 1217   1HD2  LEU  60          1HD2      LEU  60 -12.668  -8.073  -8.073
 1218   2HD2  LEU  60          3HD2      LEU  60 -13.377  -9.664  -9.664
 1219   3HD2  LEU  60          2HD2      LEU  60 -11.721  -9.528  -9.528
 1220    H    ASP  61           H        ASP  61 -12.895  -7.062  -7.062
 1221    HA   ASP  61           HA       ASP  61 -13.323  -9.847  -9.847
 1222   1HB   ASP  61          2HB       ASP  61 -14.941  -7.752  -7.752
 1223   2HB   ASP  61          1HB       ASP  61 -14.383  -7.414  -7.414
 1224    H    SER  62           H        SER  62 -11.947  -6.860  -6.860
 1225    HA   SER  62           HA       SER  62 -11.020  -8.226  -8.226
 1226   1HB   SER  62          2HB       SER  62 -10.197  -5.851  -5.851
 1227   2HB   SER  62          1HB       SER  62 -11.940  -6.019  -6.019
 1228    HG   SER  62           HG       SER  62 -10.728  -4.302  -4.302
 1229    H    ASP  63           H        ASP  63  -9.327  -5.837  -5.837
 1230    HA   ASP  63           HA       ASP  63  -7.022  -5.742  -5.742
 1231   1HB   ASP  63          2HB       ASP  63  -8.518  -6.921  -6.921
 1232   2HB   ASP  63          1HB       ASP  63  -7.660  -8.385  -8.385
 1233    H    GLY  64           H        GLY  64  -5.201  -7.731  -7.731
 1234   1HA   GLY  64          2HA       GLY  64  -3.967  -8.323  -8.323
 1235   2HA   GLY  64          1HA       GLY  64  -3.908  -9.456  -9.456
 1236    H    ASP  65           H        ASP  65  -6.835  -9.909  -9.909
 1237    HA   ASP  65           HA       ASP  65  -8.346 -11.385 -11.385
 1238   1HB   ASP  65          2HB       ASP  65  -8.587  -9.922  -9.922
 1239   2HB   ASP  65          1HB       ASP  65  -6.893 -10.053 -10.053
 1240    H    GLY  66           H        GLY  66  -7.296 -13.214 -13.214
 1241   1HA   GLY  66          2HA       GLY  66  -6.534 -15.446 -15.446
 1242   2HA   GLY  66          1HA       GLY  66  -6.216 -15.150 -15.150
 1243    H    GLU  67           H        GLU  67  -4.823 -12.615 -12.615
 1244    HA   GLU  67           HA       GLU  67  -2.304 -14.024 -14.024
 1245   1HB   GLU  67          2HB       GLU  67  -2.267 -13.678 -13.678
 1246   2HB   GLU  67          1HB       GLU  67  -2.601 -11.961 -11.961
 1247   1HG   GLU  67          2HG       GLU  67  -0.462 -11.496 -11.496
 1248   2HG   GLU  67          1HG       GLU  67  -0.279 -13.037 -13.037
 1249    H    CYS  68           H        CYS  68  -2.960 -13.040 -13.040
 1250    HA   CYS  68           HA       CYS  68  -2.797 -10.083 -10.083
 1251   1HB   CYS  68          2HB       CYS  68  -4.467 -11.249 -11.249
 1252   2HB   CYS  68          1HB       CYS  68  -3.243 -12.320 -12.320
 1253    HG   CYS  68           HG       CYS  68  -2.212  -9.840  -9.840
 1254    H    ASP  69           H        ASP  69  -0.582  -9.699  -9.699
 1255    HA   ASP  69           HA       ASP  69   1.497 -11.030 -11.030
 1256   1HB   ASP  69          2HB       ASP  69   1.468  -9.437  -9.437
 1257   2HB   ASP  69          1HB       ASP  69   2.965  -9.866  -9.866
 1258    H    PHE  70           H        PHE  70   3.435  -9.550  -9.550
 1259    HA   PHE  70           HA       PHE  70   3.476  -7.966  -7.966
 1260   1HB   PHE  70          2HB       PHE  70   4.778  -7.732  -7.732
 1261   2HB   PHE  70          1HB       PHE  70   5.093  -6.466  -6.466
 1262    HD1  PHE  70           HD1      PHE  70   4.224  -9.691  -9.691
 1263    HD2  PHE  70           HD2      PHE  70   7.509  -7.317  -7.317
 1264    HE1  PHE  70           HE1      PHE  70   5.810 -11.180 -11.180
 1265    HE2  PHE  70           HE2      PHE  70   9.099  -8.808  -8.808
 1266    HZ   PHE  70           HZ       PHE  70   8.245 -10.744 -10.744
 1267    H    GLN  71           H        GLN  71   3.386  -5.980  -5.980
 1268    HA   GLN  71           HA       GLN  71   2.193  -3.741  -3.741
 1269   1HB   GLN  71          2HB       GLN  71   2.205  -2.764  -2.764
 1270   2HB   GLN  71          1HB       GLN  71   3.604  -3.837  -3.837
 1271   1HG   GLN  71          2HG       GLN  71   2.735  -4.613  -4.613
 1272   2HG   GLN  71          1HG       GLN  71   1.744  -5.587  -5.587
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.782  -4.054  -4.054
 1274   2HE2  GLN  71          1HE2      GLN  71   0.312  -5.352  -5.352
 1275    H    GLU  72           H        GLU  72   0.787  -6.580  -6.580
 1276    HA   GLU  72           HA       GLU  72  -1.856  -5.401  -5.401
 1277   1HB   GLU  72          2HB       GLU  72  -1.312  -8.330  -8.330
 1278   2HB   GLU  72          1HB       GLU  72  -2.386  -7.561  -7.561
 1279   1HG   GLU  72          2HG       GLU  72  -0.072  -6.532  -6.532
 1280   2HG   GLU  72          1HG       GLU  72   0.560  -8.010  -8.010
 1281    H    PHE  73           H        PHE  73  -0.252  -7.243  -7.243
 1282    HA   PHE  73           HA       PHE  73  -2.555  -7.643  -7.643
 1283   1HB   PHE  73          2HB       PHE  73  -0.782  -9.013  -9.013
 1284   2HB   PHE  73          1HB       PHE  73   0.394  -7.802  -7.802
 1285    HD1  PHE  73           HD2      PHE  73   0.461  -5.652  -5.652
 1286    HD2  PHE  73           HD1      PHE  73  -0.969  -9.556  -9.556
 1287    HE1  PHE  73           HE2      PHE  73   0.827  -5.128  -5.128
 1288    HE2  PHE  73           HE1      PHE  73  -0.592  -9.023  -9.023
 1289    HZ   PHE  73           HZ       PHE  73   0.303  -6.814  -6.814
 1290    H    MET  74           H        MET  74  -0.178  -5.062  -5.062
 1291    HA   MET  74           HA       MET  74  -1.307  -3.506  -3.506
 1292   1HB   MET  74          2HB       MET  74   1.174  -3.749  -3.749
 1293   2HB   MET  74          1HB       MET  74   0.710  -2.545  -2.545
 1294   1HG   MET  74          2HG       MET  74  -0.125  -1.088  -1.088
 1295   2HG   MET  74          1HG       MET  74   0.514  -2.259  -2.259
 1296   1HE   MET  74          1HE       MET  74   2.582  -3.399  -3.399
 1297   2HE   MET  74          3HE       MET  74   3.811  -2.797  -2.797
 1298   3HE   MET  74          2HE       MET  74   3.924  -2.423  -2.423
 1299    H    ALA  75           H        ALA  75  -1.640  -3.834  -3.834
 1300    HA   ALA  75           HA       ALA  75  -2.604  -1.205  -1.205
 1301   1HB   ALA  75          3HB       ALA  75  -2.898  -4.006  -4.006
 1302   2HB   ALA  75          2HB       ALA  75  -3.642  -2.624  -2.624
 1303   3HB   ALA  75          1HB       ALA  75  -1.888  -2.701  -2.701
 1304    H    PHE  76           H        PHE  76  -4.261  -4.243  -4.243
 1305    HA   PHE  76           HA       PHE  76  -6.907  -3.052  -3.052
 1306   1HB   PHE  76          2HB       PHE  76  -6.647  -5.365  -5.365
 1307   2HB   PHE  76          1HB       PHE  76  -5.675  -5.684  -5.684
 1308    HD1  PHE  76           HD1      PHE  76  -9.041  -4.256  -4.256
 1309    HD2  PHE  76           HD2      PHE  76  -6.731  -6.718  -6.718
 1310    HE1  PHE  76           HE1      PHE  76 -11.093  -4.814  -4.814
 1311    HE2  PHE  76           HE2      PHE  76  -8.788  -7.275  -7.275
 1312    HZ   PHE  76           HZ       PHE  76 -10.969  -6.323  -6.323
 1313    H    VAL  77           H        VAL  77  -4.532  -4.145  -4.145
 1314    HA   VAL  77           HA       VAL  77  -6.133  -3.519  -3.519
 1315    HB   VAL  77           HB       VAL  77  -3.695  -4.594  -4.594
 1316   1HG1  VAL  77          3HG1      VAL  77  -2.812  -2.229  -2.229
 1317   2HG1  VAL  77          2HG1      VAL  77  -2.992  -1.931  -1.931
 1318   3HG1  VAL  77          1HG1      VAL  77  -1.897  -3.194  -3.194
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.032  -3.443  -3.443
 1320   2HG2  VAL  77          1HG2      VAL  77  -4.579  -5.114  -5.114
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.353  -3.959  -3.959
 1322    H    ALA  78           H        ALA  78  -4.364  -1.580  -1.580
 1323    HA   ALA  78           HA       ALA  78  -4.392   0.907   0.907
 1324   1HB   ALA  78          1HB       ALA  78  -4.158   0.263   0.263
 1325   2HB   ALA  78          3HB       ALA  78  -3.792   1.830   1.830
 1326   3HB   ALA  78          2HB       ALA  78  -2.814   0.422   0.422
 1327    H    MET  79           H        MET  79  -6.409  -0.492  -0.492
 1328    HA   MET  79           HA       MET  79  -8.260   1.701   1.701
 1329   1HB   MET  79          2HB       MET  79  -7.959  -1.093  -1.093
 1330   2HB   MET  79          1HB       MET  79  -9.643  -0.622  -0.622
 1331   1HG   MET  79          2HG       MET  79  -8.033   1.409   1.409
 1332   2HG   MET  79          1HG       MET  79  -8.166  -0.112  -0.112
 1333   1HE   MET  79          2HE       MET  79  -9.657   2.923   2.923
 1334   2HE   MET  79          1HE       MET  79 -11.391   2.887   2.887
 1335   3HE   MET  79          3HE       MET  79 -10.695   1.898   1.898
 1336    H    ILE  80           H        ILE  80  -8.124  -1.154  -1.154
 1337    HA   ILE  80           HA       ILE  80 -10.747  -0.649  -0.649
 1338    HB   ILE  80           HB       ILE  80  -8.416  -2.328  -2.328
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.132  -2.668  -2.668
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.122  -4.093  -4.093
 1341   1HG2  ILE  80          2HG2      ILE  80 -11.417  -2.516  -2.516
 1342   2HG2  ILE  80          1HG2      ILE  80 -10.267  -3.745  -3.745
 1343   3HG2  ILE  80          3HG2      ILE  80 -10.211  -2.127  -2.127
 1344   1HD1  ILE  80          1HD1      ILE  80 -11.664  -2.603  -2.603
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.257  -3.298  -3.298
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.380  -4.338  -4.338
 1347    H    THR  81           H        THR  81  -7.418  -0.722  -0.722
 1348    HA   THR  81           HA       THR  81  -7.624   0.313   0.313
 1349    HB   THR  81           HB       THR  81  -5.677   0.956   0.956
 1350    HG1  THR  81           HG1      THR  81  -5.268  -1.043  -1.043
 1351   1HG2  THR  81          3HG2      THR  81  -5.912   2.062   2.062
 1352   2HG2  THR  81          2HG2      THR  81  -4.325   1.374   1.374
 1353   3HG2  THR  81          1HG2      THR  81  -4.983   2.651   2.651
 1354    H    THR  82           H        THR  82  -7.945   2.184   2.184
 1355    HA   THR  82           HA       THR  82  -8.164   4.708   4.708
 1356    HB   THR  82           HB       THR  82  -8.864   5.403   5.403
 1357    HG1  THR  82           HG1      THR  82  -7.678   3.841   3.841
 1358   1HG2  THR  82          3HG2      THR  82  -6.232   4.732   4.732
 1359   2HG2  THR  82          2HG2      THR  82  -6.246   5.075   5.075
 1360   3HG2  THR  82          1HG2      THR  82  -6.832   6.284   6.284
 1361    H    ALA  83           H        ALA  83 -10.269   2.266   2.266
 1362    HA   ALA  83           HA       ALA  83 -12.694   3.934   3.934
 1363   1HB   ALA  83          3HB       ALA  83 -11.834   1.638   1.638
 1364   2HB   ALA  83          2HB       ALA  83 -13.109   1.088   1.088
 1365   3HB   ALA  83          1HB       ALA  83 -13.430   2.387   2.387
 1366    H    CYS  84           H        CYS  84 -10.691   2.276   2.276
 1367    HA   CYS  84           HA       CYS  84 -12.625   0.954   0.954
 1368   1HB   CYS  84          2HB       CYS  84 -10.380   0.209   0.209
 1369   2HB   CYS  84          1HB       CYS  84  -9.748   1.854   1.854
 1370    HG   CYS  84           HG       CYS  84 -11.336   0.502   0.502
 1371    H    HIS  85           H        HIS  85 -10.528   3.397   3.397
 1372    HA   HIS  85           HA       HIS  85 -12.631   5.375   5.375
 1373   1HB   HIS  85          2HB       HIS  85 -12.791   3.094   3.094
 1374   2HB   HIS  85          1HB       HIS  85 -11.937   4.221   4.221
 1375    HD1  HIS  85           HD1      HIS  85 -14.965   3.316   3.316
 1376    HD2  HIS  85           HD2      HIS  85 -13.708   6.886   6.886
 1377    HE1  HIS  85           HE1      HIS  85 -16.894   4.941   4.941
 1378    H    GLU  86           H        GLU  86 -11.652   6.259   6.259
 1379    HA   GLU  86           HA       GLU  86  -9.900   7.568   7.568
 1380   1HB   GLU  86          2HB       GLU  86  -8.852   5.185   5.185
 1381   2HB   GLU  86          1HB       GLU  86  -7.889   6.337   6.337
 1382   1HG   GLU  86          2HG       GLU  86  -6.895   5.768   5.768
 1383   2HG   GLU  86          1HG       GLU  86  -7.219   7.489   7.489
 1384    H    PHE  87           H        PHE  87  -7.474   8.292   8.292
 1385    HA   PHE  87           HA       PHE  87  -8.349  10.710  10.710
 1386   1HB   PHE  87          2HB       PHE  87  -5.997  10.380  10.380
 1387   2HB   PHE  87          1HB       PHE  87  -6.076   8.833   8.833
 1388    HD1  PHE  87           HD2      PHE  87  -6.817  12.474  12.474
 1389    HD2  PHE  87           HD1      PHE  87  -5.680   8.770   8.770
 1390    HE1  PHE  87           HE2      PHE  87  -6.580  13.637  13.637
 1391    HE2  PHE  87           HE1      PHE  87  -5.488   9.924   9.924
 1392    HZ   PHE  87           HZ       PHE  87  -5.924  12.362  12.362
 1393    H    PHE  88           H        PHE  88  -7.415   7.964   7.964
 1394    HA   PHE  88           HA       PHE  88  -8.508   8.636   8.636
 1395   1HB   PHE  88          2HB       PHE  88  -8.487   6.024   6.024
 1396   2HB   PHE  88          1HB       PHE  88  -9.046   6.130   6.130
 1397    HD1  PHE  88           HD1      PHE  88  -6.942   8.571   8.571
 1398    HD2  PHE  88           HD2      PHE  88  -6.669   4.496   4.496
 1399    HE1  PHE  88           HE1      PHE  88  -4.613   8.476   8.476
 1400    HE2  PHE  88           HE2      PHE  88  -4.332   4.405   4.405
 1401    HZ   PHE  88           HZ       PHE  88  -3.297   6.392   6.392
 1402    H    GLU  89           H        GLU  89 -10.511   9.368   9.368
 1403    HA   GLU  89           HA       GLU  89 -12.892   8.307   8.307
 1404   1HB   GLU  89          2HB       GLU  89 -11.997  10.790  10.790
 1405   2HB   GLU  89          1HB       GLU  89 -12.824  11.005  11.005
 1406   1HG   GLU  89          2HG       GLU  89 -14.588  11.463  11.463
 1407   2HG   GLU  89          1HG       GLU  89 -14.771   9.711   9.711
 1408    H    HIS  90           H        HIS  90 -11.731   9.673   9.673
 1409    HA   HIS  90           HA       HIS  90 -13.282   7.743   7.743
 1410   1HB   HIS  90          2HB       HIS  90 -14.672   9.908   9.908
 1411   2HB   HIS  90          1HB       HIS  90 -14.157  10.494  10.494
 1412    HD1  HIS  90           HD1      HIS  90 -16.576   8.255   8.255
 1413    HD2  HIS  90           HD2      HIS  90 -14.992   8.715   8.715
 1414    HE1  HIS  90           HE1      HIS  90 -18.090   6.961   6.961
 1415    H    GLU  91           H        GLU  91 -11.386   7.358   7.358
 1416    HA   GLU  91           HA       GLU  91  -9.443   9.125   9.125
 1417   1HB   GLU  91          2HB       GLU  91  -9.251   6.761   6.761
 1418   2HB   GLU  91          1HB       GLU  91 -10.752   6.702   6.702
 1419   1HG   GLU  91          2HG       GLU  91  -9.779   7.757   7.757
 1420   2HG   GLU  91          1HG       GLU  91  -8.416   8.364   8.364

  Start of MODEL    5
    1   1H    MET   0          3H        MET   0  -0.799  -9.087  -9.087
    2   2H    MET   0          2H        MET   0  -0.755 -10.614 -10.614
    3   3H    MET   0          1H        MET   0   0.254 -10.282 -10.282
    4    HA   MET   0           HA       MET   0  -1.336 -11.313 -11.313
    5   1HB   MET   0          2HB       MET   0  -3.687 -11.446 -11.446
    6   2HB   MET   0          1HB       MET   0  -2.402 -12.198 -12.198
    7   1HG   MET   0          2HG       MET   0  -3.182 -10.944 -10.944
    8   2HG   MET   0          1HG       MET   0  -2.365  -9.597  -9.597
    9   1HE   MET   0          2HE       MET   0  -3.954  -8.035  -8.035
   10   2HE   MET   0          1HE       MET   0  -5.712  -8.050  -8.050
   11   3HE   MET   0          3HE       MET   0  -4.857  -9.375  -9.375
   12    H    SER   1           H        SER   1  -2.490  -8.304  -8.304
   13    HA   SER   1           HA       SER   1  -3.898  -7.487  -7.487
   14   1HB   SER   1          2HB       SER   1  -3.900  -6.902  -6.902
   15   2HB   SER   1          1HB       SER   1  -3.807  -5.407  -5.407
   16    HG   SER   1           HG       SER   1  -5.672  -7.511  -7.511
   17    H    GLU   2           H        GLU   2  -0.793  -7.681  -7.681
   18    HA   GLU   2           HA       GLU   2   0.629  -5.358  -5.358
   19   1HB   GLU   2          2HB       GLU   2   0.706  -7.632  -7.632
   20   2HB   GLU   2          1HB       GLU   2   1.977  -6.415  -6.415
   21   1HG   GLU   2          2HG       GLU   2   1.390  -7.363  -7.363
   22   2HG   GLU   2          1HG       GLU   2   1.670  -8.752  -8.752
   23    H    LEU   3           H        LEU   3  -1.645  -6.271  -6.271
   24    HA   LEU   3           HA       LEU   3  -0.893  -4.082  -4.082
   25   1HB   LEU   3          2HB       LEU   3  -3.200  -6.032  -6.032
   26   2HB   LEU   3          1HB       LEU   3  -2.992  -4.898  -4.898
   27    HG   LEU   3           HG       LEU   3  -0.484  -6.069  -6.069
   28   1HD1  LEU   3          2HD1      LEU   3  -2.603  -7.898  -7.898
   29   2HD1  LEU   3          1HD1      LEU   3  -1.570  -8.563  -8.563
   30   3HD1  LEU   3          3HD1      LEU   3  -0.857  -7.980  -7.980
   31   1HD2  LEU   3          1HD2      LEU   3  -1.808  -5.503  -5.503
   32   2HD2  LEU   3          3HD2      LEU   3  -1.002  -7.069  -7.069
   33   3HD2  LEU   3          2HD2      LEU   3  -2.733  -6.984  -6.984
   34    H    GLU   4           H        GLU   4  -3.873  -4.752  -4.752
   35    HA   GLU   4           HA       GLU   4  -5.204  -2.309  -2.309
   36   1HB   GLU   4          2HB       GLU   4  -6.307  -3.954  -3.954
   37   2HB   GLU   4          1HB       GLU   4  -4.902  -4.278  -4.278
   38   1HG   GLU   4          2HG       GLU   4  -5.187  -2.080  -2.080
   39   2HG   GLU   4          1HG       GLU   4  -6.603  -1.766  -1.766
   40    H    LYS   5           H        LYS   5  -2.439  -3.109  -3.109
   41    HA   LYS   5           HA       LYS   5  -2.293  -0.582  -0.582
   42   1HB   LYS   5          2HB       LYS   5   0.013  -2.448  -2.448
   43   2HB   LYS   5          1HB       LYS   5  -0.322  -1.543  -1.543
   44   1HG   LYS   5          2HG       LYS   5  -2.566  -3.247  -3.247
   45   2HG   LYS   5          1HG       LYS   5  -1.128  -4.232  -4.232
   46   1HD   LYS   5          2HD       LYS   5  -0.348  -3.961  -3.961
   47   2HD   LYS   5          1HD       LYS   5  -1.142  -2.399  -2.399
   48   1HE   LYS   5          2HE       LYS   5  -3.330  -3.488  -3.488
   49   2HE   LYS   5          1HE       LYS   5  -2.587  -5.072  -5.072
   50   1HZ   LYS   5          1HZ       LYS   5  -1.451  -3.366  -3.366
   51   2HZ   LYS   5          3HZ       LYS   5  -2.898  -4.182  -4.182
   52   3HZ   LYS   5          2HZ       LYS   5  -1.512  -5.062  -5.062
   53    H    ALA   6           H        ALA   6  -0.883  -1.954  -1.954
   54    HA   ALA   6           HA       ALA   6   0.833   0.288   0.288
   55   1HB   ALA   6          1HB       ALA   6  -0.374  -2.071  -2.071
   56   2HB   ALA   6          3HB       ALA   6   0.453  -0.829  -0.829
   57   3HB   ALA   6          2HB       ALA   6   1.326  -1.719  -1.719
   58    H    VAL   7           H        VAL   7  -2.556  -0.536  -0.536
   59    HA   VAL   7           HA       VAL   7  -3.205   1.494   1.494
   60    HB   VAL   7           HB       VAL   7  -4.520  -0.331  -0.331
   61   1HG1  VAL   7          3HG1      VAL   7  -5.746   2.123   2.123
   62   2HG1  VAL   7          2HG1      VAL   7  -6.731   0.667   0.667
   63   3HG1  VAL   7          1HG1      VAL   7  -5.981   1.403   1.403
   64   1HG2  VAL   7          1HG2      VAL   7  -4.070  -0.151  -0.151
   65   2HG2  VAL   7          3HG2      VAL   7  -4.621  -1.528  -1.528
   66   3HG2  VAL   7          2HG2      VAL   7  -5.787  -0.354  -0.354
   67    H    VAL   8           H        VAL   8  -3.626   1.327   1.327
   68    HA   VAL   8           HA       VAL   8  -4.513   4.008   4.008
   69    HB   VAL   8           HB       VAL   8  -3.002   1.990   1.990
   70   1HG1  VAL   8          1HG1      VAL   8  -2.580   4.400   4.400
   71   2HG1  VAL   8          3HG1      VAL   8  -4.309   4.521   4.521
   72   3HG1  VAL   8          2HG1      VAL   8  -3.325   3.375   3.375
   73   1HG2  VAL   8          1HG2      VAL   8  -5.673   2.199   2.199
   74   2HG2  VAL   8          3HG2      VAL   8  -5.055   1.178   1.178
   75   3HG2  VAL   8          2HG2      VAL   8  -5.671   2.790   2.790
   76    H    ALA   9           H        ALA   9  -1.426   2.667   2.667
   77    HA   ALA   9           HA       ALA   9   0.187   4.935   4.935
   78   1HB   ALA   9          2HB       ALA   9   0.742   2.382   2.382
   79   2HB   ALA   9          1HB       ALA   9   1.002   2.880   2.880
   80   3HB   ALA   9          3HB       ALA   9   1.968   3.592   3.592
   81    H    LEU  10           H        LEU  10  -0.878   3.618   3.618
   82    HA   LEU  10           HA       LEU  10   0.225   5.711   5.711
   83   1HB   LEU  10          2HB       LEU  10  -2.170   3.906   3.906
   84   2HB   LEU  10          1HB       LEU  10  -1.191   4.699   4.699
   85    HG   LEU  10           HG       LEU  10   0.242   2.997   2.997
   86   1HD1  LEU  10          1HD1      LEU  10  -1.654   1.972   1.972
   87   2HD1  LEU  10          3HD1      LEU  10  -0.232   1.039   1.039
   88   3HD1  LEU  10          2HD1      LEU  10  -1.461   1.434   1.434
   89   1HD2  LEU  10          1HD2      LEU  10   0.458   3.617   3.617
   90   2HD2  LEU  10          3HD2      LEU  10   1.557   4.107   4.107
   91   3HD2  LEU  10          2HD2      LEU  10   1.470   2.416   2.416
   92    H    ILE  11           H        ILE  11  -3.063   5.210   5.210
   93    HA   ILE  11           HA       ILE  11  -4.388   7.417   7.417
   94    HB   ILE  11           HB       ILE  11  -5.809   7.289   7.289
   95   1HG1  ILE  11          2HG1      ILE  11  -4.796   5.795   5.795
   96   2HG1  ILE  11          1HG1      ILE  11  -3.273   6.386   6.386
   97   1HG2  ILE  11          3HG2      ILE  11  -4.832   4.923   4.923
   98   2HG2  ILE  11          2HG2      ILE  11  -5.195   4.545   4.545
   99   3HG2  ILE  11          1HG2      ILE  11  -6.442   5.241   5.241
  100   1HD1  ILE  11          1HD1      ILE  11  -5.497   8.326   8.326
  101   2HD1  ILE  11          3HD1      ILE  11  -4.499   7.767   7.767
  102   3HD1  ILE  11          2HD1      ILE  11  -3.760   8.612   8.612
  103    H    ASP  12           H        ASP  12  -1.897   7.265   7.265
  104    HA   ASP  12           HA       ASP  12  -2.074  10.029  10.029
  105   1HB   ASP  12          2HB       ASP  12  -0.792   7.623   7.623
  106   2HB   ASP  12          1HB       ASP  12   0.517   8.720   8.720
  107    H    VAL  13           H        VAL  13  -0.132   8.192   8.192
  108    HA   VAL  13           HA       VAL  13   1.696  10.191  10.191
  109    HB   VAL  13           HB       VAL  13   0.275   7.993   7.993
  110   1HG1  VAL  13          3HG1      VAL  13   1.478   9.898   9.898
  111   2HG1  VAL  13          2HG1      VAL  13   2.960   9.162   9.162
  112   3HG1  VAL  13          1HG1      VAL  13   1.863   8.224   8.224
  113   1HG2  VAL  13          1HG2      VAL  13   2.917   8.111   8.111
  114   2HG2  VAL  13          3HG2      VAL  13   1.506   7.144   7.144
  115   3HG2  VAL  13          2HG2      VAL  13   2.419   6.769   6.769
  116    H    PHE  14           H        PHE  14  -1.308   9.302   9.302
  117    HA   PHE  14           HA       PHE  14  -1.422  11.442  11.442
  118   1HB   PHE  14          2HB       PHE  14  -3.335   9.560   9.560
  119   2HB   PHE  14          1HB       PHE  14  -4.067  11.083  11.083
  120    HD1  PHE  14           HD2      PHE  14  -3.192  12.009  12.009
  121    HD2  PHE  14           HD1      PHE  14  -3.029   7.889   7.889
  122    HE1  PHE  14           HE2      PHE  14  -2.989  11.347  11.347
  123    HE2  PHE  14           HE1      PHE  14  -2.811   7.217   7.217
  124    HZ   PHE  14           HZ       PHE  14  -2.800   8.945   8.945
  125    H    HIS  15           H        HIS  15  -2.902  11.355  11.355
  126    HA   HIS  15           HA       HIS  15  -4.041  13.852  13.852
  127   1HB   HIS  15          2HB       HIS  15  -3.989  12.276  12.276
  128   2HB   HIS  15          1HB       HIS  15  -2.229  12.348  12.348
  129    HD1  HIS  15           HD1      HIS  15  -5.217  13.846  13.846
  130    HD2  HIS  15           HD2      HIS  15  -1.293  15.091  15.091
  131    HE1  HIS  15           HE1      HIS  15  -4.854  15.870  15.870
  132    H    GLN  16           H        GLN  16  -0.558  13.143  13.143
  133    HA   GLN  16           HA       GLN  16   0.141  15.996  15.996
  134   1HB   GLN  16          2HB       GLN  16   1.777  13.448  13.448
  135   2HB   GLN  16          1HB       GLN  16   2.416  15.040  15.040
  136   1HG   GLN  16          2HG       GLN  16   1.170  15.055  15.055
  137   2HG   GLN  16          1HG       GLN  16   0.308  13.584  13.584
  138   1HE2  GLN  16          2HE2      GLN  16   2.983  11.417  11.417
  139   2HE2  GLN  16          1HE2      GLN  16   1.495  11.542  11.542
  140    H    TYR  17           H        TYR  17   1.247  13.368  13.368
  141    HA   TYR  17           HA       TYR  17   2.405  14.690  14.690
  142   1HB   TYR  17          2HB       TYR  17   0.655  12.283  12.283
  143   2HB   TYR  17          1HB       TYR  17   1.117  12.790  12.790
  144    HD1  TYR  17           HD1      TYR  17   3.450  12.813  12.813
  145    HD2  TYR  17           HD2      TYR  17   2.320  11.554  11.554
  146    HE1  TYR  17           HE1      TYR  17   5.708  11.851  11.851
  147    HE2  TYR  17           HE2      TYR  17   4.567  10.560  10.560
  148    HH   TYR  17           HH       TYR  17   6.679  10.501  10.501
  149    H    SER  18           H        SER  18  -1.035  13.762  13.762
  150    HA   SER  18           HA       SER  18  -1.470  15.823  15.823
  151   1HB   SER  18          2HB       SER  18  -3.217  13.840  13.840
  152   2HB   SER  18          1HB       SER  18  -3.829  14.893  14.893
  153    HG   SER  18           HG       SER  18  -3.125  13.376  13.376
  154    H    GLY  19           H        GLY  19  -1.161  16.130  16.130
  155   1HA   GLY  19          2HA       GLY  19  -3.072  18.425  18.425
  156   2HA   GLY  19          1HA       GLY  19  -3.006  17.305  17.305
  157    H    ARG  20           H        ARG  20  -0.055  18.085  18.085
  158    HA   ARG  20           HA       ARG  20   0.711  19.936  19.936
  159   1HB   ARG  20          2HB       ARG  20   2.765  18.723  18.723
  160   2HB   ARG  20          1HB       ARG  20   1.503  17.494  17.494
  161   1HG   ARG  20          2HG       ARG  20   1.938  17.284  17.284
  162   2HG   ARG  20          1HG       ARG  20   3.290  18.402  18.402
  163   1HD   ARG  20          2HD       ARG  20   4.025  16.707  16.707
  164   2HD   ARG  20          1HD       ARG  20   3.034  15.573  15.573
  165    HE   ARG  20           HE       ARG  20   4.450  16.644  16.644
  166   1HH1  ARG  20          2HH1      ARG  20   5.265  14.924  14.924
  167   2HH1  ARG  20          1HH1      ARG  20   6.973  14.963  14.963
  168   1HH2  ARG  20          1HH2      ARG  20   6.746  17.082  17.082
  169   2HH2  ARG  20          2HH2      ARG  20   7.811  16.186  16.186
  170    H    GLU  21           H        GLU  21   0.079  19.853  19.853
  171    HA   GLU  21           HA       GLU  21   2.309  21.727  21.727
  172   1HB   GLU  21          2HB       GLU  21   1.927  19.192  19.192
  173   2HB   GLU  21          1HB       GLU  21   1.075  20.174  20.174
  174   1HG   GLU  21          2HG       GLU  21   3.643  21.336  21.336
  175   2HG   GLU  21          1HG       GLU  21   3.814  19.736  19.736
  176    H    GLY  22           H        GLY  22  -0.793  20.605  20.605
  177   1HA   GLY  22          2HA       GLY  22  -2.084  23.170  23.170
  178   2HA   GLY  22          1HA       GLY  22  -1.504  22.956  22.956
  179    H    ASP  23           H        ASP  23  -2.006  20.431  20.431
  180    HA   ASP  23           HA       ASP  23  -4.736  20.250  20.250
  181   1HB   ASP  23          2HB       ASP  23  -2.362  18.708  18.708
  182   2HB   ASP  23          1HB       ASP  23  -3.602  17.633  17.633
  183    H    LYS  24           H        LYS  24  -6.220  18.397  18.397
  184    HA   LYS  24           HA       LYS  24  -6.345  18.635  18.635
  185   1HB   LYS  24          2HB       LYS  24  -8.187  18.838  18.838
  186   2HB   LYS  24          1HB       LYS  24  -8.490  17.219  17.219
  187   1HG   LYS  24          2HG       LYS  24  -9.873  18.773  18.773
  188   2HG   LYS  24          1HG       LYS  24  -8.589  18.209  18.209
  189   1HD   LYS  24          2HD       LYS  24  -7.322  20.334  20.334
  190   2HD   LYS  24          1HD       LYS  24  -8.973  20.899  20.899
  191   1HE   LYS  24          2HE       LYS  24  -9.421  21.043  21.043
  192   2HE   LYS  24          1HE       LYS  24  -8.317  19.714  19.714
  193   1HZ   LYS  24          1HZ       LYS  24  -6.499  21.248  21.248
  194   2HZ   LYS  24          3HZ       LYS  24  -7.637  22.500  22.500
  195   3HZ   LYS  24          2HZ       LYS  24  -7.186  21.640  21.640
  196    H    HIS  25           H        HIS  25  -7.356  15.942  15.942
  197    HA   HIS  25           HA       HIS  25  -5.651  14.113  14.113
  198   1HB   HIS  25          2HB       HIS  25  -8.403  13.476  13.476
  199   2HB   HIS  25          1HB       HIS  25  -7.520  12.630  12.630
  200    HD1  HIS  25           HD1      HIS  25 -10.359  14.535  14.535
  201    HD2  HIS  25           HD2      HIS  25  -6.825  15.063  15.063
  202    HE1  HIS  25           HE1      HIS  25 -10.925  16.046  16.046
  203    H    LYS  26           H        LYS  26  -4.571  14.966  14.966
  204    HA   LYS  26           HA       LYS  26  -4.517  12.544  12.544
  205   1HB   LYS  26          2HB       LYS  26  -6.375  14.043  14.043
  206   2HB   LYS  26          1HB       LYS  26  -5.138  15.246  15.246
  207   1HG   LYS  26          2HG       LYS  26  -4.239  12.754  12.754
  208   2HG   LYS  26          1HG       LYS  26  -5.916  12.967  12.967
  209   1HD   LYS  26          2HD       LYS  26  -5.455  15.046  15.046
  210   2HD   LYS  26          1HD       LYS  26  -3.908  15.205  15.205
  211   1HE   LYS  26          2HE       LYS  26  -3.038  13.261  13.261
  212   2HE   LYS  26          1HE       LYS  26  -4.575  13.191  13.191
  213   1HZ   LYS  26          1HZ       LYS  26  -4.084  15.753  15.753
  214   2HZ   LYS  26          3HZ       LYS  26  -2.477  15.233  15.233
  215   3HZ   LYS  26          2HZ       LYS  26  -3.444  14.628  14.628
  216    H    LEU  27           H        LEU  27  -2.474  12.430  12.430
  217    HA   LEU  27           HA       LEU  27  -0.580  14.625  14.625
  218   1HB   LEU  27          2HB       LEU  27  -0.465  11.656  11.656
  219   2HB   LEU  27          1HB       LEU  27   1.019  12.490  12.490
  220    HG   LEU  27           HG       LEU  27  -0.262  13.799  13.799
  221   1HD1  LEU  27          1HD1      LEU  27  -0.161  10.861  10.861
  222   2HD1  LEU  27          3HD1      LEU  27   0.682  11.600  11.600
  223   3HD1  LEU  27          2HD1      LEU  27  -1.021  11.963  11.963
  224   1HD2  LEU  27          3HD2      LEU  27   2.258  13.499  13.499
  225   2HD2  LEU  27          2HD2      LEU  27   1.919  14.075  14.075
  226   3HD2  LEU  27          1HD2      LEU  27   2.313  12.377  12.377
  227    H    LYS  28           H        LYS  28   1.484  14.397  14.397
  228    HA   LYS  28           HA       LYS  28   0.606  14.090  14.090
  229   1HB   LYS  28          2HB       LYS  28   1.413  16.421  16.421
  230   2HB   LYS  28          1HB       LYS  28   2.507  16.163  16.163
  231   1HG   LYS  28          2HG       LYS  28   0.632  16.117  16.117
  232   2HG   LYS  28          1HG       LYS  28  -0.517  16.235  16.235
  233   1HD   LYS  28          2HD       LYS  28   1.423  18.354  18.354
  234   2HD   LYS  28          1HD       LYS  28   0.719  18.368  18.368
  235   1HE   LYS  28          2HE       LYS  28  -1.479  18.662  18.662
  236   2HE   LYS  28          1HE       LYS  28  -1.028  18.127  18.127
  237   1HZ   LYS  28          3HZ       LYS  28   0.667  20.082  20.082
  238   2HZ   LYS  28          2HZ       LYS  28  -0.452  20.677  20.677
  239   3HZ   LYS  28          1HZ       LYS  28  -0.932  20.389  20.389
  240    H    LYS  29           H        LYS  29   2.376  13.525  13.525
  241    HA   LYS  29           HA       LYS  29   4.199  11.602  11.602
  242   1HB   LYS  29          2HB       LYS  29   4.456  13.848  13.848
  243   2HB   LYS  29          1HB       LYS  29   5.518  12.441  12.441
  244   1HG   LYS  29          2HG       LYS  29   3.881  11.012  11.012
  245   2HG   LYS  29          1HG       LYS  29   2.590  11.911  11.911
  246   1HD   LYS  29          2HD       LYS  29   4.066  12.795  12.795
  247   2HD   LYS  29          1HD       LYS  29   2.432  12.130  12.130
  248   1HE   LYS  29          2HE       LYS  29   1.630  14.213  14.213
  249   2HE   LYS  29          1HE       LYS  29   2.539  14.266  14.266
  250   1HZ   LYS  29          3HZ       LYS  29   4.525  14.603  14.603
  251   2HZ   LYS  29          2HZ       LYS  29   3.290  15.265  15.265
  252   3HZ   LYS  29          1HZ       LYS  29   3.617  15.916  15.916
  253    H    SER  30           H        SER  30   4.771  15.134  15.134
  254    HA   SER  30           HA       SER  30   7.483  15.057  15.057
  255   1HB   SER  30          2HB       SER  30   5.546  16.941  16.941
  256   2HB   SER  30          1HB       SER  30   5.799  17.205  17.205
  257    HG   SER  30           HG       SER  30   7.336  17.951  17.951
  258    H    GLU  31           H        GLU  31   4.510  15.569  15.569
  259    HA   GLU  31           HA       GLU  31   5.817  15.281  15.281
  260   1HB   GLU  31          2HB       GLU  31   2.962  14.885  14.885
  261   2HB   GLU  31          1HB       GLU  31   3.426  14.907  14.907
  262   1HG   GLU  31          2HG       GLU  31   4.027  17.171  17.171
  263   2HG   GLU  31          1HG       GLU  31   4.240  17.168  17.168
  264    H    LEU  32           H        LEU  32   4.464  13.015  13.015
  265    HA   LEU  32           HA       LEU  32   4.292  10.678  10.678
  266   1HB   LEU  32          2HB       LEU  32   3.440  10.995  10.995
  267   2HB   LEU  32          1HB       LEU  32   5.105  10.993  10.993
  268    HG   LEU  32           HG       LEU  32   5.440   8.721   8.721
  269   1HD1  LEU  32          2HD1      LEU  32   2.970   9.285   9.285
  270   2HD1  LEU  32          1HD1      LEU  32   3.163   7.640   7.640
  271   3HD1  LEU  32          3HD1      LEU  32   4.391   8.341   8.341
  272   1HD2  LEU  32          3HD2      LEU  32   3.619   9.451   9.451
  273   2HD2  LEU  32          2HD2      LEU  32   4.288   7.834   7.834
  274   3HD2  LEU  32          1HD2      LEU  32   2.732   8.249   8.249
  275    H    LYS  33           H        LYS  33   7.005  12.086  12.086
  276    HA   LYS  33           HA       LYS  33   8.939  10.057  10.057
  277   1HB   LYS  33          2HB       LYS  33   9.103  11.959  11.959
  278   2HB   LYS  33          1HB       LYS  33   9.317  13.059  13.059
  279   1HG   LYS  33          2HG       LYS  33  11.463  12.238  12.238
  280   2HG   LYS  33          1HG       LYS  33  11.392  12.060  12.060
  281   1HD   LYS  33          2HD       LYS  33  10.875   9.726   9.726
  282   2HD   LYS  33          1HD       LYS  33  10.581   9.848   9.848
  283   1HE   LYS  33          2HE       LYS  33  13.282  10.593  10.593
  284   2HE   LYS  33          1HE       LYS  33  12.883   8.896   8.896
  285   1HZ   LYS  33          3HZ       LYS  33  12.072   9.678   9.678
  286   2HZ   LYS  33          2HZ       LYS  33  12.776  11.187  11.187
  287   3HZ   LYS  33          1HZ       LYS  33  13.750   9.798   9.798
  288    H    GLU  34           H        GLU  34   8.341  13.158  13.158
  289    HA   GLU  34           HA       GLU  34  10.136  12.894  12.894
  290   1HB   GLU  34          2HB       GLU  34   7.909  14.445  14.445
  291   2HB   GLU  34          1HB       GLU  34   7.447  13.703  13.703
  292   1HG   GLU  34          2HG       GLU  34   8.573  15.691  15.691
  293   2HG   GLU  34          1HG       GLU  34   9.792  14.430  14.430
  294    H    LEU  35           H        LEU  35   6.888  11.544  11.544
  295    HA   LEU  35           HA       LEU  35   6.598  10.242  10.242
  296   1HB   LEU  35          2HB       LEU  35   5.075  10.637  10.637
  297   2HB   LEU  35          1HB       LEU  35   5.688   9.062   9.062
  298    HG   LEU  35           HG       LEU  35   4.941   8.974   8.974
  299   1HD1  LEU  35          1HD1      LEU  35   3.280  10.676  10.676
  300   2HD1  LEU  35          3HD1      LEU  35   2.398   9.170   9.170
  301   3HD1  LEU  35          2HD1      LEU  35   2.985  10.098  10.098
  302   1HD2  LEU  35          1HD2      LEU  35   5.115   7.288   7.288
  303   2HD2  LEU  35          3HD2      LEU  35   4.158   6.944   6.944
  304   3HD2  LEU  35          2HD2      LEU  35   3.376   7.591   7.591
  305    H    ILE  36           H        ILE  36   8.159   9.060   9.060
  306    HA   ILE  36           HA       ILE  36   8.865   6.503   6.503
  307    HB   ILE  36           HB       ILE  36   9.294   7.917   7.917
  308   1HG1  ILE  36          2HG1      ILE  36   8.146   5.963   5.963
  309   2HG1  ILE  36          1HG1      ILE  36   8.268   5.148   5.148
  310   1HG2  ILE  36          2HG2      ILE  36  10.783   5.486   5.486
  311   2HG2  ILE  36          1HG2      ILE  36  10.596   5.848   5.848
  312   3HG2  ILE  36          3HG2      ILE  36  11.466   6.969   6.969
  313   1HD1  ILE  36          3HD1      ILE  36   6.801   7.761   7.761
  314   2HD1  ILE  36          2HD1      ILE  36   6.019   6.181   6.181
  315   3HD1  ILE  36          1HD1      ILE  36   6.821   6.791   6.791
  316    H    ASN  37           H        ASN  37  10.219   9.687   9.687
  317    HA   ASN  37           HA       ASN  37  12.970   8.849   8.849
  318   1HB   ASN  37          2HB       ASN  37  11.538  11.403  11.403
  319   2HB   ASN  37          1HB       ASN  37  13.188  11.409  11.409
  320   1HD2  ASN  37          2HD2      ASN  37  13.132   9.165   9.165
  321   2HD2  ASN  37          1HD2      ASN  37  12.311   8.676   8.676
  322    H    ASN  38           H        ASN  38  10.094   9.860   9.860
  323    HA   ASN  38           HA       ASN  38  11.427  10.859  10.859
  324   1HB   ASN  38          2HB       ASN  38   8.723  10.485  10.485
  325   2HB   ASN  38          1HB       ASN  38   8.808  10.215  10.215
  326   1HD2  ASN  38          2HD2      ASN  38   9.872  13.944  13.944
  327   2HD2  ASN  38          1HD2      ASN  38  10.158  12.588  12.588
  328    H    GLU  39           H        GLU  39  10.703   7.833   7.833
  329    HA   GLU  39           HA       GLU  39  10.975   6.428   6.428
  330   1HB   GLU  39          2HB       GLU  39   9.730   4.621   4.621
  331   2HB   GLU  39          1HB       GLU  39   8.824   6.118   6.118
  332   1HG   GLU  39          2HG       GLU  39   9.402   6.769   6.769
  333   2HG   GLU  39          1HG       GLU  39  10.392   5.327   5.327
  334    H    LEU  40           H        LEU  40  11.866   6.371   6.371
  335    HA   LEU  40           HA       LEU  40  14.049   4.428   4.428
  336   1HB   LEU  40          2HB       LEU  40  12.774   5.313   5.313
  337   2HB   LEU  40          1HB       LEU  40  14.041   4.094   4.094
  338    HG   LEU  40           HG       LEU  40  11.437   3.862   3.862
  339   1HD1  LEU  40          2HD1      LEU  40  11.713   3.815   3.815
  340   2HD1  LEU  40          1HD1      LEU  40  11.667   2.122   2.122
  341   3HD1  LEU  40          3HD1      LEU  40  10.349   3.205   3.205
  342   1HD2  LEU  40          2HD2      LEU  40  13.761   2.507   2.507
  343   2HD2  LEU  40          1HD2      LEU  40  12.180   1.772   1.772
  344   3HD2  LEU  40          3HD2      LEU  40  13.012   1.533   1.533
  345    H    SER  41           H        SER  41  14.976   6.653   6.653
  346    HA   SER  41           HA       SER  41  15.903   8.802   8.802
  347   1HB   SER  41          2HB       SER  41  17.217   7.118   7.118
  348   2HB   SER  41          1HB       SER  41  17.906   8.640   8.640
  349    HG   SER  41           HG       SER  41  16.160   9.713   9.713
  350    H    HIS  42           H        HIS  42  16.990   5.461   5.461
  351    HA   HIS  42           HA       HIS  42  19.456   5.823   5.823
  352   1HB   HIS  42          2HB       HIS  42  17.377   3.613   3.613
  353   2HB   HIS  42          1HB       HIS  42  18.958   3.428   3.428
  354    HD1  HIS  42           HD1      HIS  42  19.297   1.550   1.550
  355    HD2  HIS  42           HD2      HIS  42  19.164   5.513   5.513
  356    HE1  HIS  42           HE1      HIS  42  20.265   1.578   1.578
  357    H    PHE  43           H        PHE  43  16.083   5.767   5.767
  358    HA   PHE  43           HA       PHE  43  16.681   5.624   5.624
  359   1HB   PHE  43          2HB       PHE  43  14.295   6.137   6.137
  360   2HB   PHE  43          1HB       PHE  43  14.183   6.485   6.485
  361    HD1  PHE  43           HD2      PHE  43  16.310   3.799   3.799
  362    HD2  PHE  43           HD1      PHE  43  12.608   4.759   4.759
  363    HE1  PHE  43           HE2      PHE  43  15.919   1.390   1.390
  364    HE2  PHE  43           HE1      PHE  43  12.223   2.351   2.351
  365    HZ   PHE  43           HZ       PHE  43  13.882   0.667   0.667
  366    H    LEU  44           H        LEU  44  16.724   8.117   8.117
  367    HA   LEU  44           HA       LEU  44  15.983  10.437  10.437
  368   1HB   LEU  44          2HB       LEU  44  17.016   9.921   9.921
  369   2HB   LEU  44          1HB       LEU  44  18.527  10.360  10.360
  370    HG   LEU  44           HG       LEU  44  17.523  12.501  12.501
  371   1HD1  LEU  44          3HD1      LEU  44  15.119  11.135  11.135
  372   2HD1  LEU  44          2HD1      LEU  44  15.230  12.487  12.487
  373   3HD1  LEU  44          1HD1      LEU  44  15.291  12.782  12.782
  374   1HD2  LEU  44          1HD2      LEU  44  18.636  12.112  12.112
  375   2HD2  LEU  44          3HD2      LEU  44  17.656  13.567  13.567
  376   3HD2  LEU  44          2HD2      LEU  44  16.997  12.164  12.164
  377    H    GLU  45           H        GLU  45  18.822   8.428   8.428
  378    HA   GLU  45           HA       GLU  45  20.125  10.122  10.122
  379   1HB   GLU  45          2HB       GLU  45  20.842   8.281   8.281
  380   2HB   GLU  45          1HB       GLU  45  21.271   7.507   7.507
  381   1HG   GLU  45          2HG       GLU  45  23.114   8.800   8.800
  382   2HG   GLU  45          1HG       GLU  45  22.063  10.205  10.205
  383    H    GLU  46           H        GLU  46  18.213   7.223   7.223
  384    HA   GLU  46           HA       GLU  46  17.093   5.911   5.911
  385   1HB   GLU  46          2HB       GLU  46  17.053   8.352   8.352
  386   2HB   GLU  46          1HB       GLU  46  18.236   7.737   7.737
  387   1HG   GLU  46          2HG       GLU  46  16.565   6.837   6.837
  388   2HG   GLU  46          1HG       GLU  46  16.155   5.807   5.807
  389    H    ILE  47           H        ILE  47  20.428   6.262   6.262
  390    HA   ILE  47           HA       ILE  47  21.078   4.487   4.487
  391    HB   ILE  47           HB       ILE  47  22.480   6.429   6.429
  392   1HG1  ILE  47          2HG1      ILE  47  24.637   5.252   5.252
  393   2HG1  ILE  47          1HG1      ILE  47  23.788   3.790   3.790
  394   1HG2  ILE  47          2HG2      ILE  47  21.863   5.500   5.500
  395   2HG2  ILE  47          1HG2      ILE  47  23.618   5.428   5.428
  396   3HG2  ILE  47          3HG2      ILE  47  22.767   6.952   6.952
  397   1HD1  ILE  47          2HD1      ILE  47  23.360   5.173   5.173
  398   2HD1  ILE  47          1HD1      ILE  47  24.422   3.785   3.785
  399   3HD1  ILE  47          3HD1      ILE  47  22.687   3.622   3.622
  400    H    LYS  48           H        LYS  48  20.423   4.360   4.360
  401    HA   LYS  48           HA       LYS  48  21.862   2.016   2.016
  402   1HB   LYS  48          2HB       LYS  48  19.352   3.450   3.450
  403   2HB   LYS  48          1HB       LYS  48  19.811   1.933   1.933
  404   1HG   LYS  48          2HG       LYS  48  20.716   3.873   3.873
  405   2HG   LYS  48          1HG       LYS  48  22.013   2.876   2.876
  406   1HD   LYS  48          2HD       LYS  48  22.394   4.403   4.403
  407   2HD   LYS  48          1HD       LYS  48  20.910   5.290   5.290
  408   1HE   LYS  48          2HE       LYS  48  22.015   6.620   6.620
  409   2HE   LYS  48          1HE       LYS  48  22.588   5.201   5.201
  410   1HZ   LYS  48          3HZ       LYS  48  23.758   6.216   6.216
  411   2HZ   LYS  48          2HZ       LYS  48  24.437   6.429   6.429
  412   3HZ   LYS  48          1HZ       LYS  48  24.304   4.871   4.871
  413    H    GLU  49           H        GLU  49  19.329   2.412   2.412
  414    HA   GLU  49           HA       GLU  49  18.850  -0.539  -0.539
  415   1HB   GLU  49          2HB       GLU  49  16.408  -0.007  -0.007
  416   2HB   GLU  49          1HB       GLU  49  17.129   0.503   0.503
  417   1HG   GLU  49          2HG       GLU  49  17.275   2.525   2.525
  418   2HG   GLU  49          1HG       GLU  49  15.638   2.143   2.143
  419    H    GLN  50           H        GLN  50  20.072  -0.561  -0.561
  420    HA   GLN  50           HA       GLN  50  19.533   1.152   1.152
  421   1HB   GLN  50          2HB       GLN  50  20.888  -1.466  -1.466
  422   2HB   GLN  50          1HB       GLN  50  20.613  -0.990  -0.990
  423   1HG   GLN  50          2HG       GLN  50  21.633   1.228   1.228
  424   2HG   GLN  50          1HG       GLN  50  22.727  -0.155  -0.155
  425   1HE2  GLN  50          2HE2      GLN  50  23.652   0.146   0.146
  426   2HE2  GLN  50          1HE2      GLN  50  23.749  -0.797  -0.797
  427    H    GLU  51           H        GLU  51  19.064  -2.325  -2.325
  428    HA   GLU  51           HA       GLU  51  17.158  -2.386  -2.386
  429   1HB   GLU  51          2HB       GLU  51  18.209  -4.341  -4.341
  430   2HB   GLU  51          1HB       GLU  51  17.203  -4.087  -4.087
  431   1HG   GLU  51          2HG       GLU  51  15.235  -4.156  -4.156
  432   2HG   GLU  51          1HG       GLU  51  16.414  -5.055  -5.055
  433    H    VAL  52           H        VAL  52  16.563  -1.517  -1.517
  434    HA   VAL  52           HA       VAL  52  13.656  -1.577  -1.577
  435    HB   VAL  52           HB       VAL  52  15.159   0.008   0.008
  436   1HG1  VAL  52          3HG1      VAL  52  12.530  -0.548  -0.548
  437   2HG1  VAL  52          2HG1      VAL  52  13.011  -1.936  -1.936
  438   3HG1  VAL  52          1HG1      VAL  52  13.271  -0.301  -0.301
  439   1HG2  VAL  52          2HG2      VAL  52  15.534  -2.831  -2.831
  440   2HG2  VAL  52          1HG2      VAL  52  16.439  -1.797  -1.797
  441   3HG2  VAL  52          3HG2      VAL  52  14.948  -2.571  -2.571
  442    H    VAL  53           H        VAL  53  16.222   0.893   0.893
  443    HA   VAL  53           HA       VAL  53  14.717   3.251   3.251
  444    HB   VAL  53           HB       VAL  53  17.228   2.223   2.223
  445   1HG1  VAL  53          3HG1      VAL  53  15.645   4.622   4.622
  446   2HG1  VAL  53          2HG1      VAL  53  17.366   4.901   4.901
  447   3HG1  VAL  53          1HG1      VAL  53  16.836   3.732   3.732
  448   1HG2  VAL  53          2HG2      VAL  53  16.614   3.370   3.370
  449   2HG2  VAL  53          1HG2      VAL  53  18.225   3.140   3.140
  450   3HG2  VAL  53          3HG2      VAL  53  17.378   4.668   4.668
  451    H    ASP  54           H        ASP  54  15.264   0.662   0.662
  452    HA   ASP  54           HA       ASP  54  13.928   1.887   1.887
  453   1HB   ASP  54          2HB       ASP  54  15.361   0.126   0.126
  454   2HB   ASP  54          1HB       ASP  54  14.910  -0.812  -0.812
  455    H    LYS  55           H        LYS  55  12.994  -0.402  -0.402
  456    HA   LYS  55           HA       LYS  55  10.203  -0.560  -0.560
  457   1HB   LYS  55          2HB       LYS  55  11.942  -1.469  -1.469
  458   2HB   LYS  55          1HB       LYS  55  10.191  -1.526  -1.526
  459   1HG   LYS  55          2HG       LYS  55  10.275  -3.504  -3.504
  460   2HG   LYS  55          1HG       LYS  55  10.539  -2.551  -2.551
  461   1HD   LYS  55          2HD       LYS  55  12.964  -2.679  -2.679
  462   2HD   LYS  55          1HD       LYS  55  12.724  -3.608  -3.608
  463   1HE   LYS  55          2HE       LYS  55  11.368  -4.659  -4.659
  464   2HE   LYS  55          1HE       LYS  55  13.137  -4.798  -4.798
  465   1HZ   LYS  55          2HZ       LYS  55  11.319  -5.597  -5.597
  466   2HZ   LYS  55          1HZ       LYS  55  12.028  -6.678  -6.678
  467   3HZ   LYS  55          3HZ       LYS  55  13.006  -5.791  -5.791
  468    H    VAL  56           H        VAL  56  11.590   0.631   0.631
  469    HA   VAL  56           HA       VAL  56   9.573   2.036   2.036
  470    HB   VAL  56           HB       VAL  56  12.471   2.749   2.749
  471   1HG1  VAL  56          2HG1      VAL  56  10.343   4.422   4.422
  472   2HG1  VAL  56          1HG1      VAL  56  11.695   4.174   4.174
  473   3HG1  VAL  56          3HG1      VAL  56  11.977   4.865   4.865
  474   1HG2  VAL  56          2HG2      VAL  56  11.088   0.954   0.954
  475   2HG2  VAL  56          1HG2      VAL  56  12.803   1.366   1.366
  476   3HG2  VAL  56          3HG2      VAL  56  11.651   2.271   2.271
  477    H    MET  57           H        MET  57  11.466   3.210   3.210
  478    HA   MET  57           HA       MET  57   9.916   5.696   5.696
  479   1HB   MET  57          2HB       MET  57  11.990   4.344   4.344
  480   2HB   MET  57          1HB       MET  57  11.350   5.961   5.961
  481   1HG   MET  57          2HG       MET  57  12.838   5.054   5.054
  482   2HG   MET  57          1HG       MET  57  13.455   6.133   6.133
  483   1HE   MET  57          2HE       MET  57  13.370   8.477   8.477
  484   2HE   MET  57          1HE       MET  57  11.821   8.284   8.284
  485   3HE   MET  57          3HE       MET  57  11.996   9.461   9.461
  486    H    GLU  58           H        GLU  58   9.906   2.515   2.515
  487    HA   GLU  58           HA       GLU  58   8.351   3.115   3.115
  488   1HB   GLU  58          2HB       GLU  58   8.141   0.802   0.802
  489   2HB   GLU  58          1HB       GLU  58   9.490   0.919   0.919
  490   1HG   GLU  58          2HG       GLU  58   8.100  -0.598  -0.598
  491   2HG   GLU  58          1HG       GLU  58   7.600   0.922   0.922
  492    H    THR  59           H        THR  59   7.350   2.644   2.644
  493    HA   THR  59           HA       THR  59   4.494   2.881   2.881
  494    HB   THR  59           HB       THR  59   6.085   2.424   2.424
  495    HG1  THR  59           HG1      THR  59   4.759   0.465   0.465
  496   1HG2  THR  59          1HG2      THR  59   4.023   3.851   3.851
  497   2HG2  THR  59          3HG2      THR  59   3.067   2.497   2.497
  498   3HG2  THR  59          2HG2      THR  59   4.039   2.310   2.310
  499    H    LEU  60           H        LEU  60   7.037   4.740   4.740
  500    HA   LEU  60           HA       LEU  60   5.352   6.879   6.879
  501   1HB   LEU  60          2HB       LEU  60   7.973   6.042   6.042
  502   2HB   LEU  60          1HB       LEU  60   8.123   7.525   7.525
  503    HG   LEU  60           HG       LEU  60   6.764   7.212   7.212
  504   1HD1  LEU  60          1HD1      LEU  60   9.243   7.391   7.391
  505   2HD1  LEU  60          3HD1      LEU  60   9.126   8.888   8.888
  506   3HD1  LEU  60          2HD1      LEU  60   8.479   8.811   8.811
  507   1HD2  LEU  60          2HD2      LEU  60   6.680   9.381   9.381
  508   2HD2  LEU  60          1HD2      LEU  60   5.387   8.784   8.784
  509   3HD2  LEU  60          3HD2      LEU  60   6.642   9.827   9.827
  510    H    ASP  61           H        ASP  61   7.375   6.529   6.529
  511    HA   ASP  61           HA       ASP  61   7.207   9.007   9.007
  512   1HB   ASP  61          2HB       ASP  61   8.321   7.112   7.112
  513   2HB   ASP  61          1HB       ASP  61   6.794   6.244   6.244
  514    H    SER  62           H        SER  62   4.717   6.458   6.458
  515    HA   SER  62           HA       SER  62   2.776   8.456   8.456
  516   1HB   SER  62          2HB       SER  62   1.688   5.833   5.833
  517   2HB   SER  62          1HB       SER  62   1.965   6.632   6.632
  518    HG   SER  62           HG       SER  62   3.190   4.727   4.727
  519    H    ASP  63           H        ASP  63   2.921   6.029   6.029
  520    HA   ASP  63           HA       ASP  63   1.698   5.933   5.933
  521   1HB   ASP  63          2HB       ASP  63   3.610   7.701   7.701
  522   2HB   ASP  63          1HB       ASP  63   2.292   8.875   8.875
  523    H    GLY  64           H        GLY  64  -0.548   5.733   5.733
  524   1HA   GLY  64          2HA       GLY  64  -2.773   6.393   6.393
  525   2HA   GLY  64          1HA       GLY  64  -2.464   7.407   7.407
  526    H    ASP  65           H        ASP  65  -0.952   7.678   7.678
  527    HA   ASP  65           HA       ASP  65  -0.594   9.679   9.679
  528   1HB   ASP  65          2HB       ASP  65  -2.288   8.715   8.715
  529   2HB   ASP  65          1HB       ASP  65  -3.466   8.832   8.832
  530    H    GLY  66           H        GLY  66   0.175  11.141  11.141
  531   1HA   GLY  66          2HA       GLY  66   0.079  13.055  13.055
  532   2HA   GLY  66          1HA       GLY  66  -1.120  13.604  13.604
  533    H    GLU  67           H        GLU  67  -1.426  10.830  10.830
  534    HA   GLU  67           HA       GLU  67  -3.352  12.351  12.351
  535   1HB   GLU  67          2HB       GLU  67  -4.374  11.224  11.224
  536   2HB   GLU  67          1HB       GLU  67  -4.175   9.726   9.726
  537   1HG   GLU  67          2HG       GLU  67  -5.615  10.462  10.462
  538   2HG   GLU  67          1HG       GLU  67  -5.547  12.137  12.137
  539    H    CYS  68           H        CYS  68  -1.784  11.940  11.940
  540    HA   CYS  68           HA       CYS  68  -1.381   9.076   9.076
  541   1HB   CYS  68          2HB       CYS  68  -0.154  11.574  11.574
  542   2HB   CYS  68          1HB       CYS  68   0.456   9.923   9.923
  543    HG   CYS  68           HG       CYS  68   0.817  10.104  10.104
  544    H    ASP  69           H        ASP  69  -3.902   9.460   9.460
  545    HA   ASP  69           HA       ASP  69  -4.353  10.826  10.826
  546   1HB   ASP  69          2HB       ASP  69  -5.823  10.742  10.742
  547   2HB   ASP  69          1HB       ASP  69  -6.328   9.172   9.172
  548    H    PHE  70           H        PHE  70  -5.953   9.569   9.569
  549    HA   PHE  70           HA       PHE  70  -5.046   8.028   8.028
  550   1HB   PHE  70          2HB       PHE  70  -7.526   7.885   7.885
  551   2HB   PHE  70          1HB       PHE  70  -7.246   6.529   6.529
  552    HD1  PHE  70           HD1      PHE  70  -5.774   9.806   9.806
  553    HD2  PHE  70           HD2      PHE  70  -9.077   7.215   7.215
  554    HE1  PHE  70           HE1      PHE  70  -6.365  11.236  11.236
  555    HE2  PHE  70           HE2      PHE  70  -9.672   8.648   8.648
  556    HZ   PHE  70           HZ       PHE  70  -8.302  10.666  10.666
  557    H    GLN  71           H        GLN  71  -6.470   5.838   5.838
  558    HA   GLN  71           HA       GLN  71  -4.720   3.682   3.682
  559   1HB   GLN  71          2HB       GLN  71  -5.898   2.600   2.600
  560   2HB   GLN  71          1HB       GLN  71  -6.970   3.352   3.352
  561   1HG   GLN  71          2HG       GLN  71  -7.790   4.755   4.755
  562   2HG   GLN  71          1HG       GLN  71  -6.168   5.304   5.304
  563   1HE2  GLN  71          2HE2      GLN  71  -6.052   3.427   3.427
  564   2HE2  GLN  71          1HE2      GLN  71  -5.311   4.589   4.589
  565    H    GLU  72           H        GLU  72  -4.121   6.320   6.320
  566    HA   GLU  72           HA       GLU  72  -2.431   4.956   4.956
  567   1HB   GLU  72          2HB       GLU  72  -2.442   7.899   7.899
  568   2HB   GLU  72          1HB       GLU  72  -2.223   7.125   7.125
  569   1HG   GLU  72          2HG       GLU  72  -4.718   6.222   6.222
  570   2HG   GLU  72          1HG       GLU  72  -4.690   7.912   7.912
  571    H    PHE  73           H        PHE  73  -1.952   6.847   6.847
  572    HA   PHE  73           HA       PHE  73   0.884   7.003   7.003
  573   1HB   PHE  73          2HB       PHE  73   0.094   8.331   8.331
  574   2HB   PHE  73          1HB       PHE  73  -1.272   7.275   7.275
  575    HD1  PHE  73           HD2      PHE  73   2.253   6.055   6.055
  576    HD2  PHE  73           HD1      PHE  73  -1.071   7.393   7.393
  577    HE1  PHE  73           HE2      PHE  73   3.334   5.163   5.163
  578    HE2  PHE  73           HE1      PHE  73   0.020   6.514   6.514
  579    HZ   PHE  73           HZ       PHE  73   2.224   5.396   5.396
  580    H    MET  74           H        MET  74  -1.069   4.666   4.666
  581    HA   MET  74           HA       MET  74   1.071   2.878   2.878
  582   1HB   MET  74          2HB       MET  74  -1.925   2.629   2.629
  583   2HB   MET  74          1HB       MET  74  -0.923   1.234   1.234
  584   1HG   MET  74          2HG       MET  74  -0.316   3.688   3.688
  585   2HG   MET  74          1HG       MET  74  -1.904   2.989   2.989
  586   1HE   MET  74          3HE       MET  74  -2.060   0.433   0.433
  587   2HE   MET  74          2HE       MET  74  -1.154  -0.672  -0.672
  588   3HE   MET  74          1HE       MET  74  -2.192   0.550   0.550
  589    H    ALA  75           H        ALA  75  -0.986   3.257   3.257
  590    HA   ALA  75           HA       ALA  75  -0.590   0.807   0.807
  591   1HB   ALA  75          2HB       ALA  75  -1.447   3.506   3.506
  592   2HB   ALA  75          1HB       ALA  75  -0.475   2.945   2.945
  593   3HB   ALA  75          3HB       ALA  75  -1.901   2.034   2.034
  594    H    PHE  76           H        PHE  76   1.304   3.791   3.791
  595    HA   PHE  76           HA       PHE  76   3.389   2.371   2.371
  596   1HB   PHE  76          2HB       PHE  76   2.881   4.587   4.587
  597   2HB   PHE  76          1HB       PHE  76   2.879   5.187   5.187
  598    HD1  PHE  76           HD2      PHE  76   5.213   3.378   3.378
  599    HD2  PHE  76           HD1      PHE  76   4.730   6.415   6.415
  600    HE1  PHE  76           HE2      PHE  76   7.613   3.967   3.967
  601    HE2  PHE  76           HE1      PHE  76   7.130   7.003   7.003
  602    HZ   PHE  76           HZ       PHE  76   8.572   5.779   5.779
  603    H    VAL  77           H        VAL  77   3.096   3.982   3.982
  604    HA   VAL  77           HA       VAL  77   5.756   3.527   3.527
  605    HB   VAL  77           HB       VAL  77   3.457   4.589   4.589
  606   1HG1  VAL  77          2HG1      VAL  77   2.818   2.143   2.143
  607   2HG1  VAL  77          1HG1      VAL  77   4.070   2.269   2.269
  608   3HG1  VAL  77          3HG1      VAL  77   2.683   3.358   3.358
  609   1HG2  VAL  77          3HG2      VAL  77   6.087   4.699   4.699
  610   2HG2  VAL  77          2HG2      VAL  77   4.878   5.376   5.376
  611   3HG2  VAL  77          1HG2      VAL  77   5.557   3.784   3.784
  612    H    ALA  78           H        ALA  78   3.076   1.388   1.388
  613    HA   ALA  78           HA       ALA  78   4.138  -0.882  -0.882
  614   1HB   ALA  78          1HB       ALA  78   2.064  -0.506  -0.506
  615   2HB   ALA  78          3HB       ALA  78   2.377  -2.063  -2.063
  616   3HB   ALA  78          2HB       ALA  78   1.772  -0.716  -0.716
  617    H    MET  79           H        MET  79   4.063   0.148   0.148
  618    HA   MET  79           HA       MET  79   5.516  -2.078  -2.078
  619   1HB   MET  79          2HB       MET  79   4.280  -0.448  -0.448
  620   2HB   MET  79          1HB       MET  79   5.345   0.848   0.848
  621   1HG   MET  79          2HG       MET  79   6.063   0.117   0.117
  622   2HG   MET  79          1HG       MET  79   7.275  -0.368  -0.368
  623   1HE   MET  79          2HE       MET  79   8.447  -2.067  -2.067
  624   2HE   MET  79          1HE       MET  79   7.805  -2.958  -2.958
  625   3HE   MET  79          3HE       MET  79   7.938  -3.742  -3.742
  626    H    ILE  80           H        ILE  80   6.521   0.925   0.925
  627    HA   ILE  80           HA       ILE  80   9.399   0.460   0.460
  628    HB   ILE  80           HB       ILE  80   8.014   2.292   2.292
  629   1HG1  ILE  80          2HG1      ILE  80   7.042   2.465   2.465
  630   2HG1  ILE  80          1HG1      ILE  80   7.838   3.940   3.940
  631   1HG2  ILE  80          1HG2      ILE  80  10.643   1.846   1.846
  632   2HG2  ILE  80          3HG2      ILE  80  10.457   3.038   3.038
  633   3HG2  ILE  80          2HG2      ILE  80  10.002   3.447   3.447
  634   1HD1  ILE  80          2HD1      ILE  80   9.807   2.294   2.294
  635   2HD1  ILE  80          1HD1      ILE  80   8.414   2.370   2.370
  636   3HD1  ILE  80          3HD1      ILE  80   9.199   3.857   3.857
  637    H    THR  81           H        THR  81   7.272   0.596   0.596
  638    HA   THR  81           HA       THR  81   8.901  -0.186  -0.186
  639    HB   THR  81           HB       THR  81   6.056  -0.865  -0.865
  640    HG1  THR  81           HG1      THR  81   5.678   0.656   0.656
  641   1HG2  THR  81          2HG2      THR  81   7.680  -1.878  -1.878
  642   2HG2  THR  81          1HG2      THR  81   6.044  -1.329  -1.329
  643   3HG2  THR  81          3HG2      THR  81   6.299  -2.612  -2.612
  644    H    THR  82           H        THR  82   7.753  -2.186  -2.186
  645    HA   THR  82           HA       THR  82   8.579  -4.710  -4.710
  646    HB   THR  82           HB       THR  82   8.185  -5.335  -5.335
  647    HG1  THR  82           HG1      THR  82   6.355  -3.610  -3.610
  648   1HG2  THR  82          1HG2      THR  82   6.305  -4.739  -4.739
  649   2HG2  THR  82          3HG2      THR  82   5.614  -5.110  -5.110
  650   3HG2  THR  82          2HG2      THR  82   6.665  -6.283  -6.283
  651    H    ALA  83           H        ALA  83  10.086  -2.202  -2.202
  652    HA   ALA  83           HA       ALA  83  12.325  -3.901  -3.901
  653   1HB   ALA  83          2HB       ALA  83  11.568  -0.974  -0.974
  654   2HB   ALA  83          1HB       ALA  83  13.067  -1.628  -1.628
  655   3HB   ALA  83          3HB       ALA  83  11.513  -2.194  -2.194
  656    H    CYS  84           H        CYS  84  11.467  -1.740  -1.740
  657    HA   CYS  84           HA       CYS  84  13.802  -0.644  -0.644
  658   1HB   CYS  84          2HB       CYS  84  11.605  -0.439  -0.439
  659   2HB   CYS  84          1HB       CYS  84  11.654  -2.135  -2.135
  660    HG   CYS  84           HG       CYS  84  12.490  -0.652  -0.652
  661    H    HIS  85           H        HIS  85  13.024  -3.287  -3.287
  662    HA   HIS  85           HA       HIS  85  15.195  -5.040  -5.040
  663   1HB   HIS  85          2HB       HIS  85  16.754  -4.474  -4.474
  664   2HB   HIS  85          1HB       HIS  85  16.241  -2.940  -2.940
  665    HD1  HIS  85           HD1      HIS  85  13.339  -3.460  -3.460
  666    HD2  HIS  85           HD2      HIS  85  17.187  -2.905  -2.905
  667    HE1  HIS  85           HE1      HIS  85  13.069  -2.639  -2.639
  668    H    GLU  86           H        GLU  86  15.680  -5.724  -5.724
  669    HA   GLU  86           HA       GLU  86  14.812  -7.310  -7.310
  670   1HB   GLU  86          2HB       GLU  86  13.234  -5.081  -5.081
  671   2HB   GLU  86          1HB       GLU  86  12.053  -6.336  -6.336
  672   1HG   GLU  86          2HG       GLU  86  12.169  -5.999  -5.999
  673   2HG   GLU  86          1HG       GLU  86  12.777  -7.600  -7.600
  674    H    PHE  87           H        PHE  87  11.980  -8.285  -8.285
  675    HA   PHE  87           HA       PHE  87  12.241 -10.688 -10.688
  676   1HB   PHE  87          2HB       PHE  87  10.237 -10.432 -10.432
  677   2HB   PHE  87          1HB       PHE  87   9.952  -8.815  -8.815
  678    HD1  PHE  87           HD2      PHE  87  10.238 -12.364 -12.364
  679    HD2  PHE  87           HD1      PHE  87   8.355  -8.541  -8.541
  680    HE1  PHE  87           HE2      PHE  87   8.842 -13.316 -13.316
  681    HE2  PHE  87           HE1      PHE  87   6.989  -9.478  -9.478
  682    HZ   PHE  87           HZ       PHE  87   7.223 -11.882 -11.882
  683    H    PHE  88           H        PHE  88  10.568  -7.903  -7.903
  684    HA   PHE  88           HA       PHE  88  10.169  -8.625  -8.625
  685   1HB   PHE  88          2HB       PHE  88  11.267  -6.092  -6.092
  686   2HB   PHE  88          1HB       PHE  88  10.906  -6.205  -6.205
  687    HD1  PHE  88           HD1      PHE  88   8.528  -8.215  -8.215
  688    HD2  PHE  88           HD2      PHE  88   9.547  -4.438  -4.438
  689    HE1  PHE  88           HE1      PHE  88   6.142  -7.797  -7.797
  690    HE2  PHE  88           HE2      PHE  88   7.151  -4.013  -4.013
  691    HZ   PHE  88           HZ       PHE  88   5.442  -5.687  -5.687
  692    H    GLU  89           H        GLU  89  12.963  -6.545  -6.545
  693    HA   GLU  89           HA       GLU  89  14.288  -7.757  -7.757
  694   1HB   GLU  89          2HB       GLU  89  14.602  -5.565  -5.565
  695   2HB   GLU  89          1HB       GLU  89  15.961  -6.547  -6.547
  696   1HG   GLU  89          2HG       GLU  89  16.818  -5.282  -5.282
  697   2HG   GLU  89          1HG       GLU  89  16.514  -6.889  -6.889
  698    H    HIS  90           H        HIS  90  14.141 -10.101 -10.101
  699    HA   HIS  90           HA       HIS  90  16.553 -11.278 -11.278
  700   1HB   HIS  90          2HB       HIS  90  15.020 -10.267 -10.267
  701   2HB   HIS  90          1HB       HIS  90  14.741 -12.008 -12.008
  702    HD1  HIS  90           HD1      HIS  90  17.727  -9.645  -9.645
  703    HD2  HIS  90           HD2      HIS  90  16.773 -13.370 -13.370
  704    HE1  HIS  90           HE1      HIS  90  19.812 -10.471 -10.471
  705    H    GLU  91           H        GLU  91  13.049 -11.584 -11.584
  706    HA   GLU  91           HA       GLU  91  11.709 -13.453 -13.453
  707   1HB   GLU  91          2HB       GLU  91  14.197 -13.518 -13.518
  708   2HB   GLU  91          1HB       GLU  91  12.866 -14.644 -14.644
  709   1HG   GLU  91          2HG       GLU  91  11.667 -12.108 -12.108
  710   2HG   GLU  91          1HG       GLU  91  13.068 -11.860 -11.860
  711   1H    MET   0          3H        MET   0   8.622   9.654   9.654
  712   2H    MET   0          2H        MET   0   8.966  11.213  11.213
  713   3H    MET   0          1H        MET   0   7.397  10.823  10.823
  714    HA   MET   0           HA       MET   0   8.020  11.802  11.802
  715   1HB   MET   0          2HB       MET   0  10.529  11.964  11.964
  716   2HB   MET   0          1HB       MET   0   9.983  12.756  12.756
  717   1HG   MET   0          2HG       MET   0  11.624  11.567  11.567
  718   2HG   MET   0          1HG       MET   0  10.524  10.199  10.199
  719   1HE   MET   0          2HE       MET   0  12.582   8.658   8.658
  720   2HE   MET   0          1HE       MET   0  13.984   8.675   8.675
  721   3HE   MET   0          3HE       MET   0  13.691  10.027  10.027
  722    H    SER   1           H        SER   1   9.896   8.847   8.847
  723    HA   SER   1           HA       SER   1   9.685   7.918   7.918
  724   1HB   SER   1          2HB       SER   1  11.291   7.442   7.442
  725   2HB   SER   1          1HB       SER   1  10.717   5.915   5.915
  726    HG   SER   1           HG       SER   1  11.968   7.986   7.986
  727    H    GLU   2           H        GLU   2   7.379   8.155   8.155
  728    HA   GLU   2           HA       GLU   2   6.268   5.850   5.850
  729   1HB   GLU   2          2HB       GLU   2   5.038   8.037   8.037
  730   2HB   GLU   2          1HB       GLU   2   4.068   6.834   6.834
  731   1HG   GLU   2          2HG       GLU   2   6.025   7.890   7.890
  732   2HG   GLU   2          1HG       GLU   2   5.181   9.235   9.235
  733    H    LEU   3           H        LEU   3   6.698   6.635   6.635
  734    HA   LEU   3           HA       LEU   3   5.104   4.389   4.389
  735   1HB   LEU   3          2HB       LEU   3   7.081   6.322   6.322
  736   2HB   LEU   3          1HB       LEU   3   6.176   5.139   5.139
  737    HG   LEU   3           HG       LEU   3   4.233   6.343   6.343
  738   1HD1  LEU   3          2HD1      LEU   3   6.488   8.186   8.186
  739   2HD1  LEU   3          1HD1      LEU   3   4.914   8.812   8.812
  740   3HD1  LEU   3          3HD1      LEU   3   5.179   8.294   8.294
  741   1HD2  LEU   3          1HD2      LEU   3   4.161   5.683   5.683
  742   2HD2  LEU   3          3HD2      LEU   3   3.450   7.265   7.265
  743   3HD2  LEU   3          2HD2      LEU   3   5.066   7.147   7.147
  744    H    GLU   4           H        GLU   4   8.641   5.098   5.098
  745    HA   GLU   4           HA       GLU   4   9.568   2.627   2.627
  746   1HB   GLU   4          2HB       GLU   4  11.175   4.296   4.296
  747   2HB   GLU   4          1HB       GLU   4  10.575   4.692   4.692
  748   1HG   GLU   4          2HG       GLU   4  11.449   2.541   2.541
  749   2HG   GLU   4          1HG       GLU   4  12.057   2.155   2.155
  750    H    LYS   5           H        LYS   5   8.390   3.537   3.537
  751    HA   LYS   5           HA       LYS   5   9.106   1.072   1.072
  752   1HB   LYS   5          2HB       LYS   5   6.854   2.947   2.947
  753   2HB   LYS   5          1HB       LYS   5   7.969   2.096   2.096
  754   1HG   LYS   5          2HG       LYS   5   9.579   3.747   3.747
  755   2HG   LYS   5          1HG       LYS   5   8.225   4.742   4.742
  756   1HD   LYS   5          2HD       LYS   5   8.798   4.572   4.572
  757   2HD   LYS   5          1HD       LYS   5   9.588   3.009   3.009
  758   1HE   LYS   5          2HE       LYS   5  11.483   4.077   4.077
  759   2HE   LYS   5          1HE       LYS   5  10.681   5.658   5.658
  760   1HZ   LYS   5          1HZ       LYS   5  10.950   4.049   4.049
  761   2HZ   LYS   5          3HZ       LYS   5  12.327   4.860   4.860
  762   3HZ   LYS   5          2HZ       LYS   5  10.925   5.739   5.739
  763    H    ALA   6           H        ALA   6   6.271   2.337   2.337
  764    HA   ALA   6           HA       ALA   6   4.536   0.088   0.088
  765   1HB   ALA   6          1HB       ALA   6   4.684   2.384   2.384
  766   2HB   ALA   6          3HB       ALA   6   3.491   1.111   1.111
  767   3HB   ALA   6          2HB       ALA   6   3.462   2.052   2.052
  768    H    VAL   7           H        VAL   7   7.001   0.864   0.864
  769    HA   VAL   7           HA       VAL   7   6.498  -1.241  -1.241
  770    HB   VAL   7           HB       VAL   7   8.676   0.647   0.647
  771   1HG1  VAL   7          3HG1      VAL   7   9.050  -1.864  -1.864
  772   2HG1  VAL   7          2HG1      VAL   7   9.940  -0.416  -0.416
  773   3HG1  VAL   7          1HG1      VAL   7  10.140  -1.084  -1.084
  774   1HG2  VAL   7          1HG2      VAL   7   6.694   0.365   0.365
  775   2HG2  VAL   7          3HG2      VAL   7   7.675   1.770   1.770
  776   3HG2  VAL   7          2HG2      VAL   7   8.303   0.556   0.556
  777    H    VAL   8           H        VAL   8   8.842  -0.932  -0.932
  778    HA   VAL   8           HA       VAL   8   9.843  -3.603  -3.603
  779    HB   VAL   8           HB       VAL   8   9.513  -1.506  -1.506
  780   1HG1  VAL   8          1HG1      VAL   8   9.594  -3.885  -3.885
  781   2HG1  VAL   8          3HG1      VAL   8  11.207  -4.005  -4.005
  782   3HG1  VAL   8          2HG1      VAL   8  10.882  -2.817  -2.817
  783   1HG2  VAL   8          1HG2      VAL   8  11.257  -1.780  -1.780
  784   2HG2  VAL   8          3HG2      VAL   8  11.466  -0.699  -0.699
  785   3HG2  VAL   8          2HG2      VAL   8  12.202  -2.302  -2.302
  786    H    ALA   9           H        ALA   9   6.845  -2.265  -2.265
  787    HA   ALA   9           HA       ALA   9   6.069  -4.481  -4.481
  788   1HB   ALA   9          2HB       ALA   9   5.368  -1.939  -1.939
  789   2HB   ALA   9          1HB       ALA   9   4.216  -2.500  -2.500
  790   3HB   ALA   9          3HB       ALA   9   4.158  -3.150  -3.150
  791    H    LEU  10           H        LEU  10   5.149  -3.297  -3.297
  792    HA   LEU  10           HA       LEU  10   3.357  -5.446  -5.446
  793   1HB   LEU  10          2HB       LEU  10   5.036  -3.689  -3.689
  794   2HB   LEU  10          1HB       LEU  10   3.540  -4.520  -4.520
  795    HG   LEU  10           HG       LEU  10   3.459  -2.722  -2.722
  796   1HD1  LEU  10          1HD1      LEU  10   3.811  -1.810  -1.810
  797   2HD1  LEU  10          3HD1      LEU  10   2.892  -0.841  -0.841
  798   3HD1  LEU  10          2HD1      LEU  10   4.591  -1.198  -1.198
  799   1HD2  LEU  10          1HD2      LEU  10   1.614  -3.473  -3.473
  800   2HD2  LEU  10          3HD2      LEU  10   1.441  -3.872  -3.872
  801   3HD2  LEU  10          2HD2      LEU  10   1.220  -2.209  -2.209
  802    H    ILE  11           H        ILE  11   6.834  -4.930  -4.930
  803    HA   ILE  11           HA       ILE  11   7.340  -7.197  -7.197
  804    HB   ILE  11           HB       ILE  11   9.609  -7.008  -7.008
  805   1HG1  ILE  11          2HG1      ILE  11   9.850  -5.425  -5.425
  806   2HG1  ILE  11          1HG1      ILE  11   8.229  -6.022  -6.022
  807   1HG2  ILE  11          3HG2      ILE  11   8.041  -4.681  -4.681
  808   2HG2  ILE  11          2HG2      ILE  11   9.289  -4.246  -4.246
  809   3HG2  ILE  11          1HG2      ILE  11   9.736  -4.995  -4.995
  810   1HD1  ILE  11          1HD1      ILE  11  10.371  -7.978  -7.978
  811   2HD1  ILE  11          3HD1      ILE  11  10.328  -7.344  -7.344
  812   3HD1  ILE  11          2HD1      ILE  11   8.943  -8.226  -8.226
  813    H    ASP  12           H        ASP  12   6.664  -6.923  -6.923
  814    HA   ASP  12           HA       ASP  12   7.338  -9.651  -9.651
  815   1HB   ASP  12          2HB       ASP  12   6.654  -7.200  -7.200
  816   2HB   ASP  12          1HB       ASP  12   5.340  -8.300  -8.300
  817    H    VAL  13           H        VAL  13   4.393  -7.882  -7.882
  818    HA   VAL  13           HA       VAL  13   2.453  -9.893  -9.893
  819    HB   VAL  13           HB       VAL  13   2.731  -7.772  -7.772
  820   1HG1  VAL  13          3HG1      VAL  13   1.018  -9.708  -9.708
  821   2HG1  VAL  13          2HG1      VAL  13   0.133  -8.937  -8.937
  822   3HG1  VAL  13          1HG1      VAL  13   0.452  -8.045  -8.045
  823   1HG2  VAL  13          1HG2      VAL  13   1.388  -7.800  -7.800
  824   2HG2  VAL  13          3HG2      VAL  13   2.788  -6.838  -6.838
  825   3HG2  VAL  13          2HG2      VAL  13   1.209  -6.503  -6.503
  826    H    PHE  14           H        PHE  14   3.903  -9.104  -9.104
  827    HA   PHE  14           HA       PHE  14   3.046 -11.321 -11.321
  828   1HB   PHE  14          2HB       PHE  14   5.300  -9.409  -9.409
  829   2HB   PHE  14          1HB       PHE  14   5.621 -10.958 -10.958
  830    HD1  PHE  14           HD2      PHE  14   3.616 -11.962 -11.962
  831    HD2  PHE  14           HD1      PHE  14   4.105  -7.798  -7.798
  832    HE1  PHE  14           HE2      PHE  14   2.107 -11.388 -11.388
  833    HE2  PHE  14           HE1      PHE  14   2.579  -7.216  -7.216
  834    HZ   PHE  14           HZ       PHE  14   1.580  -9.009  -9.009
  835    H    HIS  15           H        HIS  15   6.120 -11.108 -11.108
  836    HA   HIS  15           HA       HIS  15   7.230 -13.603 -13.603
  837   1HB   HIS  15          2HB       HIS  15   8.196 -11.953 -11.953
  838   2HB   HIS  15          1HB       HIS  15   6.791 -12.006 -12.006
  839    HD1  HIS  15           HD1      HIS  15  10.085 -13.475 -13.475
  840    HD2  HIS  15           HD2      HIS  15   6.494 -14.707 -14.707
  841    HE1  HIS  15           HE1      HIS  15  10.644 -15.440 -15.440
  842    H    GLN  16           H        GLN  16   4.536 -12.850 -12.850
  843    HA   GLN  16           HA       GLN  16   4.104 -15.688 -15.688
  844   1HB   GLN  16          2HB       GLN  16   2.546 -13.135 -13.135
  845   2HB   GLN  16          1HB       GLN  16   2.280 -14.704 -14.704
  846   1HG   GLN  16          2HG       GLN  16   4.483 -14.661 -14.661
  847   2HG   GLN  16          1HG       GLN  16   4.918 -13.215 -13.215
  848   1HE2  GLN  16          2HE2      GLN  16   3.188 -10.995 -10.995
  849   2HE2  GLN  16          1HE2      GLN  16   3.947 -11.160 -11.160
  850    H    TYR  17           H        TYR  17   1.974 -13.130 -13.130
  851    HA   TYR  17           HA       TYR  17  -0.148 -14.520 -14.520
  852   1HB   TYR  17          2HB       TYR  17   1.422 -12.119 -12.119
  853   2HB   TYR  17          1HB       TYR  17   0.135 -12.678 -12.678
  854    HD1  TYR  17           HD1      TYR  17  -2.198 -12.730 -12.730
  855    HD2  TYR  17           HD2      TYR  17   0.934 -11.302 -11.302
  856    HE1  TYR  17           HE1      TYR  17  -3.901 -11.740 -11.740
  857    HE2  TYR  17           HE2      TYR  17  -0.762 -10.279 -10.279
  858    HH   TYR  17           HH       TYR  17  -2.968 -10.248 -10.248
  859    H    SER  18           H        SER  18   2.498 -13.642 -13.642
  860    HA   SER  18           HA       SER  18   1.730 -15.788 -15.788
  861   1HB   SER  18          2HB       SER  18   3.978 -13.761 -13.761
  862   2HB   SER  18          1HB       SER  18   3.774 -14.879 -14.879
  863    HG   SER  18           HG       SER  18   2.457 -13.401 -13.401
  864    H    GLY  19           H        GLY  19   3.340 -15.959 -15.959
  865   1HA   GLY  19          2HA       GLY  19   4.979 -18.267 -18.267
  866   2HA   GLY  19          1HA       GLY  19   5.670 -17.097 -17.097
  867    H    ARG  20           H        ARG  20   2.303 -17.909 -17.909
  868    HA   ARG  20           HA       ARG  20   2.952 -19.673 -19.673
  869   1HB   ARG  20          2HB       ARG  20   1.367 -18.440 -18.440
  870   2HB   ARG  20          1HB       ARG  20   2.346 -17.222 -17.222
  871   1HG   ARG  20          2HG       ARG  20   0.594 -17.104 -17.104
  872   2HG   ARG  20          1HG       ARG  20  -0.401 -18.202 -18.202
  873   1HD   ARG  20          2HD       ARG  20   0.043 -16.432 -16.432
  874   2HD   ARG  20          1HD       ARG  20   0.318 -15.342 -15.342
  875    HE   ARG  20           HE       ARG  20  -1.961 -16.472 -16.472
  876   1HH1  ARG  20          2HH1      ARG  20  -1.080 -14.641 -14.641
  877   2HH1  ARG  20          1HH1      ARG  20  -2.649 -14.675 -14.675
  878   1HH2  ARG  20          1HH2      ARG  20  -3.972 -16.902 -16.902
  879   2HH2  ARG  20          2HH2      ARG  20  -4.286 -15.954 -15.954
  880    H    GLU  21           H        GLU  21   1.695 -19.723 -19.723
  881    HA   GLU  21           HA       GLU  21  -0.511 -21.600 -21.600
  882   1HB   GLU  21          2HB       GLU  21  -0.798 -19.110 -19.110
  883   2HB   GLU  21          1HB       GLU  21  -0.753 -20.148 -20.148
  884   1HG   GLU  21          2HG       GLU  21  -2.404 -21.261 -21.261
  885   2HG   GLU  21          1HG       GLU  21  -2.981 -19.688 -19.688
  886    H    GLY  22           H        GLY  22   1.256 -20.565 -20.565
  887   1HA   GLY  22          2HA       GLY  22   2.541 -23.123 -23.123
  888   2HA   GLY  22          1HA       GLY  22   1.128 -22.977 -22.977
  889    H    ASP  23           H        ASP  23   1.124 -20.475 -20.475
  890    HA   ASP  23           HA       ASP  23   3.038 -20.346 -20.346
  891   1HB   ASP  23          2HB       ASP  23   0.914 -18.801 -18.801
  892   2HB   ASP  23          1HB       ASP  23   2.282 -17.703 -17.703
  893    H    LYS  24           H        LYS  24   4.718 -18.472 -18.472
  894    HA   LYS  24           HA       LYS  24   6.498 -18.592 -18.592
  895   1HB   LYS  24          2HB       LYS  24   6.859 -18.903 -18.903
  896   2HB   LYS  24          1HB       LYS  24   7.442 -17.263 -17.263
  897   1HG   LYS  24          2HG       LYS  24   9.307 -18.775 -18.775
  898   2HG   LYS  24          1HG       LYS  24   8.839 -18.158 -18.158
  899   1HD   LYS  24          2HD       LYS  24   7.268 -20.312 -20.312
  900   2HD   LYS  24          1HD       LYS  24   8.499 -20.899 -20.899
  901   1HE   LYS  24          2HE       LYS  24  10.143 -20.957 -20.957
  902   2HE   LYS  24          1HE       LYS  24   9.436 -19.605 -19.605
  903   1HZ   LYS  24          1HZ       LYS  24   7.477 -21.159 -21.159
  904   2HZ   LYS  24          3HZ       LYS  24   8.505 -22.413 -22.413
  905   3HZ   LYS  24          2HZ       LYS  24   8.889 -21.492 -21.492
  906    H    HIS  25           H        HIS  25   6.069 -15.999 -15.999
  907    HA   HIS  25           HA       HIS  25   5.597 -14.087 -14.087
  908   1HB   HIS  25          2HB       HIS  25   7.245 -13.519 -13.519
  909   2HB   HIS  25          1HB       HIS  25   7.219 -12.617 -12.617
  910    HD1  HIS  25           HD1      HIS  25   9.527 -14.552 -14.552
  911    HD2  HIS  25           HD2      HIS  25   7.812 -14.966 -14.966
  912    HE1  HIS  25           HE1      HIS  25  11.105 -16.005 -16.005
  913    H    LYS  26           H        LYS  26   3.429 -15.022 -15.022
  914    HA   LYS  26           HA       LYS  26   2.401 -12.668 -12.668
  915   1HB   LYS  26          2HB       LYS  26   3.483 -14.221 -14.221
  916   2HB   LYS  26          1HB       LYS  26   2.271 -15.427 -15.427
  917   1HG   LYS  26          2HG       LYS  26   0.902 -12.970 -12.970
  918   2HG   LYS  26          1HG       LYS  26   2.001 -13.223 -13.223
  919   1HD   LYS  26          2HD       LYS  26   1.072 -15.336 -15.336
  920   2HD   LYS  26          1HD       LYS  26   0.264 -15.444 -15.444
  921   1HE   LYS  26          2HE       LYS  26  -1.209 -13.545 -13.545
  922   2HE   LYS  26          1HE       LYS  26  -0.436 -13.521 -13.521
  923   1HZ   LYS  26          1HZ       LYS  26  -0.941 -16.087 -16.087
  924   2HZ   LYS  26          3HZ       LYS  26  -2.192 -15.545 -15.545
  925   3HZ   LYS  26          2HZ       LYS  26  -2.102 -14.997 -14.997
  926    H    LEU  27           H        LEU  27   0.059 -12.582 -12.582
  927    HA   LEU  27           HA       LEU  27  -1.029 -14.731 -14.731
  928   1HB   LEU  27          2HB       LEU  27  -1.150 -11.762 -11.762
  929   2HB   LEU  27          1HB       LEU  27  -2.620 -12.599 -12.599
  930    HG   LEU  27           HG       LEU  27  -0.288 -13.834 -13.834
  931   1HD1  LEU  27          1HD1      LEU  27  -0.389 -10.897 -10.897
  932   2HD1  LEU  27          3HD1      LEU  27  -0.314 -11.568 -11.568
  933   3HD1  LEU  27          2HD1      LEU  27   0.937 -11.967 -11.967
  934   1HD2  LEU  27          3HD2      LEU  27  -2.944 -13.536 -13.536
  935   2HD2  LEU  27          2HD2      LEU  27  -1.740 -14.060 -14.060
  936   3HD2  LEU  27          1HD2      LEU  27  -2.232 -12.368 -12.368
  937    H    LYS  28           H        LYS  28  -3.591 -14.542 -14.542
  938    HA   LYS  28           HA       LYS  28  -4.476 -14.353 -14.353
  939   1HB   LYS  28          2HB       LYS  28  -4.250 -16.618 -16.618
  940   2HB   LYS  28          1HB       LYS  28  -5.923 -16.399 -16.399
  941   1HG   LYS  28          2HG       LYS  28  -5.254 -16.433 -16.433
  942   2HG   LYS  28          1HG       LYS  28  -3.551 -16.511 -16.511
  943   1HD   LYS  28          2HD       LYS  28  -4.998 -18.604 -18.604
  944   2HD   LYS  28          1HD       LYS  28  -5.329 -18.684 -18.684
  945   1HE   LYS  28          2HE       LYS  28  -3.044 -18.963 -18.963
  946   2HE   LYS  28          1HE       LYS  28  -2.504 -18.363 -18.363
  947   1HZ   LYS  28          3HZ       LYS  28  -3.996 -20.311 -20.311
  948   2HZ   LYS  28          2HZ       LYS  28  -3.697 -20.956 -20.956
  949   3HZ   LYS  28          1HZ       LYS  28  -2.403 -20.612 -20.612
  950    H    LYS  29           H        LYS  29  -6.769 -13.840 -13.840
  951    HA   LYS  29           HA       LYS  29  -7.877 -11.862 -11.862
  952   1HB   LYS  29          2HB       LYS  29  -9.200 -14.182 -14.182
  953   2HB   LYS  29          1HB       LYS  29 -10.082 -12.765 -12.765
  954   1HG   LYS  29          2HG       LYS  29  -9.174 -11.382 -11.382
  955   2HG   LYS  29          1HG       LYS  29  -7.644 -12.258 -12.258
  956   1HD   LYS  29          2HD       LYS  29 -10.261 -13.234 -13.234
  957   2HD   LYS  29          1HD       LYS  29  -8.902 -12.584 -12.584
  958   1HE   LYS  29          2HE       LYS  29  -7.987 -14.653 -14.653
  959   2HE   LYS  29          1HE       LYS  29  -7.882 -14.634 -14.634
  960   1HZ   LYS  29          3HZ       LYS  29 -10.463 -15.028 -15.028
  961   2HZ   LYS  29          2HZ       LYS  29  -9.974 -15.734 -15.734
  962   3HZ   LYS  29          1HZ       LYS  29  -9.367 -16.323 -16.323
  963    H    SER  30           H        SER  30  -8.252 -15.378 -15.378
  964    HA   SER  30           HA       SER  30  -9.997 -15.243 -15.243
  965   1HB   SER  30          2HB       SER  30  -8.722 -17.163 -17.163
  966   2HB   SER  30          1HB       SER  30  -7.953 -17.359 -17.359
  967    HG   SER  30           HG       SER  30 -10.352 -18.171 -18.171
  968    H    GLU  31           H        GLU  31  -6.436 -15.709 -15.709
  969    HA   GLU  31           HA       GLU  31  -6.084 -15.312 -15.312
  970   1HB   GLU  31          2HB       GLU  31  -4.275 -14.977 -14.977
  971   2HB   GLU  31          1HB       GLU  31  -3.693 -14.923 -14.923
  972   1HG   GLU  31          2HG       GLU  31  -4.185 -17.181 -17.181
  973   2HG   GLU  31          1HG       GLU  31  -5.347 -17.252 -17.252
  974    H    LEU  32           H        LEU  32  -6.311 -13.151 -13.151
  975    HA   LEU  32           HA       LEU  32  -5.283 -10.757 -10.757
  976   1HB   LEU  32          2HB       LEU  32  -5.887 -11.169 -11.169
  977   2HB   LEU  32          1HB       LEU  32  -7.590 -11.180 -11.180
  978    HG   LEU  32           HG       LEU  32  -7.498  -8.879  -8.879
  979   1HD1  LEU  32          2HD1      LEU  32  -4.568  -9.398  -9.398
  980   2HD1  LEU  32          1HD1      LEU  32  -5.096  -7.779  -7.779
  981   3HD1  LEU  32          3HD1      LEU  32  -5.505  -8.424  -8.424
  982   1HD2  LEU  32          3HD2      LEU  32  -7.093  -9.699  -9.699
  983   2HD2  LEU  32          2HD2      LEU  32  -7.544  -8.069  -8.069
  984   3HD2  LEU  32          1HD2      LEU  32  -5.849  -8.470  -8.470
  985    H    LYS  33           H        LYS  33  -8.543 -12.211 -12.211
  986    HA   LYS  33           HA       LYS  33  -9.870 -10.138 -10.138
  987   1HB   LYS  33          2HB       LYS  33 -10.896 -12.104 -12.104
  988   2HB   LYS  33          1HB       LYS  33 -10.293 -13.145 -13.145
  989   1HG   LYS  33          2HG       LYS  33 -12.720 -12.346 -12.346
  990   2HG   LYS  33          1HG       LYS  33 -11.681 -12.105 -12.105
  991   1HD   LYS  33          2HD       LYS  33 -11.374  -9.783  -9.783
  992   2HD   LYS  33          1HD       LYS  33 -12.110  -9.973  -9.973
  993   1HE   LYS  33          2HE       LYS  33 -13.691 -10.658 -10.658
  994   2HE   LYS  33          1HE       LYS  33 -13.582  -8.976  -8.976
  995   1HZ   LYS  33          3HZ       LYS  33 -14.153  -9.851  -9.851
  996   2HZ   LYS  33          2HZ       LYS  33 -14.525 -11.339 -11.339
  997   3HZ   LYS  33          1HZ       LYS  33 -15.413  -9.947  -9.947
  998    H    GLU  34           H        GLU  34  -8.370 -13.180 -13.180
  999    HA   GLU  34           HA       GLU  34  -8.642 -12.818 -12.818
 1000   1HB   GLU  34          2HB       GLU  34  -7.167 -14.405 -14.405
 1001   2HB   GLU  34          1HB       GLU  34  -5.934 -13.605 -13.605
 1002   1HG   GLU  34          2HG       GLU  34  -6.471 -15.568 -15.568
 1003   2HG   GLU  34          1HG       GLU  34  -7.388 -14.294 -14.294
 1004    H    LEU  35           H        LEU  35  -6.182 -11.521 -11.521
 1005    HA   LEU  35           HA       LEU  35  -4.573 -10.115 -10.115
 1006   1HB   LEU  35          2HB       LEU  35  -4.496 -10.609 -10.609
 1007   2HB   LEU  35          1HB       LEU  35  -5.311  -9.049  -9.049
 1008    HG   LEU  35           HG       LEU  35  -3.124  -8.861  -8.861
 1009   1HD1  LEU  35          1HD1      LEU  35  -2.616 -10.628 -10.628
 1010   2HD1  LEU  35          3HD1      LEU  35  -1.760  -9.119  -9.119
 1011   3HD1  LEU  35          2HD1      LEU  35  -1.462 -10.001 -10.001
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.476  -7.253  -7.253
 1013   2HD2  LEU  35          3HD2      LEU  35  -2.883  -6.864  -6.864
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.036  -7.572  -7.572
 1015    H    ILE  36           H        ILE  36  -7.568  -9.039  -9.039
 1016    HA   ILE  36           HA       ILE  36  -7.477  -6.429  -6.429
 1017    HB   ILE  36           HB       ILE  36  -9.297  -7.936  -7.936
 1018   1HG1  ILE  36          2HG1      ILE  36  -8.864  -6.035  -6.035
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.103  -5.151  -5.151
 1020   1HG2  ILE  36          2HG2      ILE  36  -9.988  -5.449  -5.449
 1021   2HG2  ILE  36          1HG2      ILE  36 -10.802  -5.884  -5.884
 1022   3HG2  ILE  36          3HG2      ILE  36 -10.908  -6.951  -6.951
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.089  -7.796  -7.796
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.458  -6.227  -6.227
 1025   3HD1  ILE  36          1HD1      ILE  36  -6.292  -6.754  -6.754
 1026    H    ASN  37           H        ASN  37  -8.728  -9.607  -9.607
 1027    HA   ASN  37           HA       ASN  37 -10.649  -8.720  -8.720
 1028   1HB   ASN  37          2HB       ASN  37  -9.758 -11.305 -11.305
 1029   2HB   ASN  37          1HB       ASN  37 -10.774 -11.275 -11.275
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.664  -9.168  -9.168
 1031   2HD2  ASN  37          1HD2      ASN  37 -11.206  -8.627  -8.627
 1032    H    ASN  38           H        ASN  38  -7.335  -9.674  -9.674
 1033    HA   ASN  38           HA       ASN  38  -7.060 -10.573 -10.573
 1034   1HB   ASN  38          2HB       ASN  38  -5.461 -10.266 -10.266
 1035   2HB   ASN  38          1HB       ASN  38  -4.553  -9.929  -9.929
 1036   1HD2  ASN  38          2HD2      ASN  38  -6.159 -13.701 -13.701
 1037   2HD2  ASN  38          1HD2      ASN  38  -6.977 -12.382 -12.382
 1038    H    GLU  39           H        GLU  39  -7.281  -7.609  -7.609
 1039    HA   GLU  39           HA       GLU  39  -6.030  -6.097  -6.097
 1040   1HB   GLU  39          2HB       GLU  39  -5.732  -4.349  -4.349
 1041   2HB   GLU  39          1HB       GLU  39  -4.866  -5.846  -5.846
 1042   1HG   GLU  39          2HG       GLU  39  -6.624  -6.581  -6.581
 1043   2HG   GLU  39          1HG       GLU  39  -7.561  -5.134  -5.134
 1044    H    LEU  40           H        LEU  40  -8.729  -6.175  -6.175
 1045    HA   LEU  40           HA       LEU  40 -10.198  -4.188  -4.188
 1046   1HB   LEU  40          2HB       LEU  40 -10.597  -5.188  -5.188
 1047   2HB   LEU  40          1HB       LEU  40 -11.588  -3.955  -3.955
 1048    HG   LEU  40           HG       LEU  40  -8.590  -3.680  -3.680
 1049   1HD1  LEU  40          2HD1      LEU  40 -10.388  -3.751  -3.751
 1050   2HD1  LEU  40          1HD1      LEU  40 -10.103  -2.039  -2.039
 1051   3HD1  LEU  40          3HD1      LEU  40  -8.742  -3.113  -3.113
 1052   1HD2  LEU  40          2HD2      LEU  40 -10.366  -2.293  -2.293
 1053   2HD2  LEU  40          1HD2      LEU  40  -8.917  -1.560  -1.560
 1054   3HD2  LEU  40          3HD2      LEU  40 -10.473  -1.382  -1.382
 1055    H    SER  41           H        SER  41 -10.378  -6.368  -6.368
 1056    HA   SER  41           HA       SER  41 -11.944  -8.568  -8.568
 1057   1HB   SER  41          2HB       SER  41 -11.855  -6.795  -6.795
 1058   2HB   SER  41          1HB       SER  41 -12.703  -8.339  -8.339
 1059    HG   SER  41           HG       SER  41 -10.805  -9.380  -9.380
 1060    H    HIS  42           H        HIS  42 -12.960  -5.224  -5.224
 1061    HA   HIS  42           HA       HIS  42 -15.784  -5.627  -5.627
 1062   1HB   HIS  42          2HB       HIS  42 -14.068  -3.428  -3.428
 1063   2HB   HIS  42          1HB       HIS  42 -15.805  -3.266  -3.266
 1064    HD1  HIS  42           HD1      HIS  42 -15.005  -1.302  -1.302
 1065    HD2  HIS  42           HD2      HIS  42 -14.135  -5.213  -5.213
 1066    HE1  HIS  42           HE1      HIS  42 -14.488  -1.223  -1.223
 1067    H    PHE  43           H        PHE  43 -13.587  -5.644  -5.644
 1068    HA   PHE  43           HA       PHE  43 -15.694  -5.602  -5.602
 1069   1HB   PHE  43          2HB       PHE  43 -12.726  -6.065  -6.065
 1070   2HB   PHE  43          1HB       PHE  43 -13.603  -6.483  -6.483
 1071    HD1  PHE  43           HD2      PHE  43 -14.596  -3.719  -3.719
 1072    HD2  PHE  43           HD1      PHE  43 -12.641  -4.798  -4.798
 1073    HE1  PHE  43           HE2      PHE  43 -14.562  -1.334  -1.334
 1074    HE2  PHE  43           HE1      PHE  43 -12.616  -2.414  -2.414
 1075    HZ   PHE  43           HZ       PHE  43 -13.578  -0.683  -0.683
 1076    H    LEU  44           H        LEU  44 -14.328  -8.004  -8.004
 1077    HA   LEU  44           HA       LEU  44 -14.482 -10.384 -10.384
 1078   1HB   LEU  44          2HB       LEU  44 -14.002  -9.756  -9.756
 1079   2HB   LEU  44          1HB       LEU  44 -15.693 -10.218 -10.218
 1080    HG   LEU  44           HG       LEU  44 -15.224 -12.396 -12.396
 1081   1HD1  LEU  44          3HD1      LEU  44 -12.910 -11.025 -11.025
 1082   2HD1  LEU  44          2HD1      LEU  44 -12.349 -12.334 -12.334
 1083   3HD1  LEU  44          1HD1      LEU  44 -13.377 -12.691 -12.691
 1084   1HD2  LEU  44          1HD2      LEU  44 -14.845 -11.884 -11.884
 1085   2HD2  LEU  44          3HD2      LEU  44 -14.130 -13.362 -13.362
 1086   3HD2  LEU  44          2HD2      LEU  44 -13.125 -11.936 -11.936
 1087    H    GLU  45           H        GLU  45 -16.975  -8.356  -8.356
 1088    HA   GLU  45           HA       GLU  45 -19.184 -10.112 -10.112
 1089   1HB   GLU  45          2HB       GLU  45 -18.657  -8.186  -8.186
 1090   2HB   GLU  45          1HB       GLU  45 -19.886  -7.469  -7.469
 1091   1HG   GLU  45          2HG       GLU  45 -21.430  -8.749  -8.749
 1092   2HG   GLU  45          1HG       GLU  45 -20.644 -10.169 -10.169
 1093    H    GLU  46           H        GLU  46 -17.455  -7.219  -7.219
 1094    HA   GLU  46           HA       GLU  46 -17.448  -5.978  -5.978
 1095   1HB   GLU  46          2HB       GLU  46 -17.902  -8.454  -8.454
 1096   2HB   GLU  46          1HB       GLU  46 -19.541  -7.882  -7.882
 1097   1HG   GLU  46          2HG       GLU  46 -18.866  -7.043  -7.043
 1098   2HG   GLU  46          1HG       GLU  46 -17.766  -5.962  -5.962
 1099    H    ILE  47           H        ILE  47 -20.097  -6.297  -6.297
 1100    HA   ILE  47           HA       ILE  47 -21.945  -4.603  -4.603
 1101    HB   ILE  47           HB       ILE  47 -22.742  -6.512  -6.512
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.409  -5.307  -5.307
 1103   2HG1  ILE  47          1HG1      ILE  47 -23.446  -3.834  -3.834
 1104   1HG2  ILE  47          2HG2      ILE  47 -20.780  -5.476  -5.476
 1105   2HG2  ILE  47          1HG2      ILE  47 -22.330  -5.417  -5.417
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.739  -6.947  -6.947
 1107   1HD1  ILE  47          2HD1      ILE  47 -24.579  -5.323  -5.323
 1108   2HD1  ILE  47          1HD1      ILE  47 -25.344  -3.918  -3.918
 1109   3HD1  ILE  47          3HD1      ILE  47 -23.761  -3.759  -3.759
 1110    H    LYS  48           H        LYS  48 -19.481  -4.354  -4.354
 1111    HA   LYS  48           HA       LYS  48 -20.270  -1.970  -1.970
 1112   1HB   LYS  48          2HB       LYS  48 -17.680  -3.386  -3.386
 1113   2HB   LYS  48          1HB       LYS  48 -17.651  -1.835  -1.835
 1114   1HG   LYS  48          2HG       LYS  48 -17.665  -3.718  -3.718
 1115   2HG   LYS  48          1HG       LYS  48 -19.123  -2.735  -2.735
 1116   1HD   LYS  48          2HD       LYS  48 -20.433  -4.324  -4.324
 1117   2HD   LYS  48          1HD       LYS  48 -19.000  -5.213  -5.213
 1118   1HE   LYS  48          2HE       LYS  48 -19.063  -6.473  -6.473
 1119   2HE   LYS  48          1HE       LYS  48 -19.053  -5.015  -5.015
 1120   1HZ   LYS  48          3HZ       LYS  48 -21.433  -6.126  -6.126
 1121   2HZ   LYS  48          2HZ       LYS  48 -21.121  -6.263  -6.263
 1122   3HZ   LYS  48          1HZ       LYS  48 -21.411  -4.738  -4.738
 1123    H    GLU  49           H        GLU  49 -19.433  -2.473  -2.473
 1124    HA   GLU  49           HA       GLU  49 -19.094   0.470   0.470
 1125   1HB   GLU  49          2HB       GLU  49 -17.162  -0.092  -0.092
 1126   2HB   GLU  49          1HB       GLU  49 -16.883  -0.532  -0.532
 1127   1HG   GLU  49          2HG       GLU  49 -18.191  -2.641  -2.641
 1128   2HG   GLU  49          1HG       GLU  49 -16.552  -2.252  -2.252
 1129    H    GLN  50           H        GLN  50 -21.242   0.427   0.427
 1130    HA   GLN  50           HA       GLN  50 -22.031  -1.378  -1.378
 1131   1HB   GLN  50          2HB       GLN  50 -22.892   1.266   1.266
 1132   2HB   GLN  50          1HB       GLN  50 -23.602   0.726   0.726
 1133   1HG   GLN  50          2HG       GLN  50 -23.512  -1.426  -1.426
 1134   2HG   GLN  50          1HG       GLN  50 -24.417  -0.036  -0.036
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.100  -0.454  -0.454
 1136   2HE2  GLN  50          1HE2      GLN  50 -26.398   0.542   0.542
 1137    H    GLU  51           H        GLU  51 -21.915   2.076   2.076
 1138    HA   GLU  51           HA       GLU  51 -21.434   2.039   2.039
 1139   1HB   GLU  51          2HB       GLU  51 -21.723   4.045   4.045
 1140   2HB   GLU  51          1HB       GLU  51 -20.084   3.840   3.840
 1141   1HG   GLU  51          2HG       GLU  51 -19.457   3.819   3.819
 1142   2HG   GLU  51          1HG       GLU  51 -20.982   4.693   4.693
 1143    H    VAL  52           H        VAL  52 -19.032   1.305   1.305
 1144    HA   VAL  52           HA       VAL  52 -16.780   1.328   1.328
 1145    HB   VAL  52           HB       VAL  52 -16.836  -0.161  -0.161
 1146   1HG1  VAL  52          3HG1      VAL  52 -14.855   0.340   0.340
 1147   2HG1  VAL  52          2HG1      VAL  52 -14.727   1.789   1.789
 1148   3HG1  VAL  52          1HG1      VAL  52 -14.571   0.195   0.195
 1149   1HG2  VAL  52          2HG2      VAL  52 -17.517   2.662   2.662
 1150   2HG2  VAL  52          1HG2      VAL  52 -17.646   1.675   1.675
 1151   3HG2  VAL  52          3HG2      VAL  52 -16.114   2.448   2.448
 1152    H    VAL  53           H        VAL  53 -18.909  -1.123  -1.123
 1153    HA   VAL  53           HA       VAL  53 -17.740  -3.501  -3.501
 1154    HB   VAL  53           HB       VAL  53 -20.579  -2.499  -2.499
 1155   1HG1  VAL  53          3HG1      VAL  53 -19.646  -4.942  -4.942
 1156   2HG1  VAL  53          2HG1      VAL  53 -20.914  -5.193  -5.193
 1157   3HG1  VAL  53          1HG1      VAL  53 -21.178  -4.079  -4.079
 1158   1HG2  VAL  53          2HG2      VAL  53 -18.652  -3.549  -3.549
 1159   2HG2  VAL  53          1HG2      VAL  53 -20.370  -3.336  -3.336
 1160   3HG2  VAL  53          3HG2      VAL  53 -19.780  -4.878  -4.878
 1161    H    ASP  54           H        ASP  54 -19.523  -0.998  -0.998
 1162    HA   ASP  54           HA       ASP  54 -19.679  -2.322  -2.322
 1163   1HB   ASP  54          2HB       ASP  54 -21.197  -0.571  -0.571
 1164   2HB   ASP  54          1HB       ASP  54 -20.032   0.420   0.420
 1165    H    LYS  55           H        LYS  55 -17.483   0.058   0.058
 1166    HA   LYS  55           HA       LYS  55 -15.661   0.151   0.151
 1167   1HB   LYS  55          2HB       LYS  55 -15.830   1.175   1.175
 1168   2HB   LYS  55          1HB       LYS  55 -14.266   1.225   1.225
 1169   1HG   LYS  55          2HG       LYS  55 -14.983   3.158   3.158
 1170   2HG   LYS  55          1HG       LYS  55 -16.006   2.146   2.146
 1171   1HD   LYS  55          2HD       LYS  55 -17.826   2.307   2.307
 1172   2HD   LYS  55          1HD       LYS  55 -16.808   3.288   3.288
 1173   1HE   LYS  55          2HE       LYS  55 -17.065   4.237   4.237
 1174   2HE   LYS  55          1HE       LYS  55 -18.508   4.394   4.394
 1175   1HZ   LYS  55          2HZ       LYS  55 -15.772   5.250   5.250
 1176   2HZ   LYS  55          1HZ       LYS  55 -16.981   6.302   6.302
 1177   3HZ   LYS  55          3HZ       LYS  55 -17.197   5.470   5.470
 1178    H    VAL  56           H        VAL  56 -15.046  -0.891  -0.891
 1179    HA   VAL  56           HA       VAL  56 -12.712  -2.274  -2.274
 1180    HB   VAL  56           HB       VAL  56 -15.367  -2.972  -2.972
 1181   1HG1  VAL  56          2HG1      VAL  56 -12.950  -4.626  -4.626
 1182   2HG1  VAL  56          1HG1      VAL  56 -13.440  -4.321  -4.321
 1183   3HG1  VAL  56          3HG1      VAL  56 -14.571  -5.068  -5.068
 1184   1HG2  VAL  56          2HG2      VAL  56 -13.287  -1.133  -1.133
 1185   2HG2  VAL  56          1HG2      VAL  56 -14.672  -1.522  -1.522
 1186   3HG2  VAL  56          3HG2      VAL  56 -13.161  -2.405  -2.405
 1187    H    MET  57           H        MET  57 -15.832  -3.529  -3.529
 1188    HA   MET  57           HA       MET  57 -14.619  -6.041  -6.041
 1189   1HB   MET  57          2HB       MET  57 -17.340  -4.739  -4.739
 1190   2HB   MET  57          1HB       MET  57 -16.960  -6.372  -6.372
 1191   1HG   MET  57          2HG       MET  57 -16.798  -5.361  -5.361
 1192   2HG   MET  57          1HG       MET  57 -17.998  -6.483  -6.483
 1193   1HE   MET  57          2HE       MET  57 -17.863  -8.828  -8.828
 1194   2HE   MET  57          1HE       MET  57 -17.057  -8.672  -8.672
 1195   3HE   MET  57          3HE       MET  57 -16.433  -9.798  -9.798
 1196    H    GLU  58           H        GLU  58 -15.540  -2.926  -2.926
 1197    HA   GLU  58           HA       GLU  58 -15.545  -3.633  -3.633
 1198   1HB   GLU  58          2HB       GLU  58 -15.493  -1.329  -1.329
 1199   2HB   GLU  58          1HB       GLU  58 -15.970  -1.391  -1.391
 1200   1HG   GLU  58          2HG       GLU  58 -14.230   0.161   0.161
 1201   2HG   GLU  58          1HG       GLU  58 -13.380  -1.332  -1.332
 1202    H    THR  59           H        THR  59 -12.829  -3.030  -3.030
 1203    HA   THR  59           HA       THR  59 -10.863  -3.332  -3.332
 1204    HB   THR  59           HB       THR  59 -10.762  -2.747  -2.747
 1205    HG1  THR  59           HG1      THR  59  -9.779  -0.809  -0.809
 1206   1HG2  THR  59          1HG2      THR  59  -8.815  -4.169  -4.169
 1207   2HG2  THR  59          3HG2      THR  59  -8.394  -2.855  -2.855
 1208   3HG2  THR  59          2HG2      THR  59  -8.372  -2.589  -2.589
 1209    H    LEU  60           H        LEU  60 -12.040  -5.096  -5.096
 1210    HA   LEU  60           HA       LEU  60 -10.078  -7.210  -7.210
 1211   1HB   LEU  60          2HB       LEU  60 -12.116  -6.342  -6.342
 1212   2HB   LEU  60          1HB       LEU  60 -12.757  -7.857  -7.857
 1213    HG   LEU  60           HG       LEU  60 -10.114  -7.454  -7.454
 1214   1HD1  LEU  60          1HD1      LEU  60 -12.141  -7.621  -7.621
 1215   2HD1  LEU  60          3HD1      LEU  60 -12.540  -9.155  -9.155
 1216   3HD1  LEU  60          2HD1      LEU  60 -11.080  -9.015  -9.015
 1217   1HD2  LEU  60          2HD2      LEU  60 -11.183  -9.707  -9.707
 1218   2HD2  LEU  60          1HD2      LEU  60  -9.540  -9.069  -9.069
 1219   3HD2  LEU  60          3HD2      LEU  60 -10.169 -10.081 -10.081
 1220    H    ASP  61           H        ASP  61 -13.419  -6.975  -6.975
 1221    HA   ASP  61           HA       ASP  61 -13.916  -9.493  -9.493
 1222   1HB   ASP  61          2HB       ASP  61 -15.439  -7.627  -7.627
 1223   2HB   ASP  61          1HB       ASP  61 -14.269  -6.782  -6.782
 1224    H    SER  62           H        SER  62 -12.108  -6.976  -6.976
 1225    HA   SER  62           HA       SER  62 -10.991  -9.051  -9.051
 1226   1HB   SER  62          2HB       SER  62  -9.924  -6.417  -6.417
 1227   2HB   SER  62          1HB       SER  62 -11.019  -7.323  -7.323
 1228    HG   SER  62           HG       SER  62 -11.908  -5.327  -5.327
 1229    H    ASP  63           H        ASP  63  -9.744  -6.398  -6.398
 1230    HA   ASP  63           HA       ASP  63  -7.645  -6.184  -6.184
 1231   1HB   ASP  63          2HB       ASP  63  -8.862  -8.382  -8.382
 1232   2HB   ASP  63          1HB       ASP  63  -7.568  -9.195  -9.195
 1233    H    GLY  64           H        GLY  64  -5.274  -7.305  -7.305
 1234   1HA   GLY  64          2HA       GLY  64  -4.532  -6.861  -6.861
 1235   2HA   GLY  64          1HA       GLY  64  -3.553  -7.777  -7.777
 1236    H    ASP  65           H        ASP  65  -6.617  -8.222  -8.222
 1237    HA   ASP  65           HA       ASP  65  -7.627 -10.290 -10.290
 1238   1HB   ASP  65          2HB       ASP  65  -7.011  -9.390  -9.390
 1239   2HB   ASP  65          1HB       ASP  65  -5.291  -9.444  -9.444
 1240    H    GLY  66           H        GLY  66  -7.295 -11.675 -11.675
 1241   1HA   GLY  66          2HA       GLY  66  -6.447 -13.551 -13.551
 1242   2HA   GLY  66          1HA       GLY  66  -6.084 -14.145 -14.145
 1243    H    GLU  67           H        GLU  67  -4.672 -11.266 -11.266
 1244    HA   GLU  67           HA       GLU  67  -2.112 -12.719 -12.719
 1245   1HB   GLU  67          2HB       GLU  67  -2.483 -11.695 -11.695
 1246   2HB   GLU  67          1HB       GLU  67  -2.151 -10.160 -10.160
 1247   1HG   GLU  67          2HG       GLU  67   0.026 -10.843 -10.843
 1248   2HG   GLU  67          1HG       GLU  67  -0.318 -12.538 -12.538
 1249    H    CYS  68           H        CYS  68  -2.460 -12.226 -12.226
 1250    HA   CYS  68           HA       CYS  68  -2.424  -9.330  -9.330
 1251   1HB   CYS  68          2HB       CYS  68  -2.722 -11.765 -11.765
 1252   2HB   CYS  68          1HB       CYS  68  -3.197 -10.104 -10.104
 1253    HG   CYS  68           HG       CYS  68  -4.998 -10.394 -10.394
 1254    H    ASP  69           H        ASP  69  -0.046  -9.717  -9.717
 1255    HA   ASP  69           HA       ASP  69   1.798 -10.981 -10.981
 1256   1HB   ASP  69          2HB       ASP  69   1.796 -10.983 -10.983
 1257   2HB   ASP  69          1HB       ASP  69   2.539  -9.400  -9.400
 1258    H    PHE  70           H        PHE  70   3.909  -9.680  -9.680
 1259    HA   PHE  70           HA       PHE  70   4.183  -8.067  -8.067
 1260   1HB   PHE  70          2HB       PHE  70   5.332  -8.008  -8.008
 1261   2HB   PHE  70          1HB       PHE  70   5.694  -6.602  -6.602
 1262    HD1  PHE  70           HD1      PHE  70   4.906  -9.848  -9.848
 1263    HD2  PHE  70           HD2      PHE  70   8.082  -7.223  -7.223
 1264    HE1  PHE  70           HE1      PHE  70   6.498 -11.197 -11.197
 1265    HE2  PHE  70           HE2      PHE  70   9.693  -8.578  -8.578
 1266    HZ   PHE  70           HZ       PHE  70   8.889 -10.571 -10.571
 1267    H    GLN  71           H        GLN  71   3.983  -5.984  -5.984
 1268    HA   GLN  71           HA       GLN  71   2.946  -3.781  -3.781
 1269   1HB   GLN  71          2HB       GLN  71   2.799  -2.787  -2.787
 1270   2HB   GLN  71          1HB       GLN  71   4.359  -3.513  -3.513
 1271   1HG   GLN  71          2HG       GLN  71   4.176  -4.982  -4.982
 1272   2HG   GLN  71          1HG       GLN  71   2.604  -5.520  -5.520
 1273   1HE2  GLN  71          2HE2      GLN  71   0.805  -3.762  -3.762
 1274   2HE2  GLN  71          1HE2      GLN  71   0.771  -4.882  -4.882
 1275    H    GLU  72           H        GLU  72   1.369  -6.490  -6.490
 1276    HA   GLU  72           HA       GLU  72  -1.155  -5.185  -5.185
 1277   1HB   GLU  72          2HB       GLU  72  -0.740  -8.101  -8.101
 1278   2HB   GLU  72          1HB       GLU  72  -1.814  -7.382  -7.382
 1279   1HG   GLU  72          2HG       GLU  72   0.712  -6.480  -6.480
 1280   2HG   GLU  72          1HG       GLU  72   0.989  -8.149  -8.149
 1281    H    PHE  73           H        PHE  73   0.174  -6.950  -6.950
 1282    HA   PHE  73           HA       PHE  73  -2.251  -7.087  -7.087
 1283   1HB   PHE  73          2HB       PHE  73  -0.625  -8.359  -8.359
 1284   2HB   PHE  73          1HB       PHE  73   0.667  -7.306  -7.306
 1285    HD1  PHE  73           HD2      PHE  73  -2.239  -6.056  -6.056
 1286    HD2  PHE  73           HD1      PHE  73   1.863  -7.321  -7.321
 1287    HE1  PHE  73           HE2      PHE  73  -1.997  -5.078  -5.078
 1288    HE2  PHE  73           HE1      PHE  73   2.094  -6.355  -6.355
 1289    HZ   PHE  73           HZ       PHE  73   0.164  -5.229  -5.229
 1290    H    MET  74           H        MET  74   0.411  -4.695  -4.695
 1291    HA   MET  74           HA       MET  74  -1.080  -2.875  -2.875
 1292   1HB   MET  74          2HB       MET  74   1.255  -2.647  -2.647
 1293   2HB   MET  74          1HB       MET  74   0.637  -1.237  -1.237
 1294   1HG   MET  74          2HG       MET  74   1.044  -3.629  -3.629
 1295   2HG   MET  74          1HG       MET  74   2.520  -2.925  -2.925
 1296   1HE   MET  74          3HE       MET  74   2.417  -0.382  -0.382
 1297   2HE   MET  74          2HE       MET  74   2.245   0.764   0.764
 1298   3HE   MET  74          1HE       MET  74   3.530  -0.441  -0.441
 1299    H    ALA  75           H        ALA  75  -0.973  -3.377  -3.377
 1300    HA   ALA  75           HA       ALA  75  -2.099  -0.977  -0.977
 1301   1HB   ALA  75          2HB       ALA  75  -1.634  -3.698  -3.698
 1302   2HB   ALA  75          1HB       ALA  75  -3.213  -3.178  -3.178
 1303   3HB   ALA  75          3HB       ALA  75  -1.768  -2.259  -2.259
 1304    H    PHE  76           H        PHE  76  -3.929  -3.967  -3.967
 1305    HA   PHE  76           HA       PHE  76  -6.481  -2.587  -2.587
 1306   1HB   PHE  76          2HB       PHE  76  -6.418  -4.834  -4.834
 1307   2HB   PHE  76          1HB       PHE  76  -5.471  -5.368  -5.368
 1308    HD1  PHE  76           HD2      PHE  76  -8.742  -3.633  -3.633
 1309    HD2  PHE  76           HD1      PHE  76  -6.602  -6.544  -6.544
 1310    HE1  PHE  76           HE2      PHE  76 -10.830  -4.206  -4.206
 1311    HE2  PHE  76           HE1      PHE  76  -8.692  -7.116  -7.116
 1312    HZ   PHE  76           HZ       PHE  76 -10.806  -5.948  -5.948
 1313    H    VAL  77           H        VAL  77  -4.410  -4.070  -4.070
 1314    HA   VAL  77           HA       VAL  77  -6.121  -3.553  -3.553
 1315    HB   VAL  77           HB       VAL  77  -3.613  -4.597  -4.597
 1316   1HG1  VAL  77          2HG1      VAL  77  -2.788  -2.136  -2.136
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.125  -2.205  -2.205
 1318   3HG1  VAL  77          3HG1      VAL  77  -1.945  -3.304  -3.304
 1319   1HG2  VAL  77          3HG2      VAL  77  -5.483  -4.659  -4.659
 1320   2HG2  VAL  77          2HG2      VAL  77  -3.864  -5.312  -5.312
 1321   3HG2  VAL  77          1HG2      VAL  77  -4.261  -3.703  -3.703
 1322    H    ALA  78           H        ALA  78  -4.225  -1.468  -1.468
 1323    HA   ALA  78           HA       ALA  78  -4.290   0.868   0.868
 1324   1HB   ALA  78          1HB       ALA  78  -3.796   0.381   0.381
 1325   2HB   ALA  78          3HB       ALA  78  -3.657   1.975   1.975
 1326   3HB   ALA  78          2HB       ALA  78  -2.593   0.669   0.669
 1327    H    MET  79           H        MET  79  -6.147  -0.290  -0.290
 1328    HA   MET  79           HA       MET  79  -7.986   1.906   1.906
 1329   1HB   MET  79          2HB       MET  79  -7.709   0.208   0.208
 1330   2HB   MET  79          1HB       MET  79  -8.258  -1.052  -1.052
 1331   1HG   MET  79          2HG       MET  79 -10.111  -0.412  -0.412
 1332   2HG   MET  79          1HG       MET  79 -10.449   0.135   0.135
 1333   1HE   MET  79          2HE       MET  79 -11.862   1.807   1.807
 1334   2HE   MET  79          1HE       MET  79 -10.572   2.750   2.750
 1335   3HE   MET  79          3HE       MET  79 -11.582   3.468   3.468
 1336    H    ILE  80           H        ILE  80  -7.902  -1.030  -1.030
 1337    HA   ILE  80           HA       ILE  80 -10.554  -0.554  -0.554
 1338    HB   ILE  80           HB       ILE  80  -8.279  -2.325  -2.325
 1339   1HG1  ILE  80          2HG1      ILE  80  -8.779  -2.594  -2.594
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.104  -4.040  -4.040
 1341   1HG2  ILE  80          1HG2      ILE  80 -10.594  -1.863  -1.863
 1342   2HG2  ILE  80          3HG2      ILE  80 -11.162  -3.095  -3.095
 1343   3HG2  ILE  80          2HG2      ILE  80  -9.847  -3.461  -3.461
 1344   1HD1  ILE  80          2HD1      ILE  80 -11.461  -2.434  -2.434
 1345   2HD1  ILE  80          1HD1      ILE  80 -10.919  -2.555  -2.555
 1346   3HD1  ILE  80          3HD1      ILE  80 -11.239  -4.019  -4.019
 1347    H    THR  81           H        THR  81  -7.207  -0.601  -0.601
 1348    HA   THR  81           HA       THR  81  -7.390   0.277   0.277
 1349    HB   THR  81           HB       THR  81  -5.475   0.898   0.898
 1350    HG1  THR  81           HG1      THR  81  -4.205  -0.557  -0.557
 1351   1HG2  THR  81          2HG2      THR  81  -5.555   2.030   2.030
 1352   2HG2  THR  81          1HG2      THR  81  -3.987   1.471   1.471
 1353   3HG2  THR  81          3HG2      THR  81  -4.871   2.705   2.705
 1354    H    THR  82           H        THR  82  -7.973   2.154   2.154
 1355    HA   THR  82           HA       THR  82  -7.976   4.734   4.734
 1356    HB   THR  82           HB       THR  82  -9.123   5.253   5.253
 1357    HG1  THR  82           HG1      THR  82  -7.792   3.505   3.505
 1358   1HG2  THR  82          1HG2      THR  82  -6.290   4.745   4.745
 1359   2HG2  THR  82          3HG2      THR  82  -6.626   5.045   5.045
 1360   3HG2  THR  82          2HG2      THR  82  -7.058   6.256   6.256
 1361    H    ALA  83           H        ALA  83 -10.193   2.175   2.175
 1362    HA   ALA  83           HA       ALA  83 -12.598   3.857   3.857
 1363   1HB   ALA  83          2HB       ALA  83 -12.062   0.917   0.917
 1364   2HB   ALA  83          1HB       ALA  83 -13.679   1.565   1.565
 1365   3HB   ALA  83          3HB       ALA  83 -12.741   2.090   2.090
 1366    H    CYS  84           H        CYS  84 -10.397   1.794   1.794
 1367    HA   CYS  84           HA       CYS  84 -11.774   0.754   0.754
 1368   1HB   CYS  84          2HB       CYS  84  -9.366   0.564   0.564
 1369   2HB   CYS  84          1HB       CYS  84  -9.149   2.275   2.275
 1370    HG   CYS  84           HG       CYS  84  -8.674   0.888   0.888
 1371    H    HIS  85           H        HIS  85  -9.977   3.472   3.472
 1372    HA   HIS  85           HA       HIS  85 -12.283   5.211   5.211
 1373   1HB   HIS  85          2HB       HIS  85 -12.591   4.732   4.732
 1374   2HB   HIS  85          1HB       HIS  85 -12.546   3.167   3.167
 1375    HD1  HIS  85           HD1      HIS  85  -9.229   3.712   3.712
 1376    HD2  HIS  85           HD2      HIS  85 -11.545   3.263   3.263
 1377    HE1  HIS  85           HE1      HIS  85  -7.648   2.987   2.987
 1378    H    GLU  86           H        GLU  86 -11.046   6.012   6.012
 1379    HA   GLU  86           HA       GLU  86  -9.494   7.649   7.649
 1380   1HB   GLU  86          2HB       GLU  86  -8.211   5.404   5.404
 1381   2HB   GLU  86          1HB       GLU  86  -7.466   6.632   6.632
 1382   1HG   GLU  86          2HG       GLU  86  -6.187   6.385   6.385
 1383   2HG   GLU  86          1HG       GLU  86  -6.944   7.977   7.977
 1384    H    PHE  87           H        PHE  87  -7.287   8.582   8.582
 1385    HA   PHE  87           HA       PHE  87  -8.303  10.936  10.936
 1386   1HB   PHE  87          2HB       PHE  87  -5.978  10.733  10.733
 1387   2HB   PHE  87          1HB       PHE  87  -6.063   9.087   9.087
 1388    HD1  PHE  87           HD2      PHE  87  -7.037  12.578  12.578
 1389    HD2  PHE  87           HD1      PHE  87  -5.697   8.728   8.728
 1390    HE1  PHE  87           HE2      PHE  87  -6.914  13.438  13.438
 1391    HE2  PHE  87           HE1      PHE  87  -5.610   9.571   9.571
 1392    HZ   PHE  87           HZ       PHE  87  -6.205  11.944  11.944
 1393    H    PHE  88           H        PHE  88  -7.704   8.080   8.080
 1394    HA   PHE  88           HA       PHE  88  -8.834   8.700   8.700
 1395   1HB   PHE  88          2HB       PHE  88  -9.035   6.228   6.228
 1396   2HB   PHE  88          1HB       PHE  88  -9.711   6.265   6.265
 1397    HD1  PHE  88           HD1      PHE  88  -7.542   8.274   8.274
 1398    HD2  PHE  88           HD2      PHE  88  -7.332   4.573   4.573
 1399    HE1  PHE  88           HE1      PHE  88  -5.320   7.854   7.854
 1400    HE2  PHE  88           HE2      PHE  88  -5.093   4.149   4.149
 1401    HZ   PHE  88           HZ       PHE  88  -4.081   5.785   5.785
 1402    H    GLU  89           H        GLU  89 -11.093   6.643   6.643
 1403    HA   GLU  89           HA       GLU  89 -13.425   7.783   7.783
 1404   1HB   GLU  89          2HB       GLU  89 -12.757   5.660   5.660
 1405   2HB   GLU  89          1HB       GLU  89 -13.582   6.674   6.674
 1406   1HG   GLU  89          2HG       GLU  89 -15.297   5.342   5.342
 1407   2HG   GLU  89          1HG       GLU  89 -15.446   6.918   6.918
 1408    H    HIS  90           H        HIS  90 -13.080  10.144  10.144
 1409    HA   HIS  90           HA       HIS  90 -14.589  11.378  11.378
 1410   1HB   HIS  90          2HB       HIS  90 -12.108  10.435  10.435
 1411   2HB   HIS  90          1HB       HIS  90 -11.887  12.172  12.172
 1412    HD1  HIS  90           HD1      HIS  90 -14.504   9.826   9.826
 1413    HD2  HIS  90           HD2      HIS  90 -12.861  13.603  13.603
 1414    HE1  HIS  90           HE1      HIS  90 -15.572  10.723  10.723
 1415    H    GLU  91           H        GLU  91 -11.862  11.640  11.640
 1416    HA   GLU  91           HA       GLU  91 -11.120  13.464  13.464
 1417   1HB   GLU  91          2HB       GLU  91 -14.141  13.485  13.485
 1418   2HB   GLU  91          1HB       GLU  91 -13.218  14.592  14.592
 1419   1HG   GLU  91          2HG       GLU  91 -12.025  12.060  12.060
 1420   2HG   GLU  91          1HG       GLU  91 -13.766  11.784  11.784

  Start of MODEL    6
    1   1H    MET   0          2H        MET   0  -0.871 -10.014 -10.014
    2   2H    MET   0          1H        MET   0  -1.729 -11.479 -11.479
    3   3H    MET   0          3H        MET   0  -0.070 -11.460 -11.460
    4    HA   MET   0           HA       MET   0  -0.387 -10.910 -10.910
    5   1HB   MET   0          2HB       MET   0  -2.515 -11.728 -11.728
    6   2HB   MET   0          1HB       MET   0  -2.091 -12.684 -12.684
    7   1HG   MET   0          2HG       MET   0  -3.489 -11.117 -11.117
    8   2HG   MET   0          1HG       MET   0  -4.017 -10.348 -10.348
    9   1HE   MET   0          1HE       MET   0  -5.847 -11.024 -11.024
   10   2HE   MET   0          3HE       MET   0  -7.018 -12.262 -12.262
   11   3HE   MET   0          2HE       MET   0  -5.729 -12.653 -12.653
   12    H    SER   1           H        SER   1  -2.894  -9.329  -9.329
   13    HA   SER   1           HA       SER   1  -3.877  -7.342  -7.342
   14   1HB   SER   1          2HB       SER   1  -4.015  -6.012  -6.012
   15   2HB   SER   1          1HB       SER   1  -4.512  -7.689  -7.689
   16    HG   SER   1           HG       SER   1  -2.842  -6.570  -6.570
   17    H    GLU   2           H        GLU   2  -0.569  -7.645  -7.645
   18    HA   GLU   2           HA       GLU   2   0.682  -5.283  -5.283
   19   1HB   GLU   2          2HB       GLU   2   1.173  -7.821  -7.821
   20   2HB   GLU   2          1HB       GLU   2   2.139  -6.469  -6.469
   21   1HG   GLU   2          2HG       GLU   2   2.346  -6.115  -6.115
   22   2HG   GLU   2          1HG       GLU   2   2.259  -7.874  -7.874
   23    H    LEU   3           H        LEU   3  -0.813  -6.478  -6.478
   24    HA   LEU   3           HA       LEU   3   0.033  -4.177  -4.177
   25   1HB   LEU   3          2HB       LEU   3  -0.257  -6.059  -6.059
   26   2HB   LEU   3          1HB       LEU   3  -1.545  -6.677  -6.677
   27    HG   LEU   3           HG       LEU   3  -2.162  -5.931  -5.931
   28   1HD1  LEU   3          2HD1      LEU   3  -3.552  -5.894  -5.894
   29   2HD1  LEU   3          1HD1      LEU   3  -3.943  -4.345  -4.345
   30   3HD1  LEU   3          3HD1      LEU   3  -4.264  -5.848  -5.848
   31   1HD2  LEU   3          2HD2      LEU   3  -0.936  -3.551  -3.551
   32   2HD2  LEU   3          1HD2      LEU   3  -1.763  -3.810  -3.810
   33   3HD2  LEU   3          3HD2      LEU   3  -2.659  -3.199  -3.199
   34    H    GLU   4           H        GLU   4  -3.101  -5.208  -5.208
   35    HA   GLU   4           HA       GLU   4  -4.647  -2.974  -2.974
   36   1HB   GLU   4          2HB       GLU   4  -5.873  -4.706  -4.706
   37   2HB   GLU   4          1HB       GLU   4  -4.699  -4.930  -4.930
   38   1HG   GLU   4          2HG       GLU   4  -6.888  -3.872  -3.872
   39   2HG   GLU   4          1HG       GLU   4  -5.449  -2.940  -2.940
   40    H    LYS   5           H        LYS   5  -2.808  -3.492  -3.492
   41    HA   LYS   5           HA       LYS   5  -3.183  -0.838  -0.838
   42   1HB   LYS   5          2HB       LYS   5  -0.840  -2.687  -2.687
   43   2HB   LYS   5          1HB       LYS   5  -1.661  -1.622  -1.622
   44   1HG   LYS   5          2HG       LYS   5  -3.702  -3.302  -3.302
   45   2HG   LYS   5          1HG       LYS   5  -2.315  -4.379  -4.379
   46   1HD   LYS   5          2HD       LYS   5  -3.331  -4.395  -4.395
   47   2HD   LYS   5          1HD       LYS   5  -1.928  -3.336  -3.336
   48   1HE   LYS   5          2HE       LYS   5  -3.228  -1.513  -1.513
   49   2HE   LYS   5          1HE       LYS   5  -4.361  -1.924  -1.924
   50   1HZ   LYS   5          2HZ       LYS   5  -4.929  -3.896  -3.896
   51   2HZ   LYS   5          1HZ       LYS   5  -4.319  -2.862  -2.862
   52   3HZ   LYS   5          3HZ       LYS   5  -5.638  -2.373  -2.373
   53    H    ALA   6           H        ALA   6  -0.684  -2.374  -2.374
   54    HA   ALA   6           HA       ALA   6   1.094  -0.116  -0.116
   55   1HB   ALA   6          2HB       ALA   6   0.482  -2.505  -2.505
   56   2HB   ALA   6          1HB       ALA   6   1.710  -1.327  -1.327
   57   3HB   ALA   6          3HB       ALA   6   1.888  -2.248  -2.248
   58    H    VAL   7           H        VAL   7  -1.794  -1.102  -1.102
   59    HA   VAL   7           HA       VAL   7  -1.706   0.876   0.876
   60    HB   VAL   7           HB       VAL   7  -3.377  -1.228  -1.228
   61   1HG1  VAL   7          3HG1      VAL   7  -4.788   1.420   1.420
   62   2HG1  VAL   7          2HG1      VAL   7  -5.615  -0.110  -0.110
   63   3HG1  VAL   7          1HG1      VAL   7  -4.941   0.246   0.246
   64   1HG2  VAL   7          3HG2      VAL   7  -2.850   0.266   0.266
   65   2HG2  VAL   7          2HG2      VAL   7  -3.088  -1.465  -1.465
   66   3HG2  VAL   7          1HG2      VAL   7  -4.483  -0.396  -0.396
   67    H    VAL   8           H        VAL   8  -3.422   0.839   0.839
   68    HA   VAL   8           HA       VAL   8  -4.588   3.367   3.367
   69    HB   VAL   8           HB       VAL   8  -3.044   1.844   1.844
   70   1HG1  VAL   8          3HG1      VAL   8  -3.485   4.439   4.439
   71   2HG1  VAL   8          2HG1      VAL   8  -5.126   3.899   3.899
   72   3HG1  VAL   8          1HG1      VAL   8  -3.779   3.322   3.322
   73   1HG2  VAL   8          3HG2      VAL   8  -5.630   1.557   1.557
   74   2HG2  VAL   8          2HG2      VAL   8  -4.875   0.533   0.533
   75   3HG2  VAL   8          1HG2      VAL   8  -5.839   1.925   1.925
   76    H    ALA   9           H        ALA   9  -1.207   2.485   2.485
   77    HA   ALA   9           HA       ALA   9  -0.168   5.049   5.049
   78   1HB   ALA   9          3HB       ALA   9   0.822   2.620   2.620
   79   2HB   ALA   9          2HB       ALA   9   1.306   3.018   3.018
   80   3HB   ALA   9          1HB       ALA   9   1.904   3.981   3.981
   81    H    LEU  10           H        LEU  10  -0.352   3.438   3.438
   82    HA   LEU  10           HA       LEU  10   0.760   5.595   5.595
   83   1HB   LEU  10          2HB       LEU  10  -1.267   3.469   3.469
   84   2HB   LEU  10          1HB       LEU  10  -0.370   4.453   4.453
   85    HG   LEU  10           HG       LEU  10   1.403   3.228   3.228
   86   1HD1  LEU  10          2HD1      LEU  10  -0.731   1.586   1.586
   87   2HD1  LEU  10          1HD1      LEU  10   0.887   0.976   0.976
   88   3HD1  LEU  10          3HD1      LEU  10   0.373   1.215   1.215
   89   1HD2  LEU  10          2HD2      LEU  10   1.150   2.997   2.997
   90   2HD2  LEU  10          1HD2      LEU  10   2.099   4.212   4.212
   91   3HD2  LEU  10          3HD2      LEU  10   2.555   2.512   2.512
   92    H    ILE  11           H        ILE  11  -2.647   4.795   4.795
   93    HA   ILE  11           HA       ILE  11  -3.924   6.823   6.823
   94    HB   ILE  11           HB       ILE  11  -5.776   6.316   6.316
   95   1HG1  ILE  11          2HG1      ILE  11  -5.546   5.935   5.935
   96   2HG1  ILE  11          1HG1      ILE  11  -3.936   6.629   6.629
   97   1HG2  ILE  11          3HG2      ILE  11  -4.328   4.160   4.160
   98   2HG2  ILE  11          2HG2      ILE  11  -4.111   4.239   4.239
   99   3HG2  ILE  11          1HG2      ILE  11  -5.728   4.087   4.087
  100   1HD1  ILE  11          1HD1      ILE  11  -6.122   8.125   8.125
  101   2HD1  ILE  11          3HD1      ILE  11  -6.165   8.120   8.120
  102   3HD1  ILE  11          2HD1      ILE  11  -4.743   8.728   8.728
  103    H    ASP  12           H        ASP  12  -2.176   6.996   6.996
  104    HA   ASP  12           HA       ASP  12  -2.691   9.788   9.788
  105   1HB   ASP  12          2HB       ASP  12  -1.362   7.513   7.513
  106   2HB   ASP  12          1HB       ASP  12  -0.176   8.818   8.818
  107    H    VAL  13           H        VAL  13  -0.246   7.962   7.962
  108    HA   VAL  13           HA       VAL  13   1.594  10.088  10.088
  109    HB   VAL  13           HB       VAL  13   0.822   7.553   7.553
  110   1HG1  VAL  13          3HG1      VAL  13   1.861   9.450   9.450
  111   2HG1  VAL  13          2HG1      VAL  13   3.335   9.118   9.118
  112   3HG1  VAL  13          1HG1      VAL  13   2.597   7.850   7.850
  113   1HG2  VAL  13          2HG2      VAL  13   2.381   8.133   8.133
  114   2HG2  VAL  13          1HG2      VAL  13   2.217   6.581   6.581
  115   3HG2  VAL  13          3HG2      VAL  13   3.509   7.688   7.688
  116    H    PHE  14           H        PHE  14  -1.091   8.847   8.847
  117    HA   PHE  14           HA       PHE  14  -0.908  10.744  10.744
  118   1HB   PHE  14          2HB       PHE  14  -3.079   9.056   9.056
  119   2HB   PHE  14          1HB       PHE  14  -3.640  10.613  10.613
  120    HD1  PHE  14           HD2      PHE  14  -2.792  11.421  11.421
  121    HD2  PHE  14           HD1      PHE  14  -2.561   7.325   7.325
  122    HE1  PHE  14           HE2      PHE  14  -2.518  10.711  10.711
  123    HE2  PHE  14           HE1      PHE  14  -2.273   6.613   6.613
  124    HZ   PHE  14           HZ       PHE  14  -2.251   8.302   8.302
  125    H    HIS  15           H        HIS  15  -2.811  11.053  11.053
  126    HA   HIS  15           HA       HIS  15  -3.858  13.584  13.584
  127   1HB   HIS  15          2HB       HIS  15  -4.266  12.893  12.893
  128   2HB   HIS  15          1HB       HIS  15  -2.962  11.720  11.720
  129    HD1  HIS  15           HD1      HIS  15  -1.807  12.057  12.057
  130    HD2  HIS  15           HD2      HIS  15  -2.434  15.668  15.668
  131    HE1  HIS  15           HE1      HIS  15  -0.609  13.835  13.835
  132    H    GLN  16           H        GLN  16  -0.492  12.880  12.880
  133    HA   GLN  16           HA       GLN  16   0.329  15.658  15.658
  134   1HB   GLN  16          2HB       GLN  16   1.902  13.068  13.068
  135   2HB   GLN  16          1HB       GLN  16   2.547  14.627  14.627
  136   1HG   GLN  16          2HG       GLN  16   1.401  14.548  14.548
  137   2HG   GLN  16          1HG       GLN  16   0.239  13.361  13.361
  138   1HE2  GLN  16          2HE2      GLN  16   3.964  12.065  12.065
  139   2HE2  GLN  16          1HE2      GLN  16   3.756  13.689  13.689
  140    H    TYR  17           H        TYR  17   1.467  13.008  13.008
  141    HA   TYR  17           HA       TYR  17   2.641  14.320  14.320
  142   1HB   TYR  17          2HB       TYR  17   0.978  11.859  11.859
  143   2HB   TYR  17          1HB       TYR  17   1.431  12.331  12.331
  144    HD1  TYR  17           HD2      TYR  17   3.801  12.506  12.506
  145    HD2  TYR  17           HD1      TYR  17   2.635  11.176  11.176
  146    HE1  TYR  17           HE2      TYR  17   6.099  11.668  11.668
  147    HE2  TYR  17           HE1      TYR  17   4.922  10.311  10.311
  148    HH   TYR  17           HH       TYR  17   7.479  11.197  11.197
  149    H    SER  18           H        SER  18  -0.745  13.250  13.250
  150    HA   SER  18           HA       SER  18  -1.216  15.133  15.133
  151   1HB   SER  18          2HB       SER  18  -2.798  13.210  13.210
  152   2HB   SER  18          1HB       SER  18  -3.658  14.338  14.338
  153    HG   SER  18           HG       SER  18  -1.607  12.525  12.525
  154    H    GLY  19           H        GLY  19  -0.906  15.778  15.778
  155   1HA   GLY  19          2HA       GLY  19  -2.474  18.271  18.271
  156   2HA   GLY  19          1HA       GLY  19  -2.919  17.222  17.222
  157    H    ARG  20           H        ARG  20   0.350  17.992  17.992
  158    HA   ARG  20           HA       ARG  20   0.953  19.153  19.153
  159   1HB   ARG  20          2HB       ARG  20   3.211  18.182  18.182
  160   2HB   ARG  20          1HB       ARG  20   1.966  16.937  16.937
  161   1HG   ARG  20          2HG       ARG  20   2.031  16.894  16.894
  162   2HG   ARG  20          1HG       ARG  20   3.097  18.298  18.298
  163   1HD   ARG  20          2HD       ARG  20   4.187  16.168  16.168
  164   2HD   ARG  20          1HD       ARG  20   3.938  15.642  15.642
  165    HE   ARG  20           HE       ARG  20   5.647  17.921  17.921
  166   1HH1  ARG  20          1HH2      ARG  20   5.482  15.288  15.288
  167   2HH1  ARG  20          2HH2      ARG  20   6.019  16.095  16.095
  168   1HH2  ARG  20          2HH1      ARG  20   5.820  19.265  19.265
  169   2HH2  ARG  20          1HH1      ARG  20   6.211  18.347  18.347
  170    H    GLU  21           H        GLU  21   0.530  19.936  19.936
  171    HA   GLU  21           HA       GLU  21   2.335  22.301  22.301
  172   1HB   GLU  21          2HB       GLU  21   3.535  20.648  20.648
  173   2HB   GLU  21          1HB       GLU  21   2.108  20.338  20.338
  174   1HG   GLU  21          2HG       GLU  21   3.245  21.810  21.810
  175   2HG   GLU  21          1HG       GLU  21   2.271  22.950  22.950
  176    H    GLY  22           H        GLY  22   0.368  21.068  21.068
  177   1HA   GLY  22          2HA       GLY  22  -1.744  23.059  23.059
  178   2HA   GLY  22          1HA       GLY  22  -0.794  23.317  23.317
  179    H    ASP  23           H        ASP  23  -2.296  20.493  20.493
  180    HA   ASP  23           HA       ASP  23  -3.841  19.930  19.930
  181   1HB   ASP  23          2HB       ASP  23  -1.853  17.999  17.999
  182   2HB   ASP  23          1HB       ASP  23  -2.863  17.681  17.681
  183    H    LYS  24           H        LYS  24  -5.060  17.675  17.675
  184    HA   LYS  24           HA       LYS  24  -6.110  17.907  17.907
  185   1HB   LYS  24          2HB       LYS  24  -7.298  17.568  17.568
  186   2HB   LYS  24          1HB       LYS  24  -8.073  16.670  16.670
  187   1HG   LYS  24          2HG       LYS  24  -7.428  19.617  19.617
  188   2HG   LYS  24          1HG       LYS  24  -8.963  19.034  19.034
  189   1HD   LYS  24          2HD       LYS  24  -9.219  17.681  17.681
  190   2HD   LYS  24          1HD       LYS  24  -7.834  18.566  18.566
  191   1HE   LYS  24          2HE       LYS  24  -9.052  20.476  20.476
  192   2HE   LYS  24          1HE       LYS  24  -9.943  20.267  20.267
  193   1HZ   LYS  24          1HZ       LYS  24 -11.031  18.302  18.302
  194   2HZ   LYS  24          3HZ       LYS  24 -10.403  18.898  18.898
  195   3HZ   LYS  24          2HZ       LYS  24 -11.500  19.835  19.835
  196    H    HIS  25           H        HIS  25  -6.928  15.303  15.303
  197    HA   HIS  25           HA       HIS  25  -5.251  13.420  13.420
  198   1HB   HIS  25          2HB       HIS  25  -7.958  12.687  12.687
  199   2HB   HIS  25          1HB       HIS  25  -7.123  12.033  12.033
  200    HD1  HIS  25           HD1      HIS  25 -10.071  13.566  13.566
  201    HD2  HIS  25           HD2      HIS  25  -6.628  14.911  14.911
  202    HE1  HIS  25           HE1      HIS  25 -10.821  15.314  15.314
  203    H    LYS  26           H        LYS  26  -4.093  14.204  14.204
  204    HA   LYS  26           HA       LYS  26  -4.271  11.819  11.819
  205   1HB   LYS  26          2HB       LYS  26  -5.901  13.566  13.566
  206   2HB   LYS  26          1HB       LYS  26  -4.520  14.636  14.636
  207   1HG   LYS  26          2HG       LYS  26  -4.186  11.928  11.928
  208   2HG   LYS  26          1HG       LYS  26  -5.484  12.864  12.864
  209   1HD   LYS  26          2HD       LYS  26  -3.772  14.793  14.793
  210   2HD   LYS  26          1HD       LYS  26  -2.552  13.560  13.560
  211   1HE   LYS  26          2HE       LYS  26  -3.030  12.391  12.391
  212   2HE   LYS  26          1HE       LYS  26  -4.578  13.235  13.235
  213   1HZ   LYS  26          3HZ       LYS  26  -3.320  15.332  15.332
  214   2HZ   LYS  26          2HZ       LYS  26  -1.868  14.453  14.453
  215   3HZ   LYS  26          1HZ       LYS  26  -2.933  14.259  14.259
  216    H    LEU  27           H        LEU  27  -2.295  11.540  11.540
  217    HA   LEU  27           HA       LEU  27  -0.096  13.394  13.394
  218   1HB   LEU  27          2HB       LEU  27  -0.503  10.615  10.615
  219   2HB   LEU  27          1HB       LEU  27   0.801  10.765  10.765
  220    HG   LEU  27           HG       LEU  27   1.108  12.729  12.729
  221   1HD1  LEU  27          2HD1      LEU  27   0.571   9.888   9.888
  222   2HD1  LEU  27          1HD1      LEU  27   1.793  10.804  10.804
  223   3HD1  LEU  27          3HD1      LEU  27   0.127  11.379  11.379
  224   1HD2  LEU  27          3HD2      LEU  27   2.847  11.863  11.863
  225   2HD2  LEU  27          2HD2      LEU  27   3.344  11.773  11.773
  226   3HD2  LEU  27          1HD2      LEU  27   2.796  10.320  10.320
  227    H    LYS  28           H        LYS  28   1.543  13.822  13.822
  228    HA   LYS  28           HA       LYS  28   0.675  13.231  13.231
  229   1HB   LYS  28          2HB       LYS  28   2.082  15.588  15.588
  230   2HB   LYS  28          1HB       LYS  28   1.896  15.410  15.410
  231   1HG   LYS  28          2HG       LYS  28  -0.341  15.880  15.880
  232   2HG   LYS  28          1HG       LYS  28  -0.578  15.065  15.065
  233   1HD   LYS  28          2HD       LYS  28  -0.901  17.494  17.494
  234   2HD   LYS  28          1HD       LYS  28   0.513  16.960  16.960
  235   1HE   LYS  28          2HE       LYS  28   1.800  17.540  17.540
  236   2HE   LYS  28          1HE       LYS  28   0.394  18.585  18.585
  237   1HZ   LYS  28          1HZ       LYS  28   1.926  18.515  18.515
  238   2HZ   LYS  28          3HZ       LYS  28   2.190  19.659  19.659
  239   3HZ   LYS  28          2HZ       LYS  28   0.692  19.604  19.604
  240    H    LYS  29           H        LYS  29   2.553  13.142  13.142
  241    HA   LYS  29           HA       LYS  29   4.447  11.190  11.190
  242   1HB   LYS  29          2HB       LYS  29   4.092  13.405  13.405
  243   2HB   LYS  29          1HB       LYS  29   5.747  12.811  12.811
  244   1HG   LYS  29          2HG       LYS  29   5.209  10.715  10.715
  245   2HG   LYS  29          1HG       LYS  29   3.559  10.788  10.788
  246   1HD   LYS  29          2HD       LYS  29   3.259  11.006  11.006
  247   2HD   LYS  29          1HD       LYS  29   3.225  12.677  12.677
  248   1HE   LYS  29          2HE       LYS  29   5.779  12.681  12.681
  249   2HE   LYS  29          1HE       LYS  29   5.465  11.222  11.222
  250   1HZ   LYS  29          1HZ       LYS  29   3.458  12.769  12.769
  251   2HZ   LYS  29          3HZ       LYS  29   4.618  13.966  13.966
  252   3HZ   LYS  29          2HZ       LYS  29   4.959  12.728  12.728
  253    H    SER  30           H        SER  30   4.893  14.724  14.724
  254    HA   SER  30           HA       SER  30   7.614  14.547  14.547
  255   1HB   SER  30          2HB       SER  30   5.532  16.510  16.510
  256   2HB   SER  30          1HB       SER  30   6.390  16.868  16.868
  257    HG   SER  30           HG       SER  30   7.278  16.853  16.853
  258    H    GLU  31           H        GLU  31   4.507  15.012  15.012
  259    HA   GLU  31           HA       GLU  31   5.560  15.050  15.050
  260   1HB   GLU  31          2HB       GLU  31   3.025  14.828  14.828
  261   2HB   GLU  31          1HB       GLU  31   3.046  13.751  13.751
  262   1HG   GLU  31          2HG       GLU  31   3.642  15.575  15.575
  263   2HG   GLU  31          1HG       GLU  31   3.846  16.671  16.671
  264    H    LEU  32           H        LEU  32   4.502  12.338  12.338
  265    HA   LEU  32           HA       LEU  32   4.768  10.208  10.208
  266   1HB   LEU  32          2HB       LEU  32   4.363  10.639  10.639
  267   2HB   LEU  32          1HB       LEU  32   5.804   9.624   9.624
  268    HG   LEU  32           HG       LEU  32   3.086   9.040   9.040
  269   1HD1  LEU  32          1HD1      LEU  32   3.774   8.584   8.584
  270   2HD1  LEU  32          3HD1      LEU  32   4.672   7.238   7.238
  271   3HD1  LEU  32          2HD1      LEU  32   2.924   7.340   7.340
  272   1HD2  LEU  32          2HD2      LEU  32   5.721   7.564   7.564
  273   2HD2  LEU  32          1HD2      LEU  32   4.819   8.372   8.372
  274   3HD2  LEU  32          3HD2      LEU  32   4.152   6.937   6.937
  275    H    LYS  33           H        LYS  33   7.256  11.493  11.493
  276    HA   LYS  33           HA       LYS  33   9.447   9.941   9.941
  277   1HB   LYS  33          2HB       LYS  33   9.236  11.873  11.873
  278   2HB   LYS  33          1HB       LYS  33   9.530  12.955  12.955
  279   1HG   LYS  33          2HG       LYS  33  11.640  12.479  12.479
  280   2HG   LYS  33          1HG       LYS  33  11.666  11.770  11.770
  281   1HD   LYS  33          2HD       LYS  33  11.079   9.577   9.577
  282   2HD   LYS  33          1HD       LYS  33  10.955  10.266  10.266
  283   1HE   LYS  33          2HE       LYS  33  13.521  10.870  10.870
  284   2HE   LYS  33          1HE       LYS  33  13.250   9.133   9.133
  285   1HZ   LYS  33          3HZ       LYS  33  12.863  11.247  11.247
  286   2HZ   LYS  33          2HZ       LYS  33  14.189  10.187  10.187
  287   3HZ   LYS  33          1HZ       LYS  33  12.629   9.583   9.583
  288    H    GLU  34           H        GLU  34   8.600  13.067  13.067
  289    HA   GLU  34           HA       GLU  34  10.392  13.064  13.064
  290   1HB   GLU  34          2HB       GLU  34   8.076  14.400  14.400
  291   2HB   GLU  34          1HB       GLU  34   7.598  13.617  13.617
  292   1HG   GLU  34          2HG       GLU  34   8.595  15.399  15.399
  293   2HG   GLU  34          1HG       GLU  34  10.106  14.575  14.575
  294    H    LEU  35           H        LEU  35   7.326  11.326  11.326
  295    HA   LEU  35           HA       LEU  35   7.130  10.165  10.165
  296   1HB   LEU  35          2HB       LEU  35   5.737  10.140  10.140
  297   2HB   LEU  35          1HB       LEU  35   6.464   8.534   8.534
  298    HG   LEU  35           HG       LEU  35   5.418   9.196   9.196
  299   1HD1  LEU  35          2HD1      LEU  35   3.809   9.978   9.978
  300   2HD1  LEU  35          1HD1      LEU  35   3.170   8.414   8.414
  301   3HD1  LEU  35          3HD1      LEU  35   3.288   9.739   9.739
  302   1HD2  LEU  35          2HD2      LEU  35   6.240   6.975   6.975
  303   2HD2  LEU  35          1HD2      LEU  35   4.994   6.941   6.941
  304   3HD2  LEU  35          3HD2      LEU  35   4.535   6.889   6.889
  305    H    ILE  36           H        ILE  36   9.059   9.073   9.073
  306    HA   ILE  36           HA       ILE  36  10.041   6.781   6.781
  307    HB   ILE  36           HB       ILE  36  11.460   7.093   7.093
  308   1HG1  ILE  36          2HG1      ILE  36   9.514   8.483   8.483
  309   2HG1  ILE  36          1HG1      ILE  36   9.608   6.954   6.954
  310   1HG2  ILE  36          2HG2      ILE  36   9.374   5.180   5.180
  311   2HG2  ILE  36          1HG2      ILE  36  10.248   4.940   4.940
  312   3HG2  ILE  36          3HG2      ILE  36  11.125   4.976   4.976
  313   1HD1  ILE  36          3HD1      ILE  36   8.038   6.909   6.909
  314   2HD1  ILE  36          2HD1      ILE  36   7.337   7.820   7.820
  315   3HD1  ILE  36          1HD1      ILE  36   7.726   6.112   6.112
  316    H    ASN  37           H        ASN  37  11.395   9.599   9.599
  317    HA   ASN  37           HA       ASN  37  14.079   9.431   9.431
  318   1HB   ASN  37          2HB       ASN  37  12.168  11.635  11.635
  319   2HB   ASN  37          1HB       ASN  37  13.823  12.013  12.013
  320   1HD2  ASN  37          2HD2      ASN  37  14.632  11.711  11.711
  321   2HD2  ASN  37          1HD2      ASN  37  14.498  12.762  12.762
  322    H    ASN  38           H        ASN  38  11.366  10.586  10.586
  323    HA   ASN  38           HA       ASN  38  13.230  11.499  11.499
  324   1HB   ASN  38          2HB       ASN  38  10.290  11.596  11.596
  325   2HB   ASN  38          1HB       ASN  38  10.824  11.831  11.831
  326   1HD2  ASN  38          2HD2      ASN  38  10.819  15.115  15.115
  327   2HD2  ASN  38          1HD2      ASN  38   9.647  13.897  13.897
  328    H    GLU  39           H        GLU  39  10.451   9.269   9.269
  329    HA   GLU  39           HA       GLU  39  11.058   7.893   7.893
  330   1HB   GLU  39          2HB       GLU  39   9.473   6.887   6.887
  331   2HB   GLU  39          1HB       GLU  39   9.186   6.560   6.560
  332   1HG   GLU  39          2HG       GLU  39   9.158   9.391   9.391
  333   2HG   GLU  39          1HG       GLU  39   8.129   8.694   8.694
  334    H    LEU  40           H        LEU  40  11.517   7.065   7.065
  335    HA   LEU  40           HA       LEU  40  13.337   4.834   4.834
  336   1HB   LEU  40          2HB       LEU  40  11.797   5.601   5.601
  337   2HB   LEU  40          1HB       LEU  40  13.022   4.332   4.332
  338    HG   LEU  40           HG       LEU  40  11.701   3.440   3.440
  339   1HD1  LEU  40          2HD1      LEU  40  10.165   5.663   5.663
  340   2HD1  LEU  40          1HD1      LEU  40   9.258   4.355   4.355
  341   3HD1  LEU  40          3HD1      LEU  40   9.632   4.284   4.284
  342   1HD2  LEU  40          1HD2      LEU  40  11.801   2.782   2.782
  343   2HD2  LEU  40          3HD2      LEU  40  11.048   1.804   1.804
  344   3HD2  LEU  40          2HD2      LEU  40  10.070   2.918   2.918
  345    H    SER  41           H        SER  41  14.522   7.238   7.238
  346    HA   SER  41           HA       SER  41  15.781   8.840   8.840
  347   1HB   SER  41          2HB       SER  41  16.262   7.839   7.839
  348   2HB   SER  41          1HB       SER  41  17.788   7.659   7.659
  349    HG   SER  41           HG       SER  41  16.238  10.030  10.030
  350    H    HIS  42           H        HIS  42  16.441   5.370   5.370
  351    HA   HIS  42           HA       HIS  42  18.850   5.045   5.045
  352   1HB   HIS  42          2HB       HIS  42  16.851   3.437   3.437
  353   2HB   HIS  42          1HB       HIS  42  16.542   3.405   3.405
  354    HD1  HIS  42           HD1      HIS  42  19.234   2.584   2.584
  355    HD2  HIS  42           HD2      HIS  42  18.409   1.948   1.948
  356    HE1  HIS  42           HE1      HIS  42  20.967   0.938   0.938
  357    H    PHE  43           H        PHE  43  15.757   6.067   6.067
  358    HA   PHE  43           HA       PHE  43  16.742   5.886   5.886
  359   1HB   PHE  43          2HB       PHE  43  14.246   6.781   6.781
  360   2HB   PHE  43          1HB       PHE  43  14.486   7.212   7.212
  361    HD1  PHE  43           HD2      PHE  43  15.322   5.253   5.253
  362    HD2  PHE  43           HD1      PHE  43  13.318   4.715   4.715
  363    HE1  PHE  43           HE2      PHE  43  14.701   2.944   2.944
  364    HE2  PHE  43           HE1      PHE  43  12.705   2.401   2.401
  365    HZ   PHE  43           HZ       PHE  43  13.395   1.518   1.518
  366    H    LEU  44           H        LEU  44  16.799   8.249   8.249
  367    HA   LEU  44           HA       LEU  44  16.884  10.698  10.698
  368   1HB   LEU  44          2HB       LEU  44  17.256   9.945   9.945
  369   2HB   LEU  44          1HB       LEU  44  18.959  10.011  10.011
  370    HG   LEU  44           HG       LEU  44  18.436  12.344  12.344
  371   1HD1  LEU  44          1HD1      LEU  44  15.841  11.511  11.511
  372   2HD1  LEU  44          3HD1      LEU  44  16.328  12.895  12.895
  373   3HD1  LEU  44          2HD1      LEU  44  16.295  13.027  13.027
  374   1HD2  LEU  44          1HD2      LEU  44  18.561  11.520  11.520
  375   2HD2  LEU  44          3HD2      LEU  44  19.726  12.441  12.441
  376   3HD2  LEU  44          2HD2      LEU  44  18.259  13.221  13.221
  377    H    GLU  45           H        GLU  45  19.121   8.060   8.060
  378    HA   GLU  45           HA       GLU  45  21.238   9.373   9.373
  379   1HB   GLU  45          2HB       GLU  45  20.777   6.911   6.911
  380   2HB   GLU  45          1HB       GLU  45  22.025   6.830   6.830
  381   1HG   GLU  45          2HG       GLU  45  22.063   9.270   9.270
  382   2HG   GLU  45          1HG       GLU  45  22.488   7.770   7.770
  383    H    GLU  46           H        GLU  46  18.688   6.951   6.951
  384    HA   GLU  46           HA       GLU  46  17.736   5.894   5.894
  385   1HB   GLU  46          2HB       GLU  46  17.858   8.334   8.334
  386   2HB   GLU  46          1HB       GLU  46  19.361   7.954   7.954
  387   1HG   GLU  46          2HG       GLU  46  18.277   6.531   6.531
  388   2HG   GLU  46          1HG       GLU  46  16.844   6.379   6.379
  389    H    ILE  47           H        ILE  47  20.934   6.913   6.913
  390    HA   ILE  47           HA       ILE  47  21.666   4.825   4.825
  391    HB   ILE  47           HB       ILE  47  22.939   6.891   6.891
  392   1HG1  ILE  47          2HG1      ILE  47  25.173   5.805   5.805
  393   2HG1  ILE  47          1HG1      ILE  47  24.403   4.240   4.240
  394   1HG2  ILE  47          1HG2      ILE  47  23.554   5.092   5.092
  395   2HG2  ILE  47          3HG2      ILE  47  24.415   6.592   6.592
  396   3HG2  ILE  47          2HG2      ILE  47  22.697   6.631   6.631
  397   1HD1  ILE  47          1HD1      ILE  47  23.005   5.628   5.628
  398   2HD1  ILE  47          3HD1      ILE  47  24.728   5.617   5.617
  399   3HD1  ILE  47          2HD1      ILE  47  23.877   4.098   4.098
  400    H    LYS  48           H        LYS  48  21.423   4.743   4.743
  401    HA   LYS  48           HA       LYS  48  22.903   2.498   2.498
  402   1HB   LYS  48          2HB       LYS  48  20.091   3.229   3.229
  403   2HB   LYS  48          1HB       LYS  48  21.273   2.316   2.316
  404   1HG   LYS  48          2HG       LYS  48  22.081   5.015   5.015
  405   2HG   LYS  48          1HG       LYS  48  20.960   4.941   4.941
  406   1HD   LYS  48          2HD       LYS  48  22.811   3.080   3.080
  407   2HD   LYS  48          1HD       LYS  48  23.816   4.238   4.238
  408   1HE   LYS  48          2HE       LYS  48  23.771   5.592   5.592
  409   2HE   LYS  48          1HE       LYS  48  22.011   5.741   5.741
  410   1HZ   LYS  48          1HZ       LYS  48  21.926   3.442   3.442
  411   2HZ   LYS  48          3HZ       LYS  48  23.527   3.716   3.716
  412   3HZ   LYS  48          2HZ       LYS  48  22.287   4.742   4.742
  413    H    GLU  49           H        GLU  49  20.096   2.663   2.663
  414    HA   GLU  49           HA       GLU  49  20.228  -0.257  -0.257
  415   1HB   GLU  49          2HB       GLU  49  17.670  -0.273  -0.273
  416   2HB   GLU  49          1HB       GLU  49  18.699  -0.207  -0.207
  417   1HG   GLU  49          2HG       GLU  49  18.463   2.305   2.305
  418   2HG   GLU  49          1HG       GLU  49  17.262   2.108   2.108
  419    H    GLN  50           H        GLN  50  20.733   0.173   0.173
  420    HA   GLN  50           HA       GLN  50  19.331   2.118   2.118
  421   1HB   GLN  50          2HB       GLN  50  20.627   1.085   1.085
  422   2HB   GLN  50          1HB       GLN  50  21.642   1.248   1.248
  423   1HG   GLN  50          2HG       GLN  50  21.077  -1.125  -1.125
  424   2HG   GLN  50          1HG       GLN  50  20.237  -1.263  -1.263
  425   1HE2  GLN  50          2HE2      GLN  50  24.260  -0.498  -0.498
  426   2HE2  GLN  50          1HE2      GLN  50  23.331   0.410   0.410
  427    H    GLU  51           H        GLU  51  19.075  -1.462  -1.462
  428    HA   GLU  51           HA       GLU  51  17.074  -1.809  -1.809
  429   1HB   GLU  51          2HB       GLU  51  18.403  -3.608  -3.608
  430   2HB   GLU  51          1HB       GLU  51  17.561  -3.326  -3.326
  431   1HG   GLU  51          2HG       GLU  51  15.423  -3.626  -3.626
  432   2HG   GLU  51          1HG       GLU  51  16.577  -4.620  -4.620
  433    H    VAL  52           H        VAL  52  16.850  -0.836  -0.836
  434    HA   VAL  52           HA       VAL  52  13.942  -1.045  -1.045
  435    HB   VAL  52           HB       VAL  52  15.920   0.507   0.507
  436   1HG1  VAL  52          2HG1      VAL  52  13.054   0.135   0.135
  437   2HG1  VAL  52          1HG1      VAL  52  13.788  -0.600  -0.600
  438   3HG1  VAL  52          3HG1      VAL  52  14.071   1.103   1.103
  439   1HG2  VAL  52          3HG2      VAL  52  14.985  -2.375  -2.375
  440   2HG2  VAL  52          2HG2      VAL  52  16.636  -1.808  -1.808
  441   3HG2  VAL  52          1HG2      VAL  52  15.850  -1.564  -1.564
  442    H    VAL  53           H        VAL  53  16.332   1.415   1.415
  443    HA   VAL  53           HA       VAL  53  14.594   3.699   3.699
  444    HB   VAL  53           HB       VAL  53  17.096   2.939   2.939
  445   1HG1  VAL  53          2HG1      VAL  53  15.613   4.767   4.767
  446   2HG1  VAL  53          1HG1      VAL  53  15.999   5.726   5.726
  447   3HG1  VAL  53          3HG1      VAL  53  17.285   5.213   5.213
  448   1HG2  VAL  53          2HG2      VAL  53  16.854   3.360   3.360
  449   2HG2  VAL  53          1HG2      VAL  53  18.304   3.771   3.771
  450   3HG2  VAL  53          3HG2      VAL  53  17.108   5.015   5.015
  451    H    ASP  54           H        ASP  54  15.303   1.059   1.059
  452    HA   ASP  54           HA       ASP  54  13.962   2.072   2.072
  453   1HB   ASP  54          2HB       ASP  54  15.440   0.276   0.276
  454   2HB   ASP  54          1HB       ASP  54  14.864  -0.580  -0.580
  455    H    LYS  55           H        LYS  55  12.980   0.011   0.011
  456    HA   LYS  55           HA       LYS  55  10.202  -0.216  -0.216
  457   1HB   LYS  55          2HB       LYS  55  11.808  -0.875  -0.875
  458   2HB   LYS  55          1HB       LYS  55  10.054  -1.076  -1.076
  459   1HG   LYS  55          2HG       LYS  55  10.735  -3.173  -3.173
  460   2HG   LYS  55          1HG       LYS  55  10.534  -2.344  -2.344
  461   1HD   LYS  55          2HD       LYS  55  12.965  -1.764  -1.764
  462   2HD   LYS  55          1HD       LYS  55  13.130  -2.737  -2.737
  463   1HE   LYS  55          2HE       LYS  55  12.240  -3.728  -3.728
  464   2HE   LYS  55          1HE       LYS  55  13.747  -4.139  -4.139
  465   1HZ   LYS  55          2HZ       LYS  55  12.127  -4.764  -4.764
  466   2HZ   LYS  55          1HZ       LYS  55  10.986  -4.908  -4.908
  467   3HZ   LYS  55          3HZ       LYS  55  12.386  -5.865  -5.865
  468    H    VAL  56           H        VAL  56  11.558   1.174   1.174
  469    HA   VAL  56           HA       VAL  56   9.564   2.705   2.705
  470    HB   VAL  56           HB       VAL  56  12.423   3.578   3.578
  471   1HG1  VAL  56          1HG1      VAL  56  10.254   4.920   4.920
  472   2HG1  VAL  56          3HG1      VAL  56  11.420   4.439   4.439
  473   3HG1  VAL  56          2HG1      VAL  56  11.936   5.435   5.435
  474   1HG2  VAL  56          2HG2      VAL  56  11.384   1.385   1.385
  475   2HG2  VAL  56          1HG2      VAL  56  13.042   1.984   1.984
  476   3HG2  VAL  56          3HG2      VAL  56  11.908   2.586   2.586
  477    H    MET  57           H        MET  57  11.338   3.457   3.457
  478    HA   MET  57           HA       MET  57   9.994   6.068   6.068
  479   1HB   MET  57          2HB       MET  57  11.982   4.438   4.438
  480   2HB   MET  57          1HB       MET  57  11.371   5.999   5.999
  481   1HG   MET  57          2HG       MET  57  12.591   5.661   5.661
  482   2HG   MET  57          1HG       MET  57  13.585   6.003   6.003
  483   1HE   MET  57          3HE       MET  57  12.862   7.147   7.147
  484   2HE   MET  57          2HE       MET  57  13.659   8.644   8.644
  485   3HE   MET  57          1HE       MET  57  11.981   8.680   8.680
  486    H    GLU  58           H        GLU  58   9.820   2.801   2.801
  487    HA   GLU  58           HA       GLU  58   8.060   3.459   3.459
  488   1HB   GLU  58          2HB       GLU  58   8.073   1.142   1.142
  489   2HB   GLU  58          1HB       GLU  58   9.565   1.376   1.376
  490   1HG   GLU  58          2HG       GLU  58   8.640  -0.348  -0.348
  491   2HG   GLU  58          1HG       GLU  58   7.926   1.024   1.024
  492    H    THR  59           H        THR  59   7.509   2.657   2.657
  493    HA   THR  59           HA       THR  59   4.589   2.470   2.470
  494    HB   THR  59           HB       THR  59   6.282   2.427   2.427
  495    HG1  THR  59           HG1      THR  59   5.604   0.449   0.449
  496   1HG2  THR  59          3HG2      THR  59   3.785   2.764   2.764
  497   2HG2  THR  59          2HG2      THR  59   3.579   1.184   1.184
  498   3HG2  THR  59          1HG2      THR  59   4.400   1.315   1.315
  499    H    LEU  60           H        LEU  60   6.973   4.615   4.615
  500    HA   LEU  60           HA       LEU  60   5.133   6.449   6.449
  501   1HB   LEU  60          2HB       LEU  60   7.629   6.184   6.184
  502   2HB   LEU  60          1HB       LEU  60   7.878   7.017   7.017
  503    HG   LEU  60           HG       LEU  60   6.913   9.031   9.031
  504   1HD1  LEU  60          2HD1      LEU  60   5.711   7.199   7.199
  505   2HD1  LEU  60          1HD1      LEU  60   6.026   8.865   8.865
  506   3HD1  LEU  60          3HD1      LEU  60   4.971   8.533   8.533
  507   1HD2  LEU  60          3HD2      LEU  60   9.191   8.447   8.447
  508   2HD2  LEU  60          2HD2      LEU  60   8.280   9.557   9.557
  509   3HD2  LEU  60          1HD2      LEU  60   8.398   7.853   7.853
  510    H    ASP  61           H        ASP  61   6.976   6.783   6.783
  511    HA   ASP  61           HA       ASP  61   5.851   9.128   9.128
  512   1HB   ASP  61          2HB       ASP  61   7.595   7.330   7.330
  513   2HB   ASP  61          1HB       ASP  61   6.194   6.768   6.768
  514    H    SER  62           H        SER  62   4.543   5.814   5.814
  515    HA   SER  62           HA       SER  62   2.061   6.895   6.895
  516   1HB   SER  62          2HB       SER  62   1.548   4.398   4.398
  517   2HB   SER  62          1HB       SER  62   2.962   4.925   4.925
  518    HG   SER  62           HG       SER  62   3.343   3.066   3.066
  519    H    ASP  63           H        ASP  63   3.190   6.505   6.505
  520    HA   ASP  63           HA       ASP  63   1.276   5.238   5.238
  521   1HB   ASP  63          2HB       ASP  63   3.346   6.773   6.773
  522   2HB   ASP  63          1HB       ASP  63   2.142   8.059   8.059
  523    H    GLY  64           H        GLY  64  -0.864   5.323   5.323
  524   1HA   GLY  64          2HA       GLY  64  -2.924   6.319   6.319
  525   2HA   GLY  64          1HA       GLY  64  -2.623   7.369   7.369
  526    H    ASP  65           H        ASP  65  -0.316   7.258   7.258
  527    HA   ASP  65           HA       ASP  65   0.580   9.009   9.009
  528   1HB   ASP  65          2HB       ASP  65  -0.895   8.171   8.171
  529   2HB   ASP  65          1HB       ASP  65  -2.321   8.617   8.617
  530    H    GLY  66           H        GLY  66   1.270  10.648  10.648
  531   1HA   GLY  66          2HA       GLY  66   1.276  12.729  12.729
  532   2HA   GLY  66          1HA       GLY  66   0.043  13.178  13.178
  533    H    GLU  67           H        GLU  67  -0.666  10.511  10.511
  534    HA   GLU  67           HA       GLU  67  -2.087  12.270  12.270
  535   1HB   GLU  67          2HB       GLU  67  -3.637  12.070  12.070
  536   2HB   GLU  67          1HB       GLU  67  -3.394  10.328  10.328
  537   1HG   GLU  67          2HG       GLU  67  -4.698   9.920   9.920
  538   2HG   GLU  67          1HG       GLU  67  -4.291  11.460  11.460
  539    H    CYS  68           H        CYS  68  -0.731  11.274  11.274
  540    HA   CYS  68           HA       CYS  68  -1.010   8.327   8.327
  541   1HB   CYS  68          2HB       CYS  68   0.675  10.356  10.356
  542   2HB   CYS  68          1HB       CYS  68   0.893   8.604   8.604
  543    HG   CYS  68           HG       CYS  68   1.658  10.547  10.547
  544    H    ASP  69           H        ASP  69  -3.252   8.458   8.458
  545    HA   ASP  69           HA       ASP  69  -3.875  10.019  10.019
  546   1HB   ASP  69          2HB       ASP  69  -5.309   8.333   8.333
  547   2HB   ASP  69          1HB       ASP  69  -6.092   8.695   8.695
  548    H    PHE  70           H        PHE  70  -5.327   8.822   8.822
  549    HA   PHE  70           HA       PHE  70  -4.397   7.488   7.488
  550   1HB   PHE  70          2HB       PHE  70  -6.806   7.197   7.197
  551   2HB   PHE  70          1HB       PHE  70  -6.528   5.888   5.888
  552    HD1  PHE  70           HD1      PHE  70  -6.126   6.428   6.428
  553    HD2  PHE  70           HD2      PHE  70  -7.468   9.373   9.373
  554    HE1  PHE  70           HE1      PHE  70  -6.877   7.845   7.845
  555    HE2  PHE  70           HE2      PHE  70  -8.203  10.825  10.825
  556    HZ   PHE  70           HZ       PHE  70  -7.889  10.064  10.064
  557    H    GLN  71           H        GLN  71  -5.828   5.103   5.103
  558    HA   GLN  71           HA       GLN  71  -4.191   2.956   2.956
  559   1HB   GLN  71          2HB       GLN  71  -5.218   1.932   1.932
  560   2HB   GLN  71          1HB       GLN  71  -6.335   2.595   2.595
  561   1HG   GLN  71          2HG       GLN  71  -7.109   4.124   4.124
  562   2HG   GLN  71          1HG       GLN  71  -5.477   4.651   4.651
  563   1HE2  GLN  71          2HE2      GLN  71  -6.013   3.308   3.308
  564   2HE2  GLN  71          1HE2      GLN  71  -5.677   4.690   4.690
  565    H    GLU  72           H        GLU  72  -3.434   5.484   5.484
  566    HA   GLU  72           HA       GLU  72  -1.578   3.978   3.978
  567   1HB   GLU  72          2HB       GLU  72  -1.644   6.962   6.962
  568   2HB   GLU  72          1HB       GLU  72  -1.263   6.086   6.086
  569   1HG   GLU  72          2HG       GLU  72  -3.815   5.197   5.197
  570   2HG   GLU  72          1HG       GLU  72  -3.864   6.912   6.912
  571    H    PHE  73           H        PHE  73  -1.315   6.055   6.055
  572    HA   PHE  73           HA       PHE  73   1.550   6.163   6.163
  573   1HB   PHE  73          2HB       PHE  73   0.537   7.717   7.717
  574   2HB   PHE  73          1HB       PHE  73  -0.730   6.598   6.598
  575    HD1  PHE  73           HD1      PHE  73   2.911   5.829   5.829
  576    HD2  PHE  73           HD2      PHE  73  -0.553   6.889   6.889
  577    HE1  PHE  73           HE1      PHE  73   4.124   5.288   5.288
  578    HE2  PHE  73           HE2      PHE  73   0.657   6.354   6.354
  579    HZ   PHE  73           HZ       PHE  73   2.999   5.550   5.550
  580    H    MET  74           H        MET  74  -0.615   4.156   4.156
  581    HA   MET  74           HA       MET  74   1.384   2.409   2.409
  582   1HB   MET  74          2HB       MET  74  -1.577   2.273   2.273
  583   2HB   MET  74          1HB       MET  74  -0.738   0.828   0.828
  584   1HG   MET  74          2HG       MET  74   0.002   3.230   3.230
  585   2HG   MET  74          1HG       MET  74  -1.715   2.844   2.844
  586   1HE   MET  74          1HE       MET  74  -2.737   0.966   0.966
  587   2HE   MET  74          3HE       MET  74  -2.120  -0.105  -0.105
  588   3HE   MET  74          2HE       MET  74  -1.965  -0.557  -0.557
  589    H    ALA  75           H        ALA  75  -0.382   2.418   2.418
  590    HA   ALA  75           HA       ALA  75   0.317  -0.218  -0.218
  591   1HB   ALA  75          1HB       ALA  75  -0.562   2.390   2.390
  592   2HB   ALA  75          3HB       ALA  75  -0.183   1.010   1.010
  593   3HB   ALA  75          2HB       ALA  75  -1.473   0.886   0.886
  594    H    PHE  76           H        PHE  76   1.655   2.943   2.943
  595    HA   PHE  76           HA       PHE  76   3.881   1.773   1.773
  596   1HB   PHE  76          2HB       PHE  76   2.885   3.879   3.879
  597   2HB   PHE  76          1HB       PHE  76   3.149   4.552   4.552
  598    HD1  PHE  76           HD2      PHE  76   4.925   3.236   3.236
  599    HD2  PHE  76           HD1      PHE  76   5.180   5.613   5.613
  600    HE1  PHE  76           HE2      PHE  76   7.135   4.095   4.095
  601    HE2  PHE  76           HE1      PHE  76   7.390   6.472   6.472
  602    HZ   PHE  76           HZ       PHE  76   8.366   5.714   5.714
  603    H    VAL  77           H        VAL  77   3.546   3.440   3.440
  604    HA   VAL  77           HA       VAL  77   6.235   3.572   3.572
  605    HB   VAL  77           HB       VAL  77   4.026   4.229   4.229
  606   1HG1  VAL  77          2HG1      VAL  77   4.414   1.410   1.410
  607   2HG1  VAL  77          1HG1      VAL  77   3.289   2.594   2.594
  608   3HG1  VAL  77          3HG1      VAL  77   3.057   1.975   1.975
  609   1HG2  VAL  77          1HG2      VAL  77   6.541   3.179   3.179
  610   2HG2  VAL  77          3HG2      VAL  77   5.969   4.843   4.843
  611   3HG2  VAL  77          2HG2      VAL  77   5.226   3.737   3.737
  612    H    ALA  78           H        ALA  78   4.000   0.822   0.822
  613    HA   ALA  78           HA       ALA  78   5.950  -1.049  -1.049
  614   1HB   ALA  78          2HB       ALA  78   3.205  -0.913  -0.913
  615   2HB   ALA  78          1HB       ALA  78   3.736  -2.130  -2.130
  616   3HB   ALA  78          3HB       ALA  78   4.076  -2.343  -2.343
  617    H    MET  79           H        MET  79   4.882  -0.116  -0.116
  618    HA   MET  79           HA       MET  79   6.209  -2.224  -2.224
  619   1HB   MET  79          2HB       MET  79   4.542  -0.150  -0.150
  620   2HB   MET  79          1HB       MET  79   6.067   0.510   0.510
  621   1HG   MET  79          2HG       MET  79   5.254  -2.290  -2.290
  622   2HG   MET  79          1HG       MET  79   4.599  -0.916  -0.916
  623   1HE   MET  79          1HE       MET  79   6.735  -3.401  -3.401
  624   2HE   MET  79          3HE       MET  79   7.608  -3.323  -3.323
  625   3HE   MET  79          2HE       MET  79   8.423  -2.895  -2.895
  626    H    ILE  80           H        ILE  80   7.239   0.937   0.937
  627    HA   ILE  80           HA       ILE  80   9.853   1.002   1.002
  628    HB   ILE  80           HB       ILE  80   8.767   2.080   2.080
  629   1HG1  ILE  80          2HG1      ILE  80   7.489   2.670   2.670
  630   2HG1  ILE  80          1HG1      ILE  80   8.224   4.061   4.061
  631   1HG2  ILE  80          1HG2      ILE  80  11.382   2.134   2.134
  632   2HG2  ILE  80          3HG2      ILE  80  10.712   3.753   3.753
  633   3HG2  ILE  80          2HG2      ILE  80  10.783   3.016   3.016
  634   1HD1  ILE  80          1HD1      ILE  80  10.099   2.893   2.893
  635   2HD1  ILE  80          3HD1      ILE  80   8.587   3.249   3.249
  636   3HD1  ILE  80          2HD1      ILE  80   9.448   4.531   4.531
  637    H    THR  81           H        THR  81   9.005   0.425   0.425
  638    HA   THR  81           HA       THR  81  11.404  -0.684  -0.684
  639    HB   THR  81           HB       THR  81   8.867  -1.882  -1.882
  640    HG1  THR  81           HG1      THR  81   7.881  -0.045  -0.045
  641   1HG2  THR  81          2HG2      THR  81  11.174  -1.830  -1.830
  642   2HG2  THR  81          1HG2      THR  81  10.859  -0.122  -0.122
  643   3HG2  THR  81          3HG2      THR  81   9.794  -1.344  -1.344
  644    H    THR  82           H        THR  82   8.725  -2.354  -2.354
  645    HA   THR  82           HA       THR  82   9.728  -5.028  -5.028
  646    HB   THR  82           HB       THR  82   8.354  -5.284  -5.284
  647    HG1  THR  82           HG1      THR  82   8.084  -3.332  -3.332
  648   1HG2  THR  82          1HG2      THR  82   7.632  -5.712  -5.712
  649   2HG2  THR  82          3HG2      THR  82   6.821  -4.148  -4.148
  650   3HG2  THR  82          2HG2      THR  82   6.368  -5.463  -5.463
  651    H    ALA  83           H        ALA  83  10.710  -2.399  -2.399
  652    HA   ALA  83           HA       ALA  83  12.084  -4.079  -4.079
  653   1HB   ALA  83          1HB       ALA  83  11.985  -1.123  -1.123
  654   2HB   ALA  83          3HB       ALA  83  12.910  -1.790  -1.790
  655   3HB   ALA  83          2HB       ALA  83  11.157  -1.976  -1.976
  656    H    CYS  84           H        CYS  84  12.998  -2.199  -2.199
  657    HA   CYS  84           HA       CYS  84  15.774  -2.102  -2.102
  658   1HB   CYS  84          2HB       CYS  84  13.772  -2.364  -2.364
  659   2HB   CYS  84          1HB       CYS  84  15.465  -2.609  -2.609
  660    HG   CYS  84           HG       CYS  84  14.432   0.036   0.036
  661    H    HIS  85           H        HIS  85  14.944  -4.392  -4.392
  662    HA   HIS  85           HA       HIS  85  15.725  -6.785  -6.785
  663   1HB   HIS  85          2HB       HIS  85  17.782  -5.202  -5.202
  664   2HB   HIS  85          1HB       HIS  85  17.628  -5.964  -5.964
  665    HD1  HIS  85           HD1      HIS  85  17.019  -7.645  -7.645
  666    HD2  HIS  85           HD2      HIS  85  19.718  -7.809  -7.809
  667    HE1  HIS  85           HE1      HIS  85  18.508  -9.649  -9.649
  668    H    GLU  86           H        GLU  86  16.079  -8.647  -8.647
  669    HA   GLU  86           HA       GLU  86  14.936  -9.912  -9.912
  670   1HB   GLU  86          2HB       GLU  86  15.673  -7.307  -7.307
  671   2HB   GLU  86          1HB       GLU  86  15.231  -8.791  -8.791
  672   1HG   GLU  86          2HG       GLU  86  17.309  -9.165  -9.165
  673   2HG   GLU  86          1HG       GLU  86  17.798  -8.115  -8.115
  674    H    PHE  87           H        PHE  87  12.856  -9.747  -9.747
  675    HA   PHE  87           HA       PHE  87  10.588  -9.212  -9.212
  676   1HB   PHE  87          2HB       PHE  87  11.235  -9.657  -9.657
  677   2HB   PHE  87          1HB       PHE  87  10.309  -8.146  -8.146
  678    HD1  PHE  87           HD2      PHE  87  10.271 -11.687 -11.687
  679    HD2  PHE  87           HD1      PHE  87   7.950  -8.085  -8.085
  680    HE1  PHE  87           HE2      PHE  87   8.207 -12.919 -12.919
  681    HE2  PHE  87           HE1      PHE  87   5.975  -9.258  -9.258
  682    HZ   PHE  87           HZ       PHE  87   6.047 -11.709 -11.709
  683    H    PHE  88           H        PHE  88  11.359  -6.654  -6.654
  684    HA   PHE  88           HA       PHE  88  10.466  -4.683  -4.683
  685   1HB   PHE  88          2HB       PHE  88  10.390  -4.941  -4.941
  686   2HB   PHE  88          1HB       PHE  88  10.418  -3.315  -3.315
  687    HD1  PHE  88           HD1      PHE  88   8.794  -6.543  -6.543
  688    HD2  PHE  88           HD2      PHE  88   8.289  -2.376  -2.376
  689    HE1  PHE  88           HE1      PHE  88   6.372  -6.722  -6.722
  690    HE2  PHE  88           HE2      PHE  88   5.876  -2.552  -2.552
  691    HZ   PHE  88           HZ       PHE  88   4.917  -4.727  -4.727
  692    H    GLU  89           H        GLU  89  12.174  -3.369  -3.369
  693    HA   GLU  89           HA       GLU  89  14.695  -3.201  -3.201
  694   1HB   GLU  89          2HB       GLU  89  13.496  -1.166  -1.166
  695   2HB   GLU  89          1HB       GLU  89  13.032  -1.036  -1.036
  696   1HG   GLU  89          2HG       GLU  89  15.334  -0.619  -0.619
  697   2HG   GLU  89          1HG       GLU  89  15.894  -0.910  -0.910
  698    H    HIS  90           H        HIS  90  13.271  -4.060  -4.060
  699    HA   HIS  90           HA       HIS  90  15.904  -4.017  -4.017
  700   1HB   HIS  90          2HB       HIS  90  13.483  -3.164  -3.164
  701   2HB   HIS  90          1HB       HIS  90  15.168  -2.706  -2.706
  702    HD1  HIS  90           HD1      HIS  90  15.741  -0.412  -0.412
  703    HD2  HIS  90           HD2      HIS  90  12.402  -1.918  -1.918
  704    HE1  HIS  90           HE1      HIS  90  14.911   1.443   1.443
  705    H    GLU  91           H        GLU  91  13.517  -5.866  -5.866
  706    HA   GLU  91           HA       GLU  91  12.380  -7.321  -7.321
  707   1HB   GLU  91          2HB       GLU  91  11.944  -7.555  -7.555
  708   2HB   GLU  91          1HB       GLU  91  13.491  -8.390  -8.390
  709   1HG   GLU  91          2HG       GLU  91  11.996  -9.577  -9.577
  710   2HG   GLU  91          1HG       GLU  91  10.988  -9.521  -9.521
  711   1H    MET   0          2H        MET   0   8.289  10.540  10.540
  712   2H    MET   0          1H        MET   0   8.952  11.991  11.991
  713   3H    MET   0          3H        MET   0   7.387  11.978  11.978
  714    HA   MET   0           HA       MET   0   6.449  11.338  11.338
  715   1HB   MET   0          2HB       MET   0   7.738  12.084  12.084
  716   2HB   MET   0          1HB       MET   0   8.177  13.111  13.111
  717   1HG   MET   0          2HG       MET   0  10.135  11.583  11.583
  718   2HG   MET   0          1HG       MET   0   9.738  10.747  10.747
  719   1HE   MET   0          1HE       MET   0  12.266  11.469  11.469
  720   2HE   MET   0          3HE       MET   0  12.951  12.678  12.678
  721   3HE   MET   0          2HE       MET   0  12.520  13.122  13.122
  722    H    SER   1           H        SER   1   9.655   9.804   9.804
  723    HA   SER   1           HA       SER   1   9.568   7.742   7.742
  724   1HB   SER   1          2HB       SER   1  10.899   6.499   6.499
  725   2HB   SER   1          1HB       SER   1  11.402   8.178   8.178
  726    HG   SER   1           HG       SER   1  10.881   7.139   7.139
  727    H    GLU   2           H        GLU   2   7.443   8.125   8.125
  728    HA   GLU   2           HA       GLU   2   6.501   5.784   5.784
  729   1HB   GLU   2          2HB       GLU   2   5.265   8.269   8.269
  730   2HB   GLU   2          1HB       GLU   2   4.150   6.908   6.908
  731   1HG   GLU   2          2HG       GLU   2   5.511   6.668   6.668
  732   2HG   GLU   2          1HG       GLU   2   5.496   8.420   8.420
  733    H    LEU   3           H        LEU   3   6.018   6.841   6.841
  734    HA   LEU   3           HA       LEU   3   4.473   4.488   4.488
  735   1HB   LEU   3          2HB       LEU   3   3.962   6.316   6.316
  736   2HB   LEU   3          1HB       LEU   3   5.593   6.962   6.962
  737    HG   LEU   3           HG       LEU   3   4.784   6.119   6.119
  738   1HD1  LEU   3          2HD1      LEU   3   7.292   6.159   6.159
  739   2HD1  LEU   3          1HD1      LEU   3   7.208   4.565   4.565
  740   3HD1  LEU   3          3HD1      LEU   3   6.968   6.013   6.013
  741   1HD2  LEU   3          2HD2      LEU   3   4.305   3.791   3.791
  742   2HD2  LEU   3          1HD2      LEU   3   4.097   3.989   3.989
  743   3HD2  LEU   3          3HD2      LEU   3   5.633   3.406   3.406
  744    H    GLU   4           H        GLU   4   7.876   5.544   5.544
  745    HA   GLU   4           HA       GLU   4   8.681   3.260   3.260
  746   1HB   GLU   4          2HB       GLU   4  10.237   5.009   5.009
  747   2HB   GLU   4          1HB       GLU   4   9.993   5.302   5.302
  748   1HG   GLU   4          2HG       GLU   4  12.224   4.243   4.243
  749   2HG   GLU   4          1HG       GLU   4  11.271   3.346   3.346
  750    H    LYS   5           H        LYS   5   8.845   3.914   3.914
  751    HA   LYS   5           HA       LYS   5   9.787   1.298   1.298
  752   1HB   LYS   5          2HB       LYS   5   8.122   3.191   3.191
  753   2HB   LYS   5          1HB       LYS   5   9.459   2.163   2.163
  754   1HG   LYS   5          2HG       LYS   5  10.613   3.786   3.786
  755   2HG   LYS   5          1HG       LYS   5   9.531   4.882   4.882
  756   1HD   LYS   5          2HD       LYS   5  11.583   4.970   4.970
  757   2HD   LYS   5          1HD       LYS   5  10.527   3.931   3.931
  758   1HE   LYS   5          2HE       LYS   5  11.865   2.116   2.116
  759   2HE   LYS   5          1HE       LYS   5  12.058   2.461   2.461
  760   1HZ   LYS   5          2HZ       LYS   5  13.391   4.491   4.491
  761   2HZ   LYS   5          1HZ       LYS   5  13.586   3.509   3.509
  762   3HZ   LYS   5          3HZ       LYS   5  14.142   2.973   2.973
  763    H    ALA   6           H        ALA   6   6.572   2.781   2.781
  764    HA   ALA   6           HA       ALA   6   5.063   0.547   0.547
  765   1HB   ALA   6          2HB       ALA   6   4.546   2.852   2.852
  766   2HB   ALA   6          1HB       ALA   6   3.287   1.673   1.673
  767   3HB   ALA   6          3HB       ALA   6   3.976   2.661   2.661
  768    H    VAL   7           H        VAL   7   6.420   1.424   1.424
  769    HA   VAL   7           HA       VAL   7   5.206  -0.630  -0.630
  770    HB   VAL   7           HB       VAL   7   7.114   1.487   1.487
  771   1HG1  VAL   7          3HG1      VAL   7   8.134  -1.190  -1.190
  772   2HG1  VAL   7          2HG1      VAL   7   8.641   0.322   0.322
  773   3HG1  VAL   7          1HG1      VAL   7   8.985   0.028   0.028
  774   1HG2  VAL   7          3HG2      VAL   7   5.310  -0.105  -0.105
  775   2HG2  VAL   7          2HG2      VAL   7   5.607   1.633   1.633
  776   3HG2  VAL   7          1HG2      VAL   7   6.696   0.554   0.554
  777    H    VAL   8           H        VAL   8   8.401  -0.491  -0.491
  778    HA   VAL   8           HA       VAL   8   9.413  -3.027  -3.027
  779    HB   VAL   8           HB       VAL   8   9.322  -1.402  -1.402
  780   1HG1  VAL   8          3HG1      VAL   8   9.902  -3.992  -3.992
  781   2HG1  VAL   8          2HG1      VAL   8  11.450  -3.437  -3.437
  782   3HG1  VAL   8          1HG1      VAL   8  10.855  -2.824  -2.824
  783   1HG2  VAL   8          3HG2      VAL   8  10.746  -1.189  -1.189
  784   2HG2  VAL   8          2HG2      VAL   8  10.801  -0.110  -0.110
  785   3HG2  VAL   8          1HG2      VAL   8  11.894  -1.493  -1.493
  786    H    ALA   9           H        ALA   9   6.931  -2.083  -2.083
  787    HA   ALA   9           HA       ALA   9   6.485  -4.602  -4.602
  788   1HB   ALA   9          3HB       ALA   9   5.623  -2.164  -2.164
  789   2HB   ALA   9          2HB       ALA   9   4.307  -2.621  -2.621
  790   3HB   ALA   9          1HB       ALA   9   4.575  -3.522  -3.522
  791    H    LEU  10           H        LEU  10   4.801  -3.128  -3.128
  792    HA   LEU  10           HA       LEU  10   3.064  -5.328  -5.328
  793   1HB   LEU  10          2HB       LEU  10   4.298  -3.253  -3.253
  794   2HB   LEU  10          1HB       LEU  10   2.920  -4.271  -4.271
  795    HG   LEU  10           HG       LEU  10   2.537  -2.955  -2.955
  796   1HD1  LEU  10          2HD1      LEU  10   3.607  -1.377  -1.377
  797   2HD1  LEU  10          1HD1      LEU  10   2.075  -0.765  -0.765
  798   3HD1  LEU  10          3HD1      LEU  10   3.454  -0.950  -0.950
  799   1HD2  LEU  10          2HD2      LEU  10   1.041  -2.861  -2.861
  800   2HD2  LEU  10          1HD2      LEU  10   0.758  -4.020  -4.020
  801   3HD2  LEU  10          3HD2      LEU  10   0.409  -2.310  -2.310
  802    H    ILE  11           H        ILE  11   6.271  -4.544  -4.544
  803    HA   ILE  11           HA       ILE  11   6.523  -6.640  -6.640
  804    HB   ILE  11           HB       ILE  11   8.769  -6.102  -6.102
  805   1HG1  ILE  11          2HG1      ILE  11  10.015  -5.616  -5.616
  806   2HG1  ILE  11          1HG1      ILE  11   8.593  -6.300  -6.300
  807   1HG2  ILE  11          3HG2      ILE  11   7.346  -3.947  -3.947
  808   2HG2  ILE  11          2HG2      ILE  11   8.146  -3.958  -3.958
  809   3HG2  ILE  11          1HG2      ILE  11   9.104  -3.846  -3.846
  810   1HD1  ILE  11          1HD1      ILE  11   9.686  -7.869  -7.869
  811   2HD1  ILE  11          3HD1      ILE  11  10.697  -7.797  -7.797
  812   3HD1  ILE  11          2HD1      ILE  11   9.054  -8.422  -8.422
  813    H    ASP  12           H        ASP  12   6.816  -6.675  -6.675
  814    HA   ASP  12           HA       ASP  12   7.580  -9.450  -9.450
  815   1HB   ASP  12          2HB       ASP  12   7.095  -7.113  -7.113
  816   2HB   ASP  12          1HB       ASP  12   6.075  -8.402  -8.402
  817    H    VAL  13           H        VAL  13   4.527  -7.660  -7.660
  818    HA   VAL  13           HA       VAL  13   2.749  -9.778  -9.778
  819    HB   VAL  13           HB       VAL  13   2.522  -7.318  -7.318
  820   1HG1  VAL  13          3HG1      VAL  13   0.877  -9.264  -9.264
  821   2HG1  VAL  13          2HG1      VAL  13   0.170  -8.879  -8.879
  822   3HG1  VAL  13          1HG1      VAL  13   0.206  -7.661  -7.661
  823   1HG2  VAL  13          2HG2      VAL  13   2.531  -7.786  -7.786
  824   2HG2  VAL  13          1HG2      VAL  13   2.211  -6.269  -6.269
  825   3HG2  VAL  13          3HG2      VAL  13   0.880  -7.358  -7.358
  826    H    PHE  14           H        PHE  14   3.756  -8.659  -8.659
  827    HA   PHE  14           HA       PHE  14   2.477 -10.633 -10.633
  828   1HB   PHE  14          2HB       PHE  14   4.892  -8.931  -8.931
  829   2HB   PHE  14          1HB       PHE  14   5.017 -10.519 -10.519
  830    HD1  PHE  14           HD2      PHE  14   3.060 -11.405 -11.405
  831    HD2  PHE  14           HD1      PHE  14   3.531  -7.259  -7.259
  832    HE1  PHE  14           HE2      PHE  14   1.510 -10.789 -10.789
  833    HE2  PHE  14           HE1      PHE  14   1.961  -6.639  -6.639
  834    HZ   PHE  14           HZ       PHE  14   0.943  -8.402  -8.402
  835    H    HIS  15           H        HIS  15   5.759 -10.847 -10.847
  836    HA   HIS  15           HA       HIS  15   6.575 -13.391 -13.391
  837   1HB   HIS  15          2HB       HIS  15   8.102 -12.625 -12.625
  838   2HB   HIS  15          1HB       HIS  15   6.951 -11.442 -11.442
  839    HD1  HIS  15           HD1      HIS  15   7.236 -11.680 -11.680
  840    HD2  HIS  15           HD2      HIS  15   6.706 -15.374 -15.374
  841    HE1  HIS  15           HE1      HIS  15   7.042 -13.392 -13.392
  842    H    GLN  16           H        GLN  16   4.356 -12.613 -12.613
  843    HA   GLN  16           HA       GLN  16   3.707 -15.378 -15.378
  844   1HB   GLN  16          2HB       GLN  16   2.206 -12.784 -12.784
  845   2HB   GLN  16          1HB       GLN  16   1.999 -14.313 -14.313
  846   1HG   GLN  16          2HG       GLN  16   4.101 -14.161 -14.161
  847   2HG   GLN  16          1HG       GLN  16   4.706 -13.007 -13.007
  848   1HE2  GLN  16          2HE2      GLN  16   2.282 -11.639 -11.639
  849   2HE2  GLN  16          1HE2      GLN  16   2.236 -13.282 -13.282
  850    H    TYR  17           H        TYR  17   1.569 -12.802 -12.802
  851    HA   TYR  17           HA       TYR  17  -0.559 -14.177 -14.177
  852   1HB   TYR  17          2HB       TYR  17   0.972 -11.725 -11.725
  853   2HB   TYR  17          1HB       TYR  17  -0.324 -12.251 -12.251
  854    HD1  TYR  17           HD2      TYR  17  -2.652 -12.423 -12.423
  855    HD2  TYR  17           HD1      TYR  17   0.508 -10.961 -10.961
  856    HE1  TYR  17           HE2      TYR  17  -4.340 -11.545 -11.545
  857    HE2  TYR  17           HE1      TYR  17  -1.174 -10.055 -10.055
  858    HH   TYR  17           HH       TYR  17  -4.086 -10.974 -10.974
  859    H    SER  18           H        SER  18   1.982 -13.160 -13.160
  860    HA   SER  18           HA       SER  18   1.186 -15.130 -15.130
  861   1HB   SER  18          2HB       SER  18   3.407 -13.157 -13.157
  862   2HB   SER  18          1HB       SER  18   3.552 -14.338 -14.338
  863    HG   SER  18           HG       SER  18   1.388 -12.545 -12.545
  864    H    GLY  19           H        GLY  19   2.789 -15.644 -15.644
  865   1HA   GLY  19          2HA       GLY  19   3.929 -18.169 -18.169
  866   2HA   GLY  19          1HA       GLY  19   5.046 -17.075 -17.075
  867    H    ARG  20           H        ARG  20   1.653 -17.862 -17.862
  868    HA   ARG  20           HA       ARG  20   2.696 -18.900 -18.900
  869   1HB   ARG  20          2HB       ARG  20   0.629 -17.919 -17.919
  870   2HB   ARG  20          1HB       ARG  20   1.616 -16.693 -16.693
  871   1HG   ARG  20          2HG       ARG  20   0.200 -16.729 -16.729
  872   2HG   ARG  20          1HG       ARG  20  -0.690 -18.124 -18.124
  873   1HD   ARG  20          2HD       ARG  20  -0.669 -15.922 -15.922
  874   2HD   ARG  20          1HD       ARG  20  -1.418 -15.465 -15.465
  875    HE   ARG  20           HE       ARG  20  -2.321 -17.684 -17.684
  876   1HH1  ARG  20          1HH2      ARG  20  -3.341 -15.145 -15.145
  877   2HH1  ARG  20          2HH2      ARG  20  -4.579 -16.008 -16.008
  878   1HH2  ARG  20          2HH1      ARG  20  -3.593 -19.117 -19.117
  879   2HH2  ARG  20          1HH1      ARG  20  -4.724 -18.256 -18.256
  880    H    GLU  21           H        GLU  21   1.263 -19.815 -19.815
  881    HA   GLU  21           HA       GLU  21  -0.062 -22.148 -22.148
  882   1HB   GLU  21          2HB       GLU  21  -1.813 -20.535 -20.535
  883   2HB   GLU  21          1HB       GLU  21  -1.200 -20.277 -20.277
  884   1HG   GLU  21          2HG       GLU  21  -2.900 -21.786 -21.786
  885   2HG   GLU  21          1HG       GLU  21  -1.561 -22.903 -22.903
  886    H    GLY  22           H        GLY  22   0.027 -21.041 -21.041
  887   1HA   GLY  22          2HA       GLY  22   2.075 -23.040 -23.040
  888   2HA   GLY  22          1HA       GLY  22   0.467 -23.339 -23.339
  889    H    ASP  23           H        ASP  23   2.587 -20.471 -20.471
  890    HA   ASP  23           HA       ASP  23   2.466 -20.025 -20.025
  891   1HB   ASP  23          2HB       ASP  23   1.503 -18.021 -18.021
  892   2HB   ASP  23          1HB       ASP  23   1.537 -17.774 -17.774
  893    H    LYS  24           H        LYS  24   3.731 -17.773 -17.773
  894    HA   LYS  24           HA       LYS  24   6.180 -17.902 -17.902
  895   1HB   LYS  24          2HB       LYS  24   5.628 -17.684 -17.684
  896   2HB   LYS  24          1HB       LYS  24   6.993 -16.744 -16.744
  897   1HG   LYS  24          2HG       LYS  24   6.629 -19.672 -19.672
  898   2HG   LYS  24          1HG       LYS  24   7.523 -19.132 -19.132
  899   1HD   LYS  24          2HD       LYS  24   8.926 -17.698 -17.698
  900   2HD   LYS  24          1HD       LYS  24   8.151 -18.542 -18.542
  901   1HE   LYS  24          2HE       LYS  24   9.358 -20.452 -20.452
  902   2HE   LYS  24          1HE       LYS  24   9.229 -20.316 -20.316
  903   1HZ   LYS  24          1HZ       LYS  24  10.745 -18.323 -18.323
  904   2HZ   LYS  24          3HZ       LYS  24  11.060 -18.855 -18.855
  905   3HZ   LYS  24          2HZ       LYS  24  11.464 -19.840 -19.840
  906    H    HIS  25           H        HIS  25   5.573 -15.397 -15.397
  907    HA   HIS  25           HA       HIS  25   5.090 -13.429 -13.429
  908   1HB   HIS  25          2HB       HIS  25   6.695 -12.772 -12.772
  909   2HB   HIS  25          1HB       HIS  25   6.790 -12.053 -12.053
  910    HD1  HIS  25           HD1      HIS  25   9.059 -13.636 -13.636
  911    HD2  HIS  25           HD2      HIS  25   7.328 -14.854 -14.854
  912    HE1  HIS  25           HE1      HIS  25  10.649 -15.318 -15.318
  913    H    LYS  26           H        LYS  26   2.879 -14.289 -14.289
  914    HA   LYS  26           HA       LYS  26   2.015 -11.977 -11.977
  915   1HB   LYS  26          2HB       LYS  26   2.915 -13.778 -13.778
  916   2HB   LYS  26          1HB       LYS  26   1.636 -14.838 -14.838
  917   1HG   LYS  26          2HG       LYS  26   0.704 -12.169 -12.169
  918   2HG   LYS  26          1HG       LYS  26   1.365 -13.155 -13.155
  919   1HD   LYS  26          2HD       LYS  26  -0.101 -15.061 -15.061
  920   2HD   LYS  26          1HD       LYS  26  -0.936 -13.801 -13.801
  921   1HE   LYS  26          2HE       LYS  26  -1.702 -12.725 -12.725
  922   2HE   LYS  26          1HE       LYS  26  -0.534 -13.588 -13.588
  923   1HZ   LYS  26          3HZ       LYS  26  -1.618 -15.679 -15.679
  924   2HZ   LYS  26          2HZ       LYS  26  -2.801 -14.782 -14.782
  925   3HZ   LYS  26          1HZ       LYS  26  -2.663 -14.658 -14.658
  926    H    LEU  27           H        LEU  27  -0.312 -11.728 -11.728
  927    HA   LEU  27           HA       LEU  27  -1.615 -13.523 -13.523
  928   1HB   LEU  27          2HB       LEU  27  -1.094 -10.737 -10.737
  929   2HB   LEU  27          1HB       LEU  27  -2.835 -10.916 -10.916
  930    HG   LEU  27           HG       LEU  27  -1.883 -12.791 -12.791
  931   1HD1  LEU  27          2HD1      LEU  27  -1.011  -9.932  -9.932
  932   2HD1  LEU  27          1HD1      LEU  27  -1.528 -10.780 -10.780
  933   3HD1  LEU  27          3HD1      LEU  27  -0.174 -11.399 -11.399
  934   1HD2  LEU  27          3HD2      LEU  27  -4.225 -11.965 -11.965
  935   2HD2  LEU  27          2HD2      LEU  27  -3.682 -11.796 -11.796
  936   3HD2  LEU  27          1HD2      LEU  27  -3.719 -10.388 -10.388
  937    H    LYS  28           H        LYS  28  -3.866 -13.999 -13.999
  938    HA   LYS  28           HA       LYS  28  -4.751 -13.518 -13.518
  939   1HB   LYS  28          2HB       LYS  28  -5.163 -15.811 -15.811
  940   2HB   LYS  28          1HB       LYS  28  -5.993 -15.695 -15.695
  941   1HG   LYS  28          2HG       LYS  28  -4.112 -16.196 -16.196
  942   2HG   LYS  28          1HG       LYS  28  -3.054 -15.321 -15.321
  943   1HD   LYS  28          2HD       LYS  28  -2.612 -17.740 -17.740
  944   2HD   LYS  28          1HD       LYS  28  -3.271 -17.155 -17.155
  945   1HE   LYS  28          2HE       LYS  28  -5.593 -17.813 -17.813
  946   2HE   LYS  28          1HE       LYS  28  -4.576 -18.882 -18.882
  947   1HZ   LYS  28          1HZ       LYS  28  -4.383 -18.694 -18.694
  948   2HZ   LYS  28          3HZ       LYS  28  -5.301 -19.873 -19.873
  949   3HZ   LYS  28          2HZ       LYS  28  -3.615 -19.824 -19.824
  950    H    LYS  29           H        LYS  29  -7.182 -13.467 -13.467
  951    HA   LYS  29           HA       LYS  29  -8.456 -11.470 -11.470
  952   1HB   LYS  29          2HB       LYS  29  -9.221 -13.765 -13.765
  953   2HB   LYS  29          1HB       LYS  29 -10.520 -13.144 -13.144
  954   1HG   LYS  29          2HG       LYS  29 -10.552 -11.088 -11.088
  955   2HG   LYS  29          1HG       LYS  29  -8.840 -11.159 -11.159
  956   1HD   LYS  29          2HD       LYS  29  -9.906 -11.468 -11.468
  957   2HD   LYS  29          1HD       LYS  29  -9.536 -13.116 -13.116
  958   1HE   LYS  29          2HE       LYS  29 -11.899 -13.116 -13.116
  959   2HE   LYS  29          1HE       LYS  29 -12.203 -11.694 -11.694
  960   1HZ   LYS  29          1HZ       LYS  29 -10.974 -13.285 -13.285
  961   2HZ   LYS  29          3HZ       LYS  29 -11.733 -14.461 -14.461
  962   3HZ   LYS  29          2HZ       LYS  29 -12.662 -13.262 -13.262
  963    H    SER  30           H        SER  30  -8.566 -14.981 -14.981
  964    HA   SER  30           HA       SER  30 -10.277 -14.735 -14.735
  965   1HB   SER  30          2HB       SER  30  -8.816 -16.739 -16.739
  966   2HB   SER  30          1HB       SER  30  -8.662 -17.033 -17.033
  967    HG   SER  30           HG       SER  30 -10.892 -17.107 -17.107
  968    H    GLU  31           H        GLU  31  -6.724 -15.167 -15.167
  969    HA   GLU  31           HA       GLU  31  -6.106 -15.095 -15.095
  970   1HB   GLU  31          2HB       GLU  31  -4.791 -14.951 -14.951
  971   2HB   GLU  31          1HB       GLU  31  -4.036 -13.821 -13.821
  972   1HG   GLU  31          2HG       GLU  31  -3.675 -15.582 -15.582
  973   2HG   GLU  31          1HG       GLU  31  -4.598 -16.726 -16.726
  974    H    LEU  32           H        LEU  32  -6.418 -12.475 -12.475
  975    HA   LEU  32           HA       LEU  32  -5.638 -10.271 -10.271
  976   1HB   LEU  32          2HB       LEU  32  -6.845 -10.813 -10.813
  977   2HB   LEU  32          1HB       LEU  32  -8.002  -9.780  -9.780
  978    HG   LEU  32           HG       LEU  32  -5.086  -9.184  -9.184
  979   1HD1  LEU  32          1HD1      LEU  32  -7.069  -8.811  -8.811
  980   2HD1  LEU  32          3HD1      LEU  32  -7.440  -7.436  -7.436
  981   3HD1  LEU  32          2HD1      LEU  32  -5.874  -7.535  -7.535
  982   1HD2  LEU  32          2HD2      LEU  32  -7.090  -7.668  -7.668
  983   2HD2  LEU  32          1HD2      LEU  32  -5.603  -8.429  -8.429
  984   3HD2  LEU  32          3HD2      LEU  32  -5.526  -7.032  -7.032
  985    H    LYS  33           H        LYS  33  -8.950 -11.614 -11.614
  986    HA   LYS  33           HA       LYS  33 -10.376 -10.010 -10.010
  987   1HB   LYS  33          2HB       LYS  33 -11.122 -12.007 -12.007
  988   2HB   LYS  33          1HB       LYS  33 -10.582 -13.034 -13.034
  989   1HG   LYS  33          2HG       LYS  33 -12.982 -12.575 -12.575
  990   2HG   LYS  33          1HG       LYS  33 -12.098 -11.805 -11.805
  991   1HD   LYS  33          2HD       LYS  33 -12.160  -9.656  -9.656
  992   2HD   LYS  33          1HD       LYS  33 -12.960 -10.408 -10.408
  993   1HE   LYS  33          2HE       LYS  33 -14.340 -10.938 -10.938
  994   2HE   LYS  33          1HE       LYS  33 -14.279  -9.214  -9.214
  995   1HZ   LYS  33          3HZ       LYS  33 -15.086 -11.402 -11.402
  996   2HZ   LYS  33          2HZ       LYS  33 -16.157 -10.335 -10.335
  997   3HZ   LYS  33          1HZ       LYS  33 -15.049  -9.748  -9.748
  998    H    GLU  34           H        GLU  34  -8.747 -13.078 -13.078
  999    HA   GLU  34           HA       GLU  34  -9.016 -12.964 -12.964
 1000   1HB   GLU  34          2HB       GLU  34  -7.513 -14.359 -14.359
 1001   2HB   GLU  34          1HB       GLU  34  -6.271 -13.526 -13.526
 1002   1HG   GLU  34          2HG       GLU  34  -6.506 -15.251 -15.251
 1003   2HG   GLU  34          1HG       GLU  34  -7.986 -14.431 -14.431
 1004    H    LEU  35           H        LEU  35  -6.665 -11.282 -11.282
 1005    HA   LEU  35           HA       LEU  35  -5.088 -10.018 -10.018
 1006   1HB   LEU  35          2HB       LEU  35  -5.246 -10.103 -10.103
 1007   2HB   LEU  35          1HB       LEU  35  -5.917  -8.493  -8.493
 1008    HG   LEU  35           HG       LEU  35  -3.544  -9.061  -9.061
 1009   1HD1  LEU  35          2HD1      LEU  35  -3.429  -9.956  -9.956
 1010   2HD1  LEU  35          1HD1      LEU  35  -2.632  -8.382  -8.382
 1011   3HD1  LEU  35          3HD1      LEU  35  -2.062  -9.655  -9.655
 1012   1HD2  LEU  35          2HD2      LEU  35  -4.944  -6.884  -6.884
 1013   2HD2  LEU  35          1HD2      LEU  35  -3.219  -6.812  -6.812
 1014   3HD2  LEU  35          3HD2      LEU  35  -3.775  -6.837  -6.837
 1015    H    ILE  36           H        ILE  36  -8.270  -9.018  -9.018
 1016    HA   ILE  36           HA       ILE  36  -8.201  -6.653  -6.653
 1017    HB   ILE  36           HB       ILE  36 -10.774  -7.048  -7.048
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.566  -8.488  -8.488
 1019   2HG1  ILE  36          1HG1      ILE  36 -10.160  -6.997  -6.997
 1020   1HG2  ILE  36          2HG2      ILE  36  -8.496  -5.114  -5.114
 1021   2HG2  ILE  36          1HG2      ILE  36 -10.082  -4.928  -4.928
 1022   3HG2  ILE  36          3HG2      ILE  36  -9.929  -4.895  -4.895
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.437  -6.869  -6.869
 1024   2HD1  ILE  36          2HD1      ILE  36  -7.613  -7.841  -7.841
 1025   3HD1  ILE  36          1HD1      ILE  36  -8.070  -6.139  -6.139
 1026    H    ASN  37           H        ASN  37 -10.249  -9.516  -9.516
 1027    HA   ASN  37           HA       ASN  37 -12.046  -9.289  -9.289
 1028   1HB   ASN  37          2HB       ASN  37 -10.758 -11.537 -11.537
 1029   2HB   ASN  37          1HB       ASN  37 -11.852 -11.874 -11.874
 1030   1HD2  ASN  37          2HD2      ASN  37 -14.464 -11.705 -11.705
 1031   2HD2  ASN  37          1HD2      ASN  37 -13.594 -12.696 -12.696
 1032    H    ASN  38           H        ASN  38  -8.669 -10.401 -10.401
 1033    HA   ASN  38           HA       ASN  38  -9.003 -11.204 -11.204
 1034   1HB   ASN  38          2HB       ASN  38  -6.895 -11.358 -11.358
 1035   2HB   ASN  38          1HB       ASN  38  -6.403 -11.519 -11.519
 1036   1HD2  ASN  38          2HD2      ASN  38  -7.438 -14.881 -14.881
 1037   2HD2  ASN  38          1HD2      ASN  38  -6.399 -13.672 -13.672
 1038    H    GLU  39           H        GLU  39  -6.813  -9.019  -9.019
 1039    HA   GLU  39           HA       GLU  39  -5.924  -7.535  -7.535
 1040   1HB   GLU  39          2HB       GLU  39  -5.988  -6.653  -6.653
 1041   2HB   GLU  39          1HB       GLU  39  -4.789  -6.251  -6.251
 1042   1HG   GLU  39          2HG       GLU  39  -4.922  -9.097  -9.097
 1043   2HG   GLU  39          1HG       GLU  39  -4.778  -8.462  -8.462
 1044    H    LEU  40           H        LEU  40  -8.269  -6.845  -6.845
 1045    HA   LEU  40           HA       LEU  40  -9.347  -4.561  -4.561
 1046   1HB   LEU  40          2HB       LEU  40  -9.467  -5.446  -5.446
 1047   2HB   LEU  40          1HB       LEU  40 -10.512  -4.167  -4.167
 1048    HG   LEU  40           HG       LEU  40  -8.249  -3.201  -3.201
 1049   1HD1  LEU  40          2HD1      LEU  40  -7.285  -5.467  -5.467
 1050   2HD1  LEU  40          1HD1      LEU  40  -6.982  -4.205  -4.205
 1051   3HD1  LEU  40          3HD1      LEU  40  -6.317  -4.057  -4.057
 1052   1HD2  LEU  40          1HD2      LEU  40  -9.863  -2.657  -2.657
 1053   2HD2  LEU  40          3HD2      LEU  40  -8.543  -1.634  -1.634
 1054   3HD2  LEU  40          2HD2      LEU  40  -8.263  -2.799  -2.799
 1055    H    SER  41           H        SER  41 -10.043  -6.932  -6.932
 1056    HA   SER  41           HA       SER  41 -12.065  -8.583  -8.583
 1057   1HB   SER  41          2HB       SER  41 -11.016  -7.463  -7.463
 1058   2HB   SER  41          1HB       SER  41 -12.766  -7.315  -7.315
 1059    HG   SER  41           HG       SER  41 -11.464  -9.696  -9.696
 1060    H    HIS  42           H        HIS  42 -12.484  -5.098  -5.098
 1061    HA   HIS  42           HA       HIS  42 -15.228  -4.797  -4.797
 1062   1HB   HIS  42          2HB       HIS  42 -13.144  -3.179  -3.179
 1063   2HB   HIS  42          1HB       HIS  42 -13.866  -3.215  -3.215
 1064    HD1  HIS  42           HD1      HIS  42 -14.676  -2.274  -2.274
 1065    HD2  HIS  42           HD2      HIS  42 -16.282  -1.804  -1.804
 1066    HE1  HIS  42           HE1      HIS  42 -16.598  -0.641  -0.641
 1067    H    PHE  43           H        PHE  43 -13.449  -5.921  -5.921
 1068    HA   PHE  43           HA       PHE  43 -15.823  -5.828  -5.828
 1069   1HB   PHE  43          2HB       PHE  43 -12.957  -6.703  -6.703
 1070   2HB   PHE  43          1HB       PHE  43 -14.115  -7.188  -7.188
 1071    HD1  PHE  43           HD2      PHE  43 -15.699  -5.276  -5.276
 1072    HD2  PHE  43           HD1      PHE  43 -11.927  -4.627  -4.627
 1073    HE1  PHE  43           HE2      PHE  43 -15.589  -2.998  -2.998
 1074    HE2  PHE  43           HE1      PHE  43 -11.818  -2.345  -2.345
 1075    HZ   PHE  43           HZ       PHE  43 -13.649  -1.533  -1.533
 1076    H    LEU  44           H        LEU  44 -14.391  -8.092  -8.092
 1077    HA   LEU  44           HA       LEU  44 -15.214 -10.593 -10.593
 1078   1HB   LEU  44          2HB       LEU  44 -14.118  -9.731  -9.731
 1079   2HB   LEU  44          1HB       LEU  44 -15.782  -9.798  -9.798
 1080    HG   LEU  44           HG       LEU  44 -15.844 -12.177 -12.177
 1081   1HD1  LEU  44          1HD1      LEU  44 -13.226 -11.333 -11.333
 1082   2HD1  LEU  44          3HD1      LEU  44 -13.057 -12.673 -12.673
 1083   3HD1  LEU  44          2HD1      LEU  44 -14.021 -12.874 -12.874
 1084   1HD2  LEU  44          1HD2      LEU  44 -14.344 -11.222 -11.222
 1085   2HD2  LEU  44          3HD2      LEU  44 -15.818 -12.185 -12.185
 1086   3HD2  LEU  44          2HD2      LEU  44 -14.253 -12.938 -12.938
 1087    H    GLU  45           H        GLU  45 -16.969  -7.922  -7.922
 1088    HA   GLU  45           HA       GLU  45 -19.599  -9.269  -9.269
 1089   1HB   GLU  45          2HB       GLU  45 -18.326  -6.749  -6.749
 1090   2HB   GLU  45          1HB       GLU  45 -20.062  -6.700  -6.700
 1091   1HG   GLU  45          2HG       GLU  45 -19.106  -9.067  -9.067
 1092   2HG   GLU  45          1HG       GLU  45 -19.029  -7.527  -7.527
 1093    H    GLU  46           H        GLU  46 -17.682  -6.881  -6.881
 1094    HA   GLU  46           HA       GLU  46 -17.968  -5.912  -5.912
 1095   1HB   GLU  46          2HB       GLU  46 -18.417  -8.377  -8.377
 1096   2HB   GLU  46          1HB       GLU  46 -20.137  -8.009  -8.009
 1097   1HG   GLU  46          2HG       GLU  46 -20.126  -6.664  -6.664
 1098   2HG   GLU  46          1HG       GLU  46 -18.371  -6.490  -6.490
 1099    H    ILE  47           H        ILE  47 -21.307  -6.943  -6.943
 1100    HA   ILE  47           HA       ILE  47 -22.835  -4.912  -4.912
 1101    HB   ILE  47           HB       ILE  47 -23.465  -6.934  -6.934
 1102   1HG1  ILE  47          2HG1      ILE  47 -25.410  -5.830  -5.830
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.646  -4.265  -4.265
 1104   1HG2  ILE  47          1HG2      ILE  47 -22.660  -5.038  -5.038
 1105   2HG2  ILE  47          3HG2      ILE  47 -23.558  -6.537  -6.537
 1106   3HG2  ILE  47          2HG2      ILE  47 -21.912  -6.587  -6.587
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.652  -5.745  -5.745
 1108   2HD1  ILE  47          3HD1      ILE  47 -26.286  -5.738  -5.738
 1109   3HD1  ILE  47          2HD1      ILE  47 -25.451  -4.214  -4.214
 1110    H    LYS  48           H        LYS  48 -20.658  -4.696  -4.696
 1111    HA   LYS  48           HA       LYS  48 -21.494  -2.405  -2.405
 1112   1HB   LYS  48          2HB       LYS  48 -18.664  -3.138  -3.138
 1113   2HB   LYS  48          1HB       LYS  48 -19.120  -2.175  -2.175
 1114   1HG   LYS  48          2HG       LYS  48 -20.320  -4.902  -4.902
 1115   2HG   LYS  48          1HG       LYS  48 -18.631  -4.788  -4.788
 1116   1HD   LYS  48          2HD       LYS  48 -19.773  -2.876  -2.876
 1117   2HD   LYS  48          1HD       LYS  48 -21.075  -4.062  -4.062
 1118   1HE   LYS  48          2HE       LYS  48 -19.988  -5.331  -5.331
 1119   2HE   LYS  48          1HE       LYS  48 -18.645  -5.516  -5.516
 1120   1HZ   LYS  48          1HZ       LYS  48 -18.023  -3.161  -3.161
 1121   2HZ   LYS  48          3HZ       LYS  48 -19.037  -3.420  -3.420
 1122   3HZ   LYS  48          2HZ       LYS  48 -17.686  -4.422  -4.422
 1123    H    GLU  49           H        GLU  49 -20.320  -2.681  -2.681
 1124    HA   GLU  49           HA       GLU  49 -20.725   0.219   0.219
 1125   1HB   GLU  49          2HB       GLU  49 -18.399   0.218   0.218
 1126   2HB   GLU  49          1HB       GLU  49 -18.438   0.226   0.226
 1127   1HG   GLU  49          2HG       GLU  49 -18.241  -2.290  -2.290
 1128   2HG   GLU  49          1HG       GLU  49 -17.971  -2.160  -2.160
 1129    H    GLN  50           H        GLN  50 -22.371  -0.283  -0.283
 1130    HA   GLN  50           HA       GLN  50 -22.099  -2.315  -2.315
 1131   1HB   GLN  50          2HB       GLN  50 -24.200  -1.344  -1.344
 1132   2HB   GLN  50          1HB       GLN  50 -24.229  -1.438  -1.438
 1133   1HG   GLN  50          2HG       GLN  50 -23.453   0.952   0.952
 1134   2HG   GLN  50          1HG       GLN  50 -23.643   1.015   1.015
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.145   0.286   0.286
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.754  -0.599  -0.599
 1137    H    GLU  51           H        GLU  51 -21.787   1.268   1.268
 1138    HA   GLU  51           HA       GLU  51 -21.270   1.511   1.511
 1139   1HB   GLU  51          2HB       GLU  51 -21.796   3.365   3.365
 1140   2HB   GLU  51          1HB       GLU  51 -20.237   3.136   3.136
 1141   1HG   GLU  51          2HG       GLU  51 -19.380   3.348   3.348
 1142   2HG   GLU  51          1HG       GLU  51 -20.848   4.321   4.321
 1143    H    VAL  52           H        VAL  52 -19.169   0.670   0.670
 1144    HA   VAL  52           HA       VAL  52 -16.690   0.847   0.847
 1145    HB   VAL  52           HB       VAL  52 -17.345  -0.619  -0.619
 1146   1HG1  VAL  52          2HG1      VAL  52 -14.938  -0.275  -0.275
 1147   2HG1  VAL  52          1HG1      VAL  52 -14.756   0.531   0.531
 1148   3HG1  VAL  52          3HG1      VAL  52 -15.164  -1.183  -1.183
 1149   1HG2  VAL  52          3HG2      VAL  52 -16.544   2.258   2.258
 1150   2HG2  VAL  52          2HG2      VAL  52 -18.043   1.695   1.695
 1151   3HG2  VAL  52          1HG2      VAL  52 -16.513   1.508   1.508
 1152    H    VAL  53           H        VAL  53 -19.074  -1.620  -1.620
 1153    HA   VAL  53           HA       VAL  53 -17.632  -3.921  -3.921
 1154    HB   VAL  53           HB       VAL  53 -20.583  -3.191  -3.191
 1155   1HG1  VAL  53          2HG1      VAL  53 -19.927  -5.075  -5.075
 1156   2HG1  VAL  53          1HG1      VAL  53 -19.414  -5.973  -5.973
 1157   3HG1  VAL  53          3HG1      VAL  53 -21.101  -5.490  -5.490
 1158   1HG2  VAL  53          2HG2      VAL  53 -18.876  -3.500  -3.500
 1159   2HG2  VAL  53          1HG2      VAL  53 -20.577  -3.956  -3.956
 1160   3HG2  VAL  53          3HG2      VAL  53 -19.350  -5.179  -5.179
 1161    H    ASP  54           H        ASP  54 -19.479  -1.354  -1.354
 1162    HA   ASP  54           HA       ASP  54 -19.692  -2.479  -2.479
 1163   1HB   ASP  54          2HB       ASP  54 -21.119  -0.680  -0.680
 1164   2HB   ASP  54          1HB       ASP  54 -19.850   0.226   0.226
 1165    H    LYS  55           H        LYS  55 -17.357  -0.331  -0.331
 1166    HA   LYS  55           HA       LYS  55 -15.580  -0.174  -0.174
 1167   1HB   LYS  55          2HB       LYS  55 -15.514   0.611   0.611
 1168   2HB   LYS  55          1HB       LYS  55 -14.081   0.789   0.789
 1169   1HG   LYS  55          2HG       LYS  55 -15.080   2.862   2.862
 1170   2HG   LYS  55          1HG       LYS  55 -15.778   1.960   1.960
 1171   1HD   LYS  55          2HD       LYS  55 -17.746   1.421   1.421
 1172   2HD   LYS  55          1HD       LYS  55 -17.065   2.451   2.451
 1173   1HE   LYS  55          2HE       LYS  55 -17.885   3.322   3.322
 1174   2HE   LYS  55          1HE       LYS  55 -18.663   3.782   3.782
 1175   1HZ   LYS  55          2HZ       LYS  55 -16.256   4.468   4.468
 1176   2HZ   LYS  55          1HZ       LYS  55 -16.019   4.551   4.551
 1177   3HZ   LYS  55          3HZ       LYS  55 -17.201   5.520   5.520
 1178    H    VAL  56           H        VAL  56 -15.005  -1.429  -1.429
 1179    HA   VAL  56           HA       VAL  56 -12.752  -2.932  -2.932
 1180    HB   VAL  56           HB       VAL  56 -15.402  -3.802  -3.802
 1181   1HG1  VAL  56          1HG1      VAL  56 -12.859  -5.106  -5.106
 1182   2HG1  VAL  56          3HG1      VAL  56 -13.126  -4.552  -4.552
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.307  -5.605  -5.605
 1184   1HG2  VAL  56          2HG2      VAL  56 -13.750  -1.557  -1.557
 1185   2HG2  VAL  56          1HG2      VAL  56 -15.125  -2.138  -2.138
 1186   3HG2  VAL  56          3HG2      VAL  56 -13.500  -2.701  -2.701
 1187    H    MET  57           H        MET  57 -15.891  -3.789  -3.789
 1188    HA   MET  57           HA       MET  57 -14.915  -6.419  -6.419
 1189   1HB   MET  57          2HB       MET  57 -17.479  -4.830  -4.830
 1190   2HB   MET  57          1HB       MET  57 -17.261  -6.421  -6.421
 1191   1HG   MET  57          2HG       MET  57 -16.730  -5.958  -5.958
 1192   2HG   MET  57          1HG       MET  57 -18.347  -6.342  -6.342
 1193   1HE   MET  57          3HE       MET  57 -16.198  -7.382  -7.382
 1194   2HE   MET  57          2HE       MET  57 -17.095  -8.895  -8.895
 1195   3HE   MET  57          1HE       MET  57 -15.406  -8.917  -8.917
 1196    H    GLU  58           H        GLU  58 -15.595  -3.210  -3.210
 1197    HA   GLU  58           HA       GLU  58 -15.360  -3.981  -3.981
 1198   1HB   GLU  58          2HB       GLU  58 -15.595  -1.680  -1.680
 1199   2HB   GLU  58          1HB       GLU  58 -16.314  -1.857  -1.857
 1200   1HG   GLU  58          2HG       GLU  58 -14.881  -0.097  -0.097
 1201   2HG   GLU  58          1HG       GLU  58 -13.790  -1.438  -1.438
 1202    H    THR  59           H        THR  59 -13.000  -3.052  -3.052
 1203    HA   THR  59           HA       THR  59 -10.815  -2.909  -2.909
 1204    HB   THR  59           HB       THR  59 -10.789  -2.738  -2.738
 1205    HG1  THR  59           HG1      THR  59 -11.338  -0.860  -0.860
 1206   1HG2  THR  59          3HG2      THR  59  -8.611  -3.103  -3.103
 1207   2HG2  THR  59          2HG2      THR  59  -8.886  -1.551  -1.551
 1208   3HG2  THR  59          1HG2      THR  59  -8.680  -1.624  -1.624
 1209    H    LEU  60           H        LEU  60 -11.873  -4.961  -4.961
 1210    HA   LEU  60           HA       LEU  60  -9.670  -6.771  -6.771
 1211   1HB   LEU  60          2HB       LEU  60 -11.525  -6.463  -6.463
 1212   2HB   LEU  60          1HB       LEU  60 -12.583  -7.353  -7.353
 1213    HG   LEU  60           HG       LEU  60 -11.301  -9.343  -9.343
 1214   1HD1  LEU  60          2HD1      LEU  60  -9.188  -7.448  -7.448
 1215   2HD1  LEU  60          1HD1      LEU  60  -9.154  -9.095  -9.095
 1216   3HD1  LEU  60          3HD1      LEU  60  -9.056  -8.814  -8.814
 1217   1HD2  LEU  60          3HD2      LEU  60 -12.676  -8.699  -8.699
 1218   2HD2  LEU  60          2HD2      LEU  60 -11.332  -9.777  -9.777
 1219   3HD2  LEU  60          1HD2      LEU  60 -11.206  -8.054  -8.054
 1220    H    ASP  61           H        ASP  61 -12.912  -7.207  -7.207
 1221    HA   ASP  61           HA       ASP  61 -12.514  -9.605  -9.605
 1222   1HB   ASP  61          2HB       ASP  61 -14.485  -7.824  -7.824
 1223   2HB   ASP  61          1HB       ASP  61 -13.852  -7.307  -7.307
 1224    H    SER  62           H        SER  62 -11.679  -6.320  -6.320
 1225    HA   SER  62           HA       SER  62 -10.292  -7.473  -7.473
 1226   1HB   SER  62          2HB       SER  62  -9.954  -4.984  -4.984
 1227   2HB   SER  62          1HB       SER  62 -11.625  -5.537  -5.537
 1228    HG   SER  62           HG       SER  62 -11.186  -3.611  -3.611
 1229    H    ASP  63           H        ASP  63  -9.471  -6.954  -6.954
 1230    HA   ASP  63           HA       ASP  63  -7.030  -5.638  -5.638
 1231   1HB   ASP  63          2HB       ASP  63  -8.421  -7.132  -7.132
 1232   2HB   ASP  63          1HB       ASP  63  -7.363  -8.425  -8.425
 1233    H    GLY  64           H        GLY  64  -5.809  -5.790  -5.790
 1234   1HA   GLY  64          2HA       GLY  64  -4.427  -6.837  -6.837
 1235   2HA   GLY  64          1HA       GLY  64  -3.880  -7.824  -7.824
 1236    H    ASP  65           H        ASP  65  -7.222  -7.789  -7.789
 1237    HA   ASP  65           HA       ASP  65  -8.652  -9.578  -9.578
 1238   1HB   ASP  65          2HB       ASP  65  -8.352  -8.821  -8.821
 1239   2HB   ASP  65          1HB       ASP  65  -6.640  -9.244  -9.244
 1240    H    GLY  66           H        GLY  66  -8.440 -11.154 -11.154
 1241   1HA   GLY  66          2HA       GLY  66  -7.814 -13.187 -13.187
 1242   2HA   GLY  66          1HA       GLY  66  -7.451 -13.702 -13.702
 1243    H    GLU  67           H        GLU  67  -5.709 -10.951 -10.951
 1244    HA   GLU  67           HA       GLU  67  -3.432 -12.649 -12.649
 1245   1HB   GLU  67          2HB       GLU  67  -3.193 -12.544 -12.544
 1246   2HB   GLU  67          1HB       GLU  67  -3.454 -10.803 -10.803
 1247   1HG   GLU  67          2HG       GLU  67  -1.340 -10.341 -10.341
 1248   2HG   GLU  67          1HG       GLU  67  -1.236 -11.848 -11.848
 1249    H    CYS  68           H        CYS  68  -3.651 -11.575 -11.575
 1250    HA   CYS  68           HA       CYS  68  -3.246  -8.620  -8.620
 1251   1HB   CYS  68          2HB       CYS  68  -3.754 -10.588 -10.588
 1252   2HB   CYS  68          1HB       CYS  68  -3.976  -8.838  -8.838
 1253    HG   CYS  68           HG       CYS  68  -5.879 -10.851 -10.851
 1254    H    ASP  69           H        ASP  69  -0.977  -8.753  -8.753
 1255    HA   ASP  69           HA       ASP  69   0.924 -10.225 -10.225
 1256   1HB   ASP  69          2HB       ASP  69   0.945  -8.638  -8.638
 1257   2HB   ASP  69          1HB       ASP  69   2.464  -8.944  -8.944
 1258    H    PHE  70           H        PHE  70   2.991  -8.984  -8.984
 1259    HA   PHE  70           HA       PHE  70   3.316  -7.560  -7.560
 1260   1HB   PHE  70          2HB       PHE  70   4.384  -7.350  -7.350
 1261   2HB   PHE  70          1HB       PHE  70   4.787  -6.003  -6.003
 1262    HD1  PHE  70           HD1      PHE  70   5.808  -6.457  -6.457
 1263    HD2  PHE  70           HD2      PHE  70   5.370  -9.510  -9.510
 1264    HE1  PHE  70           HE1      PHE  70   7.485  -7.821  -7.821
 1265    HE2  PHE  70           HE2      PHE  70   7.043 -10.908 -10.908
 1266    HZ   PHE  70           HZ       PHE  70   8.090 -10.065 -10.065
 1267    H    GLN  71           H        GLN  71   3.304  -5.275  -5.275
 1268    HA   GLN  71           HA       GLN  71   2.390  -3.076  -3.076
 1269   1HB   GLN  71          2HB       GLN  71   2.017  -2.156  -2.156
 1270   2HB   GLN  71          1HB       GLN  71   3.623  -2.784  -2.784
 1271   1HG   GLN  71          2HG       GLN  71   3.461  -4.384  -4.384
 1272   2HG   GLN  71          1HG       GLN  71   1.890  -4.902  -4.902
 1273   1HE2  GLN  71          2HE2      GLN  71   0.494  -3.692  -3.692
 1274   2HE2  GLN  71          1HE2      GLN  71   0.759  -5.035  -5.035
 1275    H    GLU  72           H        GLU  72   0.573  -5.685  -5.685
 1276    HA   GLU  72           HA       GLU  72  -1.933  -4.235  -4.235
 1277   1HB   GLU  72          2HB       GLU  72  -1.570  -7.197  -7.197
 1278   2HB   GLU  72          1HB       GLU  72  -2.743  -6.383  -6.383
 1279   1HG   GLU  72          2HG       GLU  72  -0.284  -5.489  -5.489
 1280   2HG   GLU  72          1HG       GLU  72   0.003  -7.188  -7.188
 1281    H    PHE  73           H        PHE  73  -0.487  -6.188  -6.188
 1282    HA   PHE  73           HA       PHE  73  -2.821  -6.256  -6.256
 1283   1HB   PHE  73          2HB       PHE  73  -1.179  -7.766  -7.766
 1284   2HB   PHE  73          1HB       PHE  73   0.126  -6.646  -6.646
 1285    HD1  PHE  73           HD1      PHE  73  -2.843  -5.843  -5.843
 1286    HD2  PHE  73           HD2      PHE  73   1.337  -6.819  -6.819
 1287    HE1  PHE  73           HE1      PHE  73  -2.674  -5.205  -5.205
 1288    HE2  PHE  73           HE2      PHE  73   1.502  -6.188  -6.188
 1289    HZ   PHE  73           HZ       PHE  73  -0.507  -5.379  -5.379
 1290    H    MET  74           H        MET  74   0.101  -4.185  -4.185
 1291    HA   MET  74           HA       MET  74  -1.013  -2.389  -2.389
 1292   1HB   MET  74          2HB       MET  74   1.131  -2.289  -2.289
 1293   2HB   MET  74          1HB       MET  74   0.732  -0.822  -0.822
 1294   1HG   MET  74          2HG       MET  74   1.001  -3.159  -3.159
 1295   2HG   MET  74          1HG       MET  74   2.481  -2.797  -2.797
 1296   1HE   MET  74          1HE       MET  74   3.947  -0.892  -0.892
 1297   2HE   MET  74          3HE       MET  74   2.708   0.133   0.133
 1298   3HE   MET  74          2HE       MET  74   3.535   0.659   0.659
 1299    H    ALA  75           H        ALA  75  -1.280  -2.526  -2.526
 1300    HA   ALA  75           HA       ALA  75  -2.401   0.081   0.081
 1301   1HB   ALA  75          1HB       ALA  75  -2.333  -2.586  -2.586
 1302   2HB   ALA  75          3HB       ALA  75  -3.238  -1.240  -1.240
 1303   3HB   ALA  75          2HB       ALA  75  -1.500  -1.092  -1.092
 1304    H    PHE  76           H        PHE  76  -4.017  -3.108  -3.108
 1305    HA   PHE  76           HA       PHE  76  -6.672  -1.968  -1.968
 1306   1HB   PHE  76          2HB       PHE  76  -6.187  -4.108  -4.108
 1307   2HB   PHE  76          1HB       PHE  76  -5.493  -4.713  -4.713
 1308    HD1  PHE  76           HD2      PHE  76  -8.671  -3.487  -3.487
 1309    HD2  PHE  76           HD1      PHE  76  -6.843  -5.740  -5.740
 1310    HE1  PHE  76           HE2      PHE  76 -10.898  -4.352  -4.352
 1311    HE2  PHE  76           HE1      PHE  76  -9.069  -6.605  -6.605
 1312    HZ   PHE  76           HZ       PHE  76 -11.094  -5.913  -5.913
 1313    H    VAL  77           H        VAL  77  -4.602  -3.519  -3.519
 1314    HA   VAL  77           HA       VAL  77  -6.378  -3.587  -3.587
 1315    HB   VAL  77           HB       VAL  77  -3.863  -4.218  -4.218
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.644  -1.349  -1.349
 1317   2HG1  VAL  77          1HG1      VAL  77  -2.322  -2.515  -2.515
 1318   3HG1  VAL  77          3HG1      VAL  77  -3.056  -1.978  -1.978
 1319   1HG2  VAL  77          1HG2      VAL  77  -5.238  -3.082  -3.082
 1320   2HG2  VAL  77          3HG2      VAL  77  -4.817  -4.757  -4.757
 1321   3HG2  VAL  77          2HG2      VAL  77  -3.562  -3.616  -3.616
 1322    H    ALA  78           H        ALA  78  -4.509  -0.860  -0.860
 1323    HA   ALA  78           HA       ALA  78  -5.527   1.072   1.072
 1324   1HB   ALA  78          2HB       ALA  78  -3.501   0.891   0.891
 1325   2HB   ALA  78          1HB       ALA  78  -4.606   2.069   2.069
 1326   3HB   ALA  78          3HB       ALA  78  -3.929   2.352   2.352
 1327    H    MET  79           H        MET  79  -6.476  -0.001  -0.001
 1328    HA   MET  79           HA       MET  79  -8.406   2.067   2.067
 1329   1HB   MET  79          2HB       MET  79  -7.324  -0.049  -0.049
 1330   2HB   MET  79          1HB       MET  79  -8.909  -0.710  -0.710
 1331   1HG   MET  79          2HG       MET  79  -8.682   2.050   2.050
 1332   2HG   MET  79          1HG       MET  79  -8.627   0.636   0.636
 1333   1HE   MET  79          1HE       MET  79 -10.179   3.161   3.161
 1334   2HE   MET  79          3HE       MET  79 -11.769   3.032   3.032
 1335   3HE   MET  79          2HE       MET  79 -11.581   2.670   2.670
 1336    H    ILE  80           H        ILE  80  -8.557  -1.028  -1.028
 1337    HA   ILE  80           HA       ILE  80 -11.387  -1.110  -1.110
 1338    HB   ILE  80           HB       ILE  80  -9.001  -2.093  -2.093
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.091  -2.786  -2.786
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.232  -4.133  -4.133
 1341   1HG2  ILE  80          1HG2      ILE  80 -11.775  -2.161  -2.161
 1342   2HG2  ILE  80          3HG2      ILE  80 -11.313  -3.794  -3.794
 1343   3HG2  ILE  80          2HG2      ILE  80 -10.478  -2.997  -2.997
 1344   1HD1  ILE  80          1HD1      ILE  80 -11.842  -3.022  -3.022
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.049  -3.430  -3.430
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.266  -4.665  -4.665
 1347    H    THR  81           H        THR  81  -8.796  -0.416  -0.416
 1348    HA   THR  81           HA       THR  81 -10.272   0.754   0.754
 1349    HB   THR  81           HB       THR  81  -7.643   1.966   1.966
 1350    HG1  THR  81           HG1      THR  81  -6.967   0.109   0.109
 1351   1HG2  THR  81          2HG2      THR  81  -8.908   1.980   1.980
 1352   2HG2  THR  81          1HG2      THR  81  -8.444   0.283   0.283
 1353   3HG2  THR  81          3HG2      THR  81  -7.203   1.532   1.532
 1354    H    THR  82           H        THR  82  -9.019   2.335   2.335
 1355    HA   THR  82           HA       THR  82  -9.698   5.029   5.029
 1356    HB   THR  82           HB       THR  82  -9.825   5.180   5.180
 1357    HG1  THR  82           HG1      THR  82 -10.015   3.203   3.203
 1358   1HG2  THR  82          1HG2      THR  82  -7.845   5.689   5.689
 1359   2HG2  THR  82          3HG2      THR  82  -7.231   4.112   4.112
 1360   3HG2  THR  82          2HG2      THR  82  -7.484   5.382   5.382
 1361    H    ALA  83           H        ALA  83 -11.642   2.332   2.332
 1362    HA   ALA  83           HA       ALA  83 -13.906   3.948   3.948
 1363   1HB   ALA  83          1HB       ALA  83 -13.438   1.017   1.017
 1364   2HB   ALA  83          3HB       ALA  83 -14.972   1.642   1.642
 1365   3HB   ALA  83          2HB       ALA  83 -13.511   1.807   1.807
 1366    H    CYS  84           H        CYS  84 -13.024   2.189   2.189
 1367    HA   CYS  84           HA       CYS  84 -15.433   2.122   2.122
 1368   1HB   CYS  84          2HB       CYS  84 -12.547   2.453   2.453
 1369   2HB   CYS  84          1HB       CYS  84 -13.703   2.731   2.731
 1370    HG   CYS  84           HG       CYS  84 -12.878   0.066   0.066
 1371    H    HIS  85           H        HIS  85 -13.373   4.498   4.498
 1372    HA   HIS  85           HA       HIS  85 -14.891   6.840   6.840
 1373   1HB   HIS  85          2HB       HIS  85 -16.242   5.307   5.307
 1374   2HB   HIS  85          1HB       HIS  85 -15.230   6.128   6.128
 1375    HD1  HIS  85           HD1      HIS  85 -16.628   7.676   7.676
 1376    HD2  HIS  85           HD2      HIS  85 -17.081   7.988   7.988
 1377    HE1  HIS  85           HE1      HIS  85 -18.126   9.679   9.679
 1378    H    GLU  86           H        GLU  86 -14.242   8.776   8.776
 1379    HA   GLU  86           HA       GLU  86 -12.377  10.089  10.089
 1380   1HB   GLU  86          2HB       GLU  86 -12.178   7.550   7.550
 1381   2HB   GLU  86          1HB       GLU  86 -11.353   9.060   9.060
 1382   1HG   GLU  86          2HG       GLU  86 -14.229   9.380   9.380
 1383   2HG   GLU  86          1HG       GLU  86 -13.870   8.390   8.390
 1384    H    PHE  87           H        PHE  87 -11.291   9.852   9.852
 1385    HA   PHE  87           HA       PHE  87  -9.507   9.283   9.283
 1386   1HB   PHE  87          2HB       PHE  87  -8.546   9.844   9.844
 1387   2HB   PHE  87          1HB       PHE  87  -7.739   8.327   8.327
 1388    HD1  PHE  87           HD2      PHE  87  -8.348  11.819  11.819
 1389    HD2  PHE  87           HD1      PHE  87  -6.170   8.205   8.205
 1390    HE1  PHE  87           HE2      PHE  87  -7.003  12.998  12.998
 1391    HE2  PHE  87           HE1      PHE  87  -4.947   9.324   9.324
 1392    HZ   PHE  87           HZ       PHE  87  -5.293  11.754  11.754
 1393    H    PHE  88           H        PHE  88  -8.777   6.829   6.829
 1394    HA   PHE  88           HA       PHE  88  -9.177   4.768   4.768
 1395   1HB   PHE  88          2HB       PHE  88  -7.442   5.138   5.138
 1396   2HB   PHE  88          1HB       PHE  88  -7.831   3.488   3.488
 1397    HD1  PHE  88           HD1      PHE  88  -7.093   6.660   6.660
 1398    HD2  PHE  88           HD2      PHE  88  -6.123   2.524   2.524
 1399    HE1  PHE  88           HE1      PHE  88  -5.391   6.795   6.795
 1400    HE2  PHE  88           HE2      PHE  88  -4.432   2.655   2.655
 1401    HZ   PHE  88           HZ       PHE  88  -4.067   4.793   4.793
 1402    H    GLU  89           H        GLU  89  -9.072   3.587   3.587
 1403    HA   GLU  89           HA       GLU  89 -12.057   3.385   3.385
 1404   1HB   GLU  89          2HB       GLU  89 -11.265   1.321   1.321
 1405   2HB   GLU  89          1HB       GLU  89  -9.918   1.257   1.257
 1406   1HG   GLU  89          2HG       GLU  89 -11.434   0.891   0.891
 1407   2HG   GLU  89          1HG       GLU  89 -12.834   1.120   1.120
 1408    H    HIS  90           H        HIS  90  -9.252   4.336   4.336
 1409    HA   HIS  90           HA       HIS  90 -10.646   4.384   4.384
 1410   1HB   HIS  90          2HB       HIS  90  -7.764   3.563   3.563
 1411   2HB   HIS  90          1HB       HIS  90  -9.019   3.137   3.137
 1412    HD1  HIS  90           HD1      HIS  90  -9.906   0.814   0.814
 1413    HD2  HIS  90           HD2      HIS  90  -8.290   2.201   2.201
 1414    HE1  HIS  90           HE1      HIS  90 -10.046  -1.110  -1.110
 1415    H    GLU  91           H        GLU  91  -9.316   6.161   6.161
 1416    HA   GLU  91           HA       GLU  91  -7.196   7.675   7.675
 1417   1HB   GLU  91          2HB       GLU  91  -8.226   7.818   7.818
 1418   2HB   GLU  91          1HB       GLU  91  -9.603   8.660   8.660
 1419   1HG   GLU  91          2HG       GLU  91  -7.172   9.914   9.914
 1420   2HG   GLU  91          1HG       GLU  91  -7.154   9.794   9.794

  Start of MODEL    7
    1   1H    MET   0          2H        MET   0   0.728  -8.418  -8.418
    2   2H    MET   0          1H        MET   0  -0.036  -8.534  -8.534
    3   3H    MET   0          3H        MET   0   0.904  -9.823  -9.823
    4    HA   MET   0           HA       MET   0  -0.662 -10.368 -10.368
    5   1HB   MET   0          2HB       MET   0  -1.040 -10.969 -10.969
    6   2HB   MET   0          1HB       MET   0  -2.150  -9.601  -9.601
    7   1HG   MET   0          2HG       MET   0  -3.315 -10.664 -10.664
    8   2HG   MET   0          1HG       MET   0  -2.412 -12.122 -12.122
    9   1HE   MET   0          1HE       MET   0  -5.377 -10.653 -10.653
   10   2HE   MET   0          3HE       MET   0  -6.353 -11.031 -11.031
   11   3HE   MET   0          2HE       MET   0  -5.331  -9.597  -9.597
   12    H    SER   1           H        SER   1  -2.126  -7.680  -7.680
   13    HA   SER   1           HA       SER   1  -3.734  -6.886  -6.886
   14   1HB   SER   1          2HB       SER   1  -3.436  -5.875  -5.875
   15   2HB   SER   1          1HB       SER   1  -4.589  -5.213  -5.213
   16    HG   SER   1           HG       SER   1  -5.269  -7.003  -7.003
   17    H    GLU   2           H        GLU   2  -0.599  -6.475  -6.475
   18    HA   GLU   2           HA       GLU   2   0.155  -3.825  -3.825
   19   1HB   GLU   2          2HB       GLU   2   1.064  -6.269  -6.269
   20   2HB   GLU   2          1HB       GLU   2   1.713  -4.764  -4.764
   21   1HG   GLU   2          2HG       GLU   2   2.074  -4.242  -4.242
   22   2HG   GLU   2          1HG       GLU   2   2.124  -6.003  -6.003
   23    H    LEU   3           H        LEU   3  -1.627  -5.377  -5.377
   24    HA   LEU   3           HA       LEU   3  -1.246  -3.245  -3.245
   25   1HB   LEU   3          2HB       LEU   3  -3.404  -5.361  -5.361
   26   2HB   LEU   3          1HB       LEU   3  -2.877  -4.536  -4.536
   27    HG   LEU   3           HG       LEU   3  -0.907  -6.099  -6.099
   28   1HD1  LEU   3          2HD1      LEU   3  -2.983  -7.133  -7.133
   29   2HD1  LEU   3          1HD1      LEU   3  -1.411  -7.926  -7.926
   30   3HD1  LEU   3          3HD1      LEU   3  -2.444  -7.822  -7.822
   31   1HD2  LEU   3          1HD2      LEU   3  -0.801  -4.518  -4.518
   32   2HD2  LEU   3          3HD2      LEU   3   0.472  -5.566  -5.566
   33   3HD2  LEU   3          2HD2      LEU   3  -0.677  -6.185  -6.185
   34    H    GLU   4           H        GLU   4  -4.159  -4.306  -4.306
   35    HA   GLU   4           HA       GLU   4  -5.763  -2.024  -2.024
   36   1HB   GLU   4          2HB       GLU   4  -6.689  -4.055  -4.055
   37   2HB   GLU   4          1HB       GLU   4  -5.639  -3.924  -3.924
   38   1HG   GLU   4          2HG       GLU   4  -7.281  -1.534  -1.534
   39   2HG   GLU   4          1HG       GLU   4  -8.217  -2.984  -2.984
   40    H    LYS   5           H        LYS   5  -3.553  -2.718  -2.718
   41    HA   LYS   5           HA       LYS   5  -3.938  -0.234  -0.234
   42   1HB   LYS   5          2HB       LYS   5  -1.416  -1.917  -1.917
   43   2HB   LYS   5          1HB       LYS   5  -2.072  -1.016  -1.016
   44   1HG   LYS   5          2HG       LYS   5  -4.074  -2.878  -2.878
   45   2HG   LYS   5          1HG       LYS   5  -2.553  -3.750  -3.750
   46   1HD   LYS   5          2HD       LYS   5  -2.314  -3.009  -3.009
   47   2HD   LYS   5          1HD       LYS   5  -3.639  -1.857  -1.857
   48   1HE   LYS   5          2HE       LYS   5  -5.057  -3.993  -3.993
   49   2HE   LYS   5          1HE       LYS   5  -3.766  -4.850  -4.850
   50   1HZ   LYS   5          2HZ       LYS   5  -4.035  -3.315  -3.315
   51   2HZ   LYS   5          1HZ       LYS   5  -5.292  -2.515  -2.515
   52   3HZ   LYS   5          3HZ       LYS   5  -5.496  -4.124  -4.124
   53    H    ALA   6           H        ALA   6  -1.835  -1.271  -1.271
   54    HA   ALA   6           HA       ALA   6  -0.298   1.210   1.210
   55   1HB   ALA   6          2HB       ALA   6  -0.748  -1.182  -1.182
   56   2HB   ALA   6          1HB       ALA   6   0.222   0.191   0.191
   57   3HB   ALA   6          3HB       ALA   6   0.718  -0.742  -0.742
   58    H    VAL   7           H        VAL   7  -3.172  -0.174  -0.174
   59    HA   VAL   7           HA       VAL   7  -3.774   1.690   1.690
   60    HB   VAL   7           HB       VAL   7  -5.018  -0.351  -0.351
   61   1HG1  VAL   7          2HG1      VAL   7  -6.559   2.083   2.083
   62   2HG1  VAL   7          1HG1      VAL   7  -7.352   0.527   0.527
   63   3HG1  VAL   7          3HG1      VAL   7  -6.759   0.975   0.975
   64   1HG2  VAL   7          3HG2      VAL   7  -5.281   0.522   0.522
   65   2HG2  VAL   7          2HG2      VAL   7  -4.420  -0.883  -0.883
   66   3HG2  VAL   7          1HG2      VAL   7  -6.182  -0.834  -0.834
   67    H    VAL   8           H        VAL   8  -4.793   1.660   1.660
   68    HA   VAL   8           HA       VAL   8  -6.011   4.231   4.231
   69    HB   VAL   8           HB       VAL   8  -4.651   2.400   2.400
   70   1HG1  VAL   8          1HG1      VAL   8  -4.306   4.800   4.800
   71   2HG1  VAL   8          3HG1      VAL   8  -6.058   4.997   4.997
   72   3HG1  VAL   8          2HG1      VAL   8  -5.296   3.872   3.872
   73   1HG2  VAL   8          1HG2      VAL   8  -7.279   2.725   2.725
   74   2HG2  VAL   8          3HG2      VAL   8  -6.726   1.527   1.527
   75   3HG2  VAL   8          2HG2      VAL   8  -7.352   3.079   3.079
   76    H    ALA   9           H        ALA   9  -2.657   3.170   3.170
   77    HA   ALA   9           HA       ALA   9  -1.536   5.702   5.702
   78   1HB   ALA   9          1HB       ALA   9  -0.727   3.020   3.020
   79   2HB   ALA   9          3HB       ALA   9   0.287   4.108   4.108
   80   3HB   ALA   9          2HB       ALA   9   0.208   4.279   4.279
   81    H    LEU  10           H        LEU  10  -2.308   4.215   4.215
   82    HA   LEU  10           HA       LEU  10  -0.864   6.039   6.039
   83   1HB   LEU  10          2HB       LEU  10  -3.565   4.903   4.903
   84   2HB   LEU  10          1HB       LEU  10  -2.168   5.160   5.160
   85    HG   LEU  10           HG       LEU  10  -2.569   3.019   3.019
   86   1HD1  LEU  10          3HD1      LEU  10  -2.557   3.201   3.201
   87   2HD1  LEU  10          2HD1      LEU  10  -1.445   1.969   1.969
   88   3HD1  LEU  10          1HD1      LEU  10  -3.151   1.905   1.905
   89   1HD2  LEU  10          1HD2      LEU  10  -0.295   4.108   4.108
   90   2HD2  LEU  10          3HD2      LEU  10  -0.239   2.403   2.403
   91   3HD2  LEU  10          2HD2      LEU  10   0.021   3.646   3.646
   92    H    ILE  11           H        ILE  11  -4.172   6.195   6.195
   93    HA   ILE  11           HA       ILE  11  -5.048   8.586   8.586
   94    HB   ILE  11           HB       ILE  11  -6.537   8.772   8.772
   95   1HG1  ILE  11          2HG1      ILE  11  -5.687   7.222   7.222
   96   2HG1  ILE  11          1HG1      ILE  11  -4.176   7.929   7.929
   97   1HG2  ILE  11          1HG2      ILE  11  -5.961   6.194   6.194
   98   2HG2  ILE  11          3HG2      ILE  11  -6.311   5.984   5.984
   99   3HG2  ILE  11          2HG2      ILE  11  -7.485   6.777   6.777
  100   1HD1  ILE  11          3HD1      ILE  11  -6.443   9.814   9.814
  101   2HD1  ILE  11          2HD1      ILE  11  -5.937   9.206   9.206
  102   3HD1  ILE  11          1HD1      ILE  11  -4.776  10.032  10.032
  103    H    ASP  12           H        ASP  12  -2.581   7.987   7.987
  104    HA   ASP  12           HA       ASP  12  -2.106  10.794  10.794
  105   1HB   ASP  12          2HB       ASP  12  -1.450   8.176   8.176
  106   2HB   ASP  12          1HB       ASP  12   0.079   8.942   8.942
  107    H    VAL  13           H        VAL  13  -0.623   8.270   8.270
  108    HA   VAL  13           HA       VAL  13   1.538   9.842   9.842
  109    HB   VAL  13           HB       VAL  13   0.043   7.503   7.503
  110   1HG1  VAL  13          3HG1      VAL  13   2.015   9.036   9.036
  111   2HG1  VAL  13          2HG1      VAL  13   2.968   7.802   7.802
  112   3HG1  VAL  13          1HG1      VAL  13   1.758   7.331   7.331
  113   1HG2  VAL  13          1HG2      VAL  13   1.389   7.658   7.658
  114   2HG2  VAL  13          3HG2      VAL  13   0.914   6.190   6.190
  115   3HG2  VAL  13          2HG2      VAL  13   2.520   6.874   6.874
  116    H    PHE  14           H        PHE  14  -1.415   8.792   8.792
  117    HA   PHE  14           HA       PHE  14  -1.037  10.595  10.595
  118   1HB   PHE  14          2HB       PHE  14  -3.087   8.815   8.815
  119   2HB   PHE  14          1HB       PHE  14  -3.832  10.364  10.364
  120    HD1  PHE  14           HD2      PHE  14  -3.198  11.470  11.470
  121    HD2  PHE  14           HD1      PHE  14  -2.338   7.377   7.377
  122    HE1  PHE  14           HE2      PHE  14  -2.857  11.004  11.004
  123    HE2  PHE  14           HE1      PHE  14  -2.004   6.901   6.901
  124    HZ   PHE  14           HZ       PHE  14  -2.274   8.709   8.709
  125    H    HIS  15           H        HIS  15  -2.928  11.095  11.095
  126    HA   HIS  15           HA       HIS  15  -4.009  13.613  13.613
  127   1HB   HIS  15          2HB       HIS  15  -4.337  12.504  12.504
  128   2HB   HIS  15          1HB       HIS  15  -2.602  12.389  12.389
  129    HD1  HIS  15           HD1      HIS  15  -5.206  15.142  15.142
  130    HD2  HIS  15           HD2      HIS  15  -1.679  14.433  14.433
  131    HE1  HIS  15           HE1      HIS  15  -4.804  17.190  17.190
  132    H    GLN  16           H        GLN  16  -0.626  12.832  12.832
  133    HA   GLN  16           HA       GLN  16   0.279  15.584  15.584
  134   1HB   GLN  16          2HB       GLN  16   1.655  12.912  12.912
  135   2HB   GLN  16          1HB       GLN  16   2.508  14.430  14.430
  136   1HG   GLN  16          2HG       GLN  16   0.352  13.862  13.862
  137   2HG   GLN  16          1HG       GLN  16   1.678  12.698  12.698
  138   1HE2  GLN  16          2HE2      GLN  16   4.114  15.358  15.358
  139   2HE2  GLN  16          1HE2      GLN  16   3.955  14.080  14.080
  140    H    TYR  17           H        TYR  17   1.373  13.106  13.106
  141    HA   TYR  17           HA       TYR  17   2.386  14.621  14.621
  142   1HB   TYR  17          2HB       TYR  17   0.640  12.159  12.159
  143   2HB   TYR  17          1HB       TYR  17   1.383  12.781  12.781
  144    HD1  TYR  17           HD2      TYR  17   2.005  11.280  11.280
  145    HD2  TYR  17           HD1      TYR  17   3.804  12.771  12.771
  146    HE1  TYR  17           HE2      TYR  17   4.160  10.248  10.248
  147    HE2  TYR  17           HE1      TYR  17   5.962  11.749  11.749
  148    HH   TYR  17           HH       TYR  17   6.397  10.271  10.271
  149    H    SER  18           H        SER  18  -1.022  13.542  13.542
  150    HA   SER  18           HA       SER  18  -1.691  15.411  15.411
  151   1HB   SER  18          2HB       SER  18  -3.334  13.939  13.939
  152   2HB   SER  18          1HB       SER  18  -4.030  14.794  14.794
  153    HG   SER  18           HG       SER  18  -2.024  12.809  12.809
  154    H    GLY  19           H        GLY  19  -1.079  16.025  16.025
  155   1HA   GLY  19          2HA       GLY  19  -2.328  18.708  18.708
  156   2HA   GLY  19          1HA       GLY  19  -2.726  17.753  17.753
  157    H    ARG  20           H        ARG  20   0.454  17.970  17.970
  158    HA   ARG  20           HA       ARG  20   1.499  19.248  19.248
  159   1HB   ARG  20          2HB       ARG  20   3.484  17.830  17.830
  160   2HB   ARG  20          1HB       ARG  20   2.035  16.829  16.829
  161   1HG   ARG  20          2HG       ARG  20   2.053  16.425  16.425
  162   2HG   ARG  20          1HG       ARG  20   3.081  17.820  17.820
  163   1HD   ARG  20          2HD       ARG  20   4.164  15.615  15.615
  164   2HD   ARG  20          1HD       ARG  20   4.141  15.398  15.398
  165    HE   ARG  20           HE       ARG  20   5.337  17.655  17.655
  166   1HH1  ARG  20          2HH1      ARG  20   6.137  15.088  15.088
  167   2HH1  ARG  20          1HH1      ARG  20   7.305  15.956  15.956
  168   1HH2  ARG  20          1HH2      ARG  20   6.541  19.032  19.032
  169   2HH2  ARG  20          2HH2      ARG  20   7.536  18.190  18.190
  170    H    GLU  21           H        GLU  21   0.857  19.879  19.879
  171    HA   GLU  21           HA       GLU  21   3.103  21.822  21.822
  172   1HB   GLU  21          2HB       GLU  21   2.881  19.371  19.371
  173   2HB   GLU  21          1HB       GLU  21   2.530  20.656  20.656
  174   1HG   GLU  21          2HG       GLU  21   4.627  21.827  21.827
  175   2HG   GLU  21          1HG       GLU  21   5.020  20.260  20.260
  176    H    GLY  22           H        GLY  22   0.143  20.621  20.621
  177   1HA   GLY  22          2HA       GLY  22  -1.370  22.973  22.973
  178   2HA   GLY  22          1HA       GLY  22  -0.473  23.116  23.116
  179    H    ASP  23           H        ASP  23  -2.424  20.670  20.670
  180    HA   ASP  23           HA       ASP  23  -4.098  20.265  20.265
  181   1HB   ASP  23          2HB       ASP  23  -1.776  18.611  18.611
  182   2HB   ASP  23          1HB       ASP  23  -3.256  17.672  17.672
  183    H    LYS  24           H        LYS  24  -5.352  17.944  17.944
  184    HA   LYS  24           HA       LYS  24  -6.313  18.379  18.379
  185   1HB   LYS  24          2HB       LYS  24  -7.717  17.610  17.610
  186   2HB   LYS  24          1HB       LYS  24  -8.491  17.496  17.496
  187   1HG   LYS  24          2HG       LYS  24  -8.081  19.904  19.904
  188   2HG   LYS  24          1HG       LYS  24  -7.321  20.018  20.018
  189   1HD   LYS  24          2HD       LYS  24  -9.401  20.544  20.544
  190   2HD   LYS  24          1HD       LYS  24  -9.716  18.814  18.814
  191   1HE   LYS  24          2HE       LYS  24 -11.280  19.241  19.241
  192   2HE   LYS  24          1HE       LYS  24 -10.023  19.955  19.955
  193   1HZ   LYS  24          1HZ       LYS  24 -11.085  21.457  21.457
  194   2HZ   LYS  24          3HZ       LYS  24 -11.938  21.454  21.454
  195   3HZ   LYS  24          2HZ       LYS  24 -10.346  22.045  22.045
  196    H    HIS  25           H        HIS  25  -7.010  15.777  15.777
  197    HA   HIS  25           HA       HIS  25  -5.482  13.844  13.844
  198   1HB   HIS  25          2HB       HIS  25  -8.445  14.067  14.067
  199   2HB   HIS  25          1HB       HIS  25  -7.739  12.462  12.462
  200    HD1  HIS  25           HD1      HIS  25  -9.572  13.850  13.850
  201    HD2  HIS  25           HD2      HIS  25  -5.404  13.731  13.731
  202    HE1  HIS  25           HE1      HIS  25  -8.879  14.171  14.171
  203    H    LYS  26           H        LYS  26  -4.516  14.507  14.507
  204    HA   LYS  26           HA       LYS  26  -4.931  12.102  12.102
  205   1HB   LYS  26          2HB       LYS  26  -6.491  14.096  14.096
  206   2HB   LYS  26          1HB       LYS  26  -5.019  14.822  14.822
  207   1HG   LYS  26          2HG       LYS  26  -5.798  11.994  11.994
  208   2HG   LYS  26          1HG       LYS  26  -6.467  13.370  13.370
  209   1HD   LYS  26          2HD       LYS  26  -3.492  13.077  13.077
  210   2HD   LYS  26          1HD       LYS  26  -4.312  12.298  12.298
  211   1HE   LYS  26          2HE       LYS  26  -3.792  14.314  14.314
  212   2HE   LYS  26          1HE       LYS  26  -5.335  14.777  14.777
  213   1HZ   LYS  26          2HZ       LYS  26  -3.035  14.890  14.890
  214   2HZ   LYS  26          1HZ       LYS  26  -3.008  16.018  16.018
  215   3HZ   LYS  26          3HZ       LYS  26  -4.312  15.996  15.996
  216    H    LEU  27           H        LEU  27  -2.961  11.515  11.515
  217    HA   LEU  27           HA       LEU  27  -0.614  13.173  13.173
  218   1HB   LEU  27          2HB       LEU  27  -1.323  10.432  10.432
  219   2HB   LEU  27          1HB       LEU  27  -0.041  10.737  10.737
  220    HG   LEU  27           HG       LEU  27   0.633  10.064  10.064
  221   1HD1  LEU  27          1HD1      LEU  27   1.741  12.058  12.058
  222   2HD1  LEU  27          3HD1      LEU  27   2.339  12.204  12.204
  223   3HD1  LEU  27          2HD1      LEU  27   2.524  10.684  10.684
  224   1HD2  LEU  27          3HD2      LEU  27  -0.972  12.184  12.184
  225   2HD2  LEU  27          2HD2      LEU  27   0.266  11.477  11.477
  226   3HD2  LEU  27          1HD2      LEU  27   0.638  12.900  12.900
  227    H    LYS  28           H        LYS  28   1.015  13.674  13.674
  228    HA   LYS  28           HA       LYS  28   0.009  13.758  13.758
  229   1HB   LYS  28          2HB       LYS  28   1.304  15.773  15.773
  230   2HB   LYS  28          1HB       LYS  28   1.580  15.895  15.895
  231   1HG   LYS  28          2HG       LYS  28  -0.689  16.256  16.256
  232   2HG   LYS  28          1HG       LYS  28  -1.213  15.561  15.561
  233   1HD   LYS  28          2HD       LYS  28  -1.257  17.629  17.629
  234   2HD   LYS  28          1HD       LYS  28   0.487  17.737  17.737
  235   1HE   LYS  28          2HE       LYS  28  -0.232  18.298  18.298
  236   2HE   LYS  28          1HE       LYS  28  -1.729  18.818  18.818
  237   1HZ   LYS  28          1HZ       LYS  28   0.948  19.585  19.585
  238   2HZ   LYS  28          3HZ       LYS  28   0.122  20.526  20.526
  239   3HZ   LYS  28          2HZ       LYS  28  -0.558  20.268  20.268
  240    H    LYS  29           H        LYS  29   1.830  13.753  13.753
  241    HA   LYS  29           HA       LYS  29   3.706  11.699  11.699
  242   1HB   LYS  29          2HB       LYS  29   4.118  14.227  14.227
  243   2HB   LYS  29          1HB       LYS  29   4.702  12.606  12.606
  244   1HG   LYS  29          2HG       LYS  29   2.796  12.148  12.148
  245   2HG   LYS  29          1HG       LYS  29   1.853  12.496  12.496
  246   1HD   LYS  29          2HD       LYS  29   2.839  14.940  14.940
  247   2HD   LYS  29          1HD       LYS  29   1.877  13.992  13.992
  248   1HE   LYS  29          2HE       LYS  29   0.037  14.844  14.844
  249   2HE   LYS  29          1HE       LYS  29   0.466  13.873  13.873
  250   1HZ   LYS  29          2HZ       LYS  29   2.213  15.846  15.846
  251   2HZ   LYS  29          1HZ       LYS  29   0.960  16.697  16.697
  252   3HZ   LYS  29          3HZ       LYS  29   0.668  15.908  15.908
  253    H    SER  30           H        SER  30   3.831  14.945  14.945
  254    HA   SER  30           HA       SER  30   6.747  14.861  14.861
  255   1HB   SER  30          2HB       SER  30   5.663  17.043  17.043
  256   2HB   SER  30          1HB       SER  30   6.253  17.051  17.051
  257    HG   SER  30           HG       SER  30   4.080  17.797  17.797
  258    H    GLU  31           H        GLU  31   3.748  14.942  14.942
  259    HA   GLU  31           HA       GLU  31   5.049  14.785  14.785
  260   1HB   GLU  31          2HB       GLU  31   2.329  13.746  13.746
  261   2HB   GLU  31          1HB       GLU  31   2.809  14.146  14.146
  262   1HG   GLU  31          2HG       GLU  31   3.131  16.490  16.490
  263   2HG   GLU  31          1HG       GLU  31   2.742  16.119  16.119
  264    H    LEU  32           H        LEU  32   4.026  12.295  12.295
  265    HA   LEU  32           HA       LEU  32   4.292   9.983   9.983
  266   1HB   LEU  32          2HB       LEU  32   4.178  10.750  10.750
  267   2HB   LEU  32          1HB       LEU  32   5.279   9.389   9.389
  268    HG   LEU  32           HG       LEU  32   2.382   9.555   9.555
  269   1HD1  LEU  32          3HD1      LEU  32   3.898   7.827   7.827
  270   2HD1  LEU  32          2HD1      LEU  32   2.240   7.506   7.506
  271   3HD1  LEU  32          1HD1      LEU  32   2.622   8.990   8.990
  272   1HD2  LEU  32          2HD2      LEU  32   4.607   7.669   7.669
  273   2HD2  LEU  32          1HD2      LEU  32   3.357   8.369   8.369
  274   3HD2  LEU  32          3HD2      LEU  32   2.951   7.073   7.073
  275    H    LYS  33           H        LYS  33   6.795  11.255  11.255
  276    HA   LYS  33           HA       LYS  33   8.953   9.681   9.681
  277   1HB   LYS  33          2HB       LYS  33   8.477  12.025  12.025
  278   2HB   LYS  33          1HB       LYS  33   9.729  12.463  12.463
  279   1HG   LYS  33          2HG       LYS  33   9.789  10.243  10.243
  280   2HG   LYS  33          1HG       LYS  33  10.905  11.598  11.598
  281   1HD   LYS  33          2HD       LYS  33  11.407  10.603  10.603
  282   2HD   LYS  33          1HD       LYS  33  10.666   9.132   9.132
  283   1HE   LYS  33          2HE       LYS  33  13.024  10.601  10.601
  284   2HE   LYS  33          1HE       LYS  33  13.095   9.051   9.051
  285   1HZ   LYS  33          3HZ       LYS  33  11.090   8.627   8.627
  286   2HZ   LYS  33          2HZ       LYS  33  12.098   9.634   9.634
  287   3HZ   LYS  33          1HZ       LYS  33  12.701   8.179   8.179
  288    H    GLU  34           H        GLU  34   7.947  12.808  12.808
  289    HA   GLU  34           HA       GLU  34   9.845  12.985  12.985
  290   1HB   GLU  34          2HB       GLU  34   7.517  14.275  14.275
  291   2HB   GLU  34          1HB       GLU  34   7.107  13.695  13.695
  292   1HG   GLU  34          2HG       GLU  34   8.714  15.003  15.003
  293   2HG   GLU  34          1HG       GLU  34   9.772  14.997  14.997
  294    H    LEU  35           H        LEU  35   7.046  10.919  10.919
  295    HA   LEU  35           HA       LEU  35   6.824  10.094  10.094
  296   1HB   LEU  35          2HB       LEU  35   5.252   9.948   9.948
  297   2HB   LEU  35          1HB       LEU  35   6.019   8.368   8.368
  298    HG   LEU  35           HG       LEU  35   5.241   8.906   8.906
  299   1HD1  LEU  35          2HD1      LEU  35   3.467  10.020  10.020
  300   2HD1  LEU  35          1HD1      LEU  35   2.835   8.380   8.380
  301   3HD1  LEU  35          3HD1      LEU  35   3.019   9.373   9.373
  302   1HD2  LEU  35          1HD2      LEU  35   5.878   6.706   6.706
  303   2HD2  LEU  35          3HD2      LEU  35   4.263   6.669   6.669
  304   3HD2  LEU  35          2HD2      LEU  35   4.453   6.766   6.766
  305    H    ILE  36           H        ILE  36   8.622   8.839   8.839
  306    HA   ILE  36           HA       ILE  36   9.520   6.464   6.464
  307    HB   ILE  36           HB       ILE  36  10.931   7.466   7.466
  308   1HG1  ILE  36          2HG1      ILE  36   8.715   8.084   8.084
  309   2HG1  ILE  36          1HG1      ILE  36   9.010   6.498   6.498
  310   1HG2  ILE  36          3HG2      ILE  36  11.090   5.197   5.197
  311   2HG2  ILE  36          2HG2      ILE  36   9.655   4.795   4.795
  312   3HG2  ILE  36          1HG2      ILE  36  11.159   5.223   5.223
  313   1HD1  ILE  36          2HD1      ILE  36   7.935   6.183   6.183
  314   2HD1  ILE  36          1HD1      ILE  36   6.889   7.235   7.235
  315   3HD1  ILE  36          3HD1      ILE  36   7.279   5.620   5.620
  316    H    ASN  37           H        ASN  37  10.859   9.620   9.620
  317    HA   ASN  37           HA       ASN  37  13.481   9.042   9.042
  318   1HB   ASN  37          2HB       ASN  37  12.269  11.635  11.635
  319   2HB   ASN  37          1HB       ASN  37  13.982  11.270  11.270
  320   1HD2  ASN  37          2HD2      ASN  37  13.933  10.502  10.502
  321   2HD2  ASN  37          1HD2      ASN  37  14.491  11.571  11.571
  322    H    ASN  38           H        ASN  38  10.559   9.655   9.655
  323    HA   ASN  38           HA       ASN  38  11.551  11.586  11.586
  324   1HB   ASN  38          2HB       ASN  38   9.003  10.469  10.469
  325   2HB   ASN  38          1HB       ASN  38   9.059  10.697  10.697
  326   1HD2  ASN  38          2HD2      ASN  38   7.937  13.945  13.945
  327   2HD2  ASN  38          1HD2      ASN  38   7.307  12.381  12.381
  328    H    GLU  39           H        GLU  39  10.651   8.179   8.179
  329    HA   GLU  39           HA       GLU  39  11.528   7.680   7.680
  330   1HB   GLU  39          2HB       GLU  39  10.015   5.858   5.858
  331   2HB   GLU  39          1HB       GLU  39  10.055   5.820   5.820
  332   1HG   GLU  39          2HG       GLU  39   8.096   6.961   6.961
  333   2HG   GLU  39          1HG       GLU  39   9.129   8.354   8.354
  334    H    LEU  40           H        LEU  40  11.672   6.281   6.281
  335    HA   LEU  40           HA       LEU  40  13.901   4.515   4.515
  336   1HB   LEU  40          2HB       LEU  40  12.236   5.237   5.237
  337   2HB   LEU  40          1HB       LEU  40  13.780   4.434   4.434
  338    HG   LEU  40           HG       LEU  40  12.517   3.068   3.068
  339   1HD1  LEU  40          2HD1      LEU  40  10.686   3.861   3.861
  340   2HD1  LEU  40          1HD1      LEU  40  10.501   2.279   2.279
  341   3HD1  LEU  40          3HD1      LEU  40  10.343   3.746   3.746
  342   1HD2  LEU  40          2HD2      LEU  40  13.974   2.482   2.482
  343   2HD2  LEU  40          1HD2      LEU  40  13.166   1.272   1.272
  344   3HD2  LEU  40          3HD2      LEU  40  12.381   1.883   1.883
  345    H    SER  41           H        SER  41  14.862   6.854   6.854
  346    HA   SER  41           HA       SER  41  15.943   8.848   8.848
  347   1HB   SER  41          2HB       SER  41  17.249   7.055   7.055
  348   2HB   SER  41          1HB       SER  41  18.015   8.532   8.532
  349    HG   SER  41           HG       SER  41  16.580   8.617   8.617
  350    H    HIS  42           H        HIS  42  17.278   5.524   5.524
  351    HA   HIS  42           HA       HIS  42  19.543   5.821   5.821
  352   1HB   HIS  42          2HB       HIS  42  18.107   3.767   3.767
  353   2HB   HIS  42          1HB       HIS  42  17.704   3.583   3.583
  354    HD1  HIS  42           HD1      HIS  42  20.449   3.113   3.113
  355    HD2  HIS  42           HD2      HIS  42  20.026   3.157   3.157
  356    HE1  HIS  42           HE1      HIS  42  22.571   2.105   2.105
  357    H    PHE  43           H        PHE  43  16.155   5.963   5.963
  358    HA   PHE  43           HA       PHE  43  16.676   5.880   5.880
  359   1HB   PHE  43          2HB       PHE  43  14.378   6.489   6.489
  360   2HB   PHE  43          1HB       PHE  43  14.239   6.895   6.895
  361    HD1  PHE  43           HD2      PHE  43  15.828   4.042   4.042
  362    HD2  PHE  43           HD1      PHE  43  12.985   5.303   5.303
  363    HE1  PHE  43           HE2      PHE  43  15.323   1.666   1.666
  364    HE2  PHE  43           HE1      PHE  43  12.496   2.922   2.922
  365    HZ   PHE  43           HZ       PHE  43  13.661   1.110   1.110
  366    H    LEU  44           H        LEU  44  16.736   8.349   8.349
  367    HA   LEU  44           HA       LEU  44  16.224  10.713  10.713
  368   1HB   LEU  44          2HB       LEU  44  17.113  10.090  10.090
  369   2HB   LEU  44          1HB       LEU  44  18.665  10.517  10.517
  370    HG   LEU  44           HG       LEU  44  17.277  12.613  12.613
  371   1HD1  LEU  44          1HD1      LEU  44  15.433  11.287  11.287
  372   2HD1  LEU  44          3HD1      LEU  44  15.941  12.753  12.753
  373   3HD1  LEU  44          2HD1      LEU  44  15.241  12.858  12.858
  374   1HD2  LEU  44          1HD2      LEU  44  18.724  12.041  12.041
  375   2HD2  LEU  44          3HD2      LEU  44  19.069  13.241  13.241
  376   3HD2  LEU  44          2HD2      LEU  44  17.810  13.550  13.550
  377    H    GLU  45           H        GLU  45  18.956   8.552   8.552
  378    HA   GLU  45           HA       GLU  45  20.486  10.147  10.147
  379   1HB   GLU  45          2HB       GLU  45  20.843   7.997   7.997
  380   2HB   GLU  45          1HB       GLU  45  21.663   7.650   7.650
  381   1HG   GLU  45          2HG       GLU  45  23.333   8.951   8.951
  382   2HG   GLU  45          1HG       GLU  45  22.288  10.301  10.301
  383    H    GLU  46           H        GLU  46  18.459   7.289   7.289
  384    HA   GLU  46           HA       GLU  46  17.455   5.922   5.922
  385   1HB   GLU  46          2HB       GLU  46  17.281   8.436   8.436
  386   2HB   GLU  46          1HB       GLU  46  18.400   7.886   7.886
  387   1HG   GLU  46          2HG       GLU  46  16.664   6.991   6.991
  388   2HG   GLU  46          1HG       GLU  46  16.392   5.894   5.894
  389    H    ILE  47           H        ILE  47  20.249   7.386   7.386
  390    HA   ILE  47           HA       ILE  47  21.122   5.360   5.360
  391    HB   ILE  47           HB       ILE  47  22.123   7.665   7.665
  392   1HG1  ILE  47          2HG1      ILE  47  23.113   6.141   6.141
  393   2HG1  ILE  47          1HG1      ILE  47  24.367   6.987   6.987
  394   1HG2  ILE  47          2HG2      ILE  47  23.532   5.886   5.886
  395   2HG2  ILE  47          1HG2      ILE  47  24.019   7.537   7.537
  396   3HG2  ILE  47          3HG2      ILE  47  22.457   7.233   7.233
  397   1HD1  ILE  47          1HD1      ILE  47  24.130   4.837   4.837
  398   2HD1  ILE  47          3HD1      ILE  47  23.597   4.107   4.107
  399   3HD1  ILE  47          2HD1      ILE  47  25.195   4.843   4.843
  400    H    LYS  48           H        LYS  48  21.495   5.501   5.501
  401    HA   LYS  48           HA       LYS  48  23.269   3.521   3.521
  402   1HB   LYS  48          2HB       LYS  48  20.449   3.894   3.894
  403   2HB   LYS  48          1HB       LYS  48  21.791   3.156   3.156
  404   1HG   LYS  48          2HG       LYS  48  22.232   5.888   5.888
  405   2HG   LYS  48          1HG       LYS  48  21.182   5.747   5.747
  406   1HD   LYS  48          2HD       LYS  48  23.231   4.106   4.106
  407   2HD   LYS  48          1HD       LYS  48  24.084   5.324   5.324
  408   1HE   LYS  48          2HE       LYS  48  22.254   6.759   6.759
  409   2HE   LYS  48          1HE       LYS  48  23.031   5.569   5.569
  410   1HZ   LYS  48          1HZ       LYS  48  24.642   7.040   7.040
  411   2HZ   LYS  48          3HZ       LYS  48  24.240   7.791   7.791
  412   3HZ   LYS  48          2HZ       LYS  48  25.125   6.341   6.341
  413    H    GLU  49           H        GLU  49  20.189   3.126   3.126
  414    HA   GLU  49           HA       GLU  49  20.759   0.227   0.227
  415   1HB   GLU  49          2HB       GLU  49  18.036   0.253   0.253
  416   2HB   GLU  49          1HB       GLU  49  19.206  -0.174  -0.174
  417   1HG   GLU  49          2HG       GLU  49  18.676   2.735   2.735
  418   2HG   GLU  49          1HG       GLU  49  17.321   1.772   1.772
  419    H    GLN  50           H        GLN  50  21.194   0.674   0.674
  420    HA   GLN  50           HA       GLN  50  19.667   2.275   2.275
  421   1HB   GLN  50          2HB       GLN  50  21.656   0.104   0.104
  422   2HB   GLN  50          1HB       GLN  50  20.632   0.194   0.194
  423   1HG   GLN  50          2HG       GLN  50  22.255   2.461   2.461
  424   2HG   GLN  50          1HG       GLN  50  22.591   1.615   1.615
  425   1HE2  GLN  50          2HE2      GLN  50  19.230   3.033   3.033
  426   2HE2  GLN  50          1HE2      GLN  50  19.648   1.467   1.467
  427    H    GLU  51           H        GLU  51  19.539  -1.312  -1.312
  428    HA   GLU  51           HA       GLU  51  17.356  -1.840  -1.840
  429   1HB   GLU  51          2HB       GLU  51  18.746  -3.467  -3.467
  430   2HB   GLU  51          1HB       GLU  51  17.868  -3.012  -3.012
  431   1HG   GLU  51          2HG       GLU  51  15.769  -3.539  -3.539
  432   2HG   GLU  51          1HG       GLU  51  16.954  -4.613  -4.613
  433    H    VAL  52           H        VAL  52  17.237  -0.538  -0.538
  434    HA   VAL  52           HA       VAL  52  14.320  -0.621  -0.621
  435    HB   VAL  52           HB       VAL  52  16.413   0.870   0.870
  436   1HG1  VAL  52          1HG1      VAL  52  13.472   0.652   0.652
  437   2HG1  VAL  52          3HG1      VAL  52  14.297   0.308   0.308
  438   3HG1  VAL  52          2HG1      VAL  52  14.546   1.856   1.856
  439   1HG2  VAL  52          3HG2      VAL  52  16.558  -1.689  -1.689
  440   2HG2  VAL  52          2HG2      VAL  52  16.437  -1.019  -1.019
  441   3HG2  VAL  52          1HG2      VAL  52  15.018  -1.723  -1.723
  442    H    VAL  53           H        VAL  53  16.803   1.797   1.797
  443    HA   VAL  53           HA       VAL  53  15.106   4.088   4.088
  444    HB   VAL  53           HB       VAL  53  17.699   3.219   3.219
  445   1HG1  VAL  53          1HG1      VAL  53  16.419   4.881   4.881
  446   2HG1  VAL  53          3HG1      VAL  53  16.482   5.994   5.994
  447   3HG1  VAL  53          2HG1      VAL  53  17.974   5.477   5.477
  448   1HG2  VAL  53          2HG2      VAL  53  16.953   4.342   4.342
  449   2HG2  VAL  53          1HG2      VAL  53  18.552   3.853   3.853
  450   3HG2  VAL  53          3HG2      VAL  53  17.971   5.490   5.490
  451    H    ASP  54           H        ASP  54  15.821   1.369   1.369
  452    HA   ASP  54           HA       ASP  54  14.570   2.411   2.411
  453   1HB   ASP  54          2HB       ASP  54  16.178   0.708   0.708
  454   2HB   ASP  54          1HB       ASP  54  15.542  -0.233  -0.233
  455    H    LYS  55           H        LYS  55  13.613   0.253   0.253
  456    HA   LYS  55           HA       LYS  55  10.905  -0.181  -0.181
  457   1HB   LYS  55          2HB       LYS  55  12.520  -0.730  -0.730
  458   2HB   LYS  55          1HB       LYS  55  10.779  -1.008  -1.008
  459   1HG   LYS  55          2HG       LYS  55  12.344  -2.975  -2.975
  460   2HG   LYS  55          1HG       LYS  55  10.902  -2.677  -2.677
  461   1HD   LYS  55          2HD       LYS  55  12.160  -1.607  -1.607
  462   2HD   LYS  55          1HD       LYS  55  13.591  -1.490  -1.490
  463   1HE   LYS  55          2HE       LYS  55  13.782  -3.349  -3.349
  464   2HE   LYS  55          1HE       LYS  55  13.795  -3.957  -3.957
  465   1HZ   LYS  55          2HZ       LYS  55  11.365  -3.703  -3.703
  466   2HZ   LYS  55          1HZ       LYS  55  12.198  -5.158  -5.158
  467   3HZ   LYS  55          3HZ       LYS  55  11.439  -4.356  -4.356
  468    H    VAL  56           H        VAL  56  12.037   1.356   1.356
  469    HA   VAL  56           HA       VAL  56   9.790   2.692   2.692
  470    HB   VAL  56           HB       VAL  56  12.685   3.586   3.586
  471   1HG1  VAL  56          3HG1      VAL  56  10.277   4.879   4.879
  472   2HG1  VAL  56          2HG1      VAL  56  11.809   4.953   4.953
  473   3HG1  VAL  56          1HG1      VAL  56  11.687   5.626   5.626
  474   1HG2  VAL  56          2HG2      VAL  56  11.875   1.463   1.463
  475   2HG2  VAL  56          1HG2      VAL  56  12.905   2.606   2.606
  476   3HG2  VAL  56          3HG2      VAL  56  11.167   2.601   2.601
  477    H    MET  57           H        MET  57  12.051   3.861   3.861
  478    HA   MET  57           HA       MET  57  10.436   6.238   6.238
  479   1HB   MET  57          2HB       MET  57  12.701   4.901   4.901
  480   2HB   MET  57          1HB       MET  57  12.124   6.547   6.547
  481   1HG   MET  57          2HG       MET  57  12.953   5.718   5.718
  482   2HG   MET  57          1HG       MET  57  14.200   6.104   6.104
  483   1HE   MET  57          3HE       MET  57  14.421   7.797   7.797
  484   2HE   MET  57          2HE       MET  57  13.412   9.230   9.230
  485   3HE   MET  57          1HE       MET  57  14.755   9.247   9.247
  486    H    GLU  58           H        GLU  58  10.528   2.932   2.932
  487    HA   GLU  58           HA       GLU  58   9.325   3.261   3.261
  488   1HB   GLU  58          2HB       GLU  58  10.037   1.116   1.116
  489   2HB   GLU  58          1HB       GLU  58  10.014   1.168   1.168
  490   1HG   GLU  58          2HG       GLU  58   8.450  -0.541  -0.541
  491   2HG   GLU  58          1HG       GLU  58   7.575   0.749   0.749
  492    H    THR  59           H        THR  59   7.843   2.430   2.430
  493    HA   THR  59           HA       THR  59   5.131   2.634   2.634
  494    HB   THR  59           HB       THR  59   6.355   2.724   2.724
  495    HG1  THR  59           HG1      THR  59   5.393   0.726   0.726
  496   1HG2  THR  59          1HG2      THR  59   3.494   2.581   2.581
  497   2HG2  THR  59          3HG2      THR  59   3.976   1.977   1.977
  498   3HG2  THR  59          2HG2      THR  59   4.198   3.680   3.680
  499    H    LEU  60           H        LEU  60   7.129   4.814   4.814
  500    HA   LEU  60           HA       LEU  60   5.250   6.922   6.922
  501   1HB   LEU  60          2HB       LEU  60   7.924   6.373   6.373
  502   2HB   LEU  60          1HB       LEU  60   7.996   7.833   7.833
  503    HG   LEU  60           HG       LEU  60   6.288   7.414   7.414
  504   1HD1  LEU  60          1HD1      LEU  60   8.815   7.896   7.896
  505   2HD1  LEU  60          3HD1      LEU  60   8.433   9.489   9.489
  506   3HD1  LEU  60          2HD1      LEU  60   7.721   8.971   8.971
  507   1HD2  LEU  60          1HD2      LEU  60   5.153   8.762   8.762
  508   2HD2  LEU  60          3HD2      LEU  60   5.539   9.721   9.721
  509   3HD2  LEU  60          2HD2      LEU  60   6.536   9.855   9.855
  510    H    ASP  61           H        ASP  61   7.557   6.159   6.159
  511    HA   ASP  61           HA       ASP  61   7.410   8.483   8.483
  512   1HB   ASP  61          2HB       ASP  61   8.857   6.670   6.670
  513   2HB   ASP  61          1HB       ASP  61   7.512   5.532   5.532
  514    H    SER  62           H        SER  62   5.099   5.783   5.783
  515    HA   SER  62           HA       SER  62   3.270   7.036   7.036
  516   1HB   SER  62          2HB       SER  62   2.000   4.932   4.932
  517   2HB   SER  62          1HB       SER  62   2.825   4.827   4.827
  518    HG   SER  62           HG       SER  62   3.656   3.353   3.353
  519    H    ASP  63           H        ASP  63   3.363   6.351   6.351
  520    HA   ASP  63           HA       ASP  63   1.905   7.095   7.095
  521   1HB   ASP  63          2HB       ASP  63   1.884   9.640   9.640
  522   2HB   ASP  63          1HB       ASP  63   3.477   8.898   8.898
  523    H    GLY  64           H        GLY  64   0.200   5.959   5.959
  524   1HA   GLY  64          2HA       GLY  64  -1.940   6.152   6.152
  525   2HA   GLY  64          1HA       GLY  64  -2.307   7.072   7.072
  526    H    ASP  65           H        ASP  65   0.166   8.103   8.103
  527    HA   ASP  65           HA       ASP  65   0.432  10.342  10.342
  528   1HB   ASP  65          2HB       ASP  65   0.038   8.660   8.660
  529   2HB   ASP  65          1HB       ASP  65  -1.689   9.013   9.013
  530    H    GLY  66           H        GLY  66  -0.498  11.719  11.719
  531   1HA   GLY  66          2HA       GLY  66  -2.110  13.719  13.719
  532   2HA   GLY  66          1HA       GLY  66  -3.348  12.461  12.461
  533    H    GLU  67           H        GLU  67  -4.235  12.087  12.087
  534    HA   GLU  67           HA       GLU  67  -2.883  13.185  13.185
  535   1HB   GLU  67          2HB       GLU  67  -5.139  13.429  13.429
  536   2HB   GLU  67          1HB       GLU  67  -5.129  13.997  13.997
  537   1HG   GLU  67          2HG       GLU  67  -5.868  11.694  11.694
  538   2HG   GLU  67          1HG       GLU  67  -6.064  11.299  11.299
  539    H    CYS  68           H        CYS  68  -2.241  11.724  11.724
  540    HA   CYS  68           HA       CYS  68  -3.088   8.868   8.868
  541   1HB   CYS  68          2HB       CYS  68  -0.850  10.095  10.095
  542   2HB   CYS  68          1HB       CYS  68  -1.067   8.385   8.385
  543    HG   CYS  68           HG       CYS  68  -0.847  10.041  10.041
  544    H    ASP  69           H        ASP  69  -4.511   8.065   8.065
  545    HA   ASP  69           HA       ASP  69  -4.939   9.757   9.757
  546   1HB   ASP  69          2HB       ASP  69  -6.735   7.768   7.768
  547   2HB   ASP  69          1HB       ASP  69  -7.179   8.740   8.740
  548    H    PHE  70           H        PHE  70  -5.360   8.751   8.751
  549    HA   PHE  70           HA       PHE  70  -4.085   7.339   7.339
  550   1HB   PHE  70          2HB       PHE  70  -6.788   6.432   6.432
  551   2HB   PHE  70          1HB       PHE  70  -6.015   5.789   5.789
  552    HD1  PHE  70           HD2      PHE  70  -4.512   8.438   8.438
  553    HD2  PHE  70           HD1      PHE  70  -8.605   7.551   7.551
  554    HE1  PHE  70           HE2      PHE  70  -5.232  10.421  10.421
  555    HE2  PHE  70           HE1      PHE  70  -9.330   9.526   9.526
  556    HZ   PHE  70           HZ       PHE  70  -7.624  10.973  10.973
  557    H    GLN  71           H        GLN  71  -5.756   5.003   5.003
  558    HA   GLN  71           HA       GLN  71  -4.210   2.781   2.781
  559   1HB   GLN  71          2HB       GLN  71  -4.910   2.045   2.045
  560   2HB   GLN  71          1HB       GLN  71  -6.214   2.732   2.732
  561   1HG   GLN  71          2HG       GLN  71  -6.516   3.866   3.866
  562   2HG   GLN  71          1HG       GLN  71  -5.475   4.988   4.988
  563   1HE2  GLN  71          2HE2      GLN  71  -3.642   4.799   4.799
  564   2HE2  GLN  71          1HE2      GLN  71  -4.866   5.674   5.674
  565    H    GLU  72           H        GLU  72  -3.213   5.456   5.456
  566    HA   GLU  72           HA       GLU  72  -1.083   4.097   4.097
  567   1HB   GLU  72          2HB       GLU  72  -0.143   6.508   6.508
  568   2HB   GLU  72          1HB       GLU  72  -1.690   6.202   6.202
  569   1HG   GLU  72          2HG       GLU  72  -2.585   7.815   7.815
  570   2HG   GLU  72          1HG       GLU  72  -2.246   6.850   6.850
  571    H    PHE  73           H        PHE  73  -0.636   6.417   6.417
  572    HA   PHE  73           HA       PHE  73   1.969   6.041   6.041
  573   1HB   PHE  73          2HB       PHE  73   0.958   7.583   7.583
  574   2HB   PHE  73          1HB       PHE  73  -0.540   6.676   6.676
  575    HD1  PHE  73           HD2      PHE  73   2.937   5.799   5.799
  576    HD2  PHE  73           HD1      PHE  73  -1.109   6.333   6.333
  577    HE1  PHE  73           HE2      PHE  73   3.548   4.963   4.963
  578    HE2  PHE  73           HE1      PHE  73  -0.515   5.514   5.514
  579    HZ   PHE  73           HZ       PHE  73   1.817   4.818   4.818
  580    H    MET  74           H        MET  74  -0.613   3.991   3.991
  581    HA   MET  74           HA       MET  74   1.240   2.165   2.165
  582   1HB   MET  74          2HB       MET  74  -1.599   1.806   1.806
  583   2HB   MET  74          1HB       MET  74  -0.769   0.690   0.690
  584   1HG   MET  74          2HG       MET  74  -0.376   2.778   2.778
  585   2HG   MET  74          1HG       MET  74  -1.667   3.512   3.512
  586   1HE   MET  74          3HE       MET  74  -0.424   0.551   0.551
  587   2HE   MET  74          2HE       MET  74  -1.787  -0.204  -0.204
  588   3HE   MET  74          1HE       MET  74  -1.548  -0.474  -0.474
  589    H    ALA  75           H        ALA  75  -0.160   2.364   2.364
  590    HA   ALA  75           HA       ALA  75   0.666  -0.269  -0.269
  591   1HB   ALA  75          1HB       ALA  75  -0.339   2.298   2.298
  592   2HB   ALA  75          3HB       ALA  75   0.434   1.175   1.175
  593   3HB   ALA  75          2HB       ALA  75  -0.978   0.665   0.665
  594    H    PHE  76           H        PHE  76   1.829   2.786   2.786
  595    HA   PHE  76           HA       PHE  76   4.230   1.958   1.958
  596   1HB   PHE  76          2HB       PHE  76   3.126   4.177   4.177
  597   2HB   PHE  76          1HB       PHE  76   3.604   4.551   4.551
  598    HD1  PHE  76           HD1      PHE  76   5.313   3.040   3.040
  599    HD2  PHE  76           HD2      PHE  76   5.390   6.000   6.000
  600    HE1  PHE  76           HE1      PHE  76   7.514   3.828   3.828
  601    HE2  PHE  76           HE2      PHE  76   7.596   6.797   6.797
  602    HZ   PHE  76           HZ       PHE  76   8.660   5.710   5.710
  603    H    VAL  77           H        VAL  77   3.854   3.399   3.399
  604    HA   VAL  77           HA       VAL  77   6.464   3.125   3.125
  605    HB   VAL  77           HB       VAL  77   4.272   3.916   3.916
  606   1HG1  VAL  77          1HG1      VAL  77   3.144   1.714   1.714
  607   2HG1  VAL  77          3HG1      VAL  77   4.315   1.032   1.032
  608   3HG1  VAL  77          2HG1      VAL  77   3.198   2.287   2.287
  609   1HG2  VAL  77          2HG2      VAL  77   6.467   2.398   2.398
  610   2HG2  VAL  77          1HG2      VAL  77   6.342   4.140   4.140
  611   3HG2  VAL  77          3HG2      VAL  77   5.244   3.326   3.326
  612    H    ALA  78           H        ALA  78   3.983   0.603   0.603
  613    HA   ALA  78           HA       ALA  78   5.577  -1.554  -1.554
  614   1HB   ALA  78          1HB       ALA  78   2.988  -1.163  -1.163
  615   2HB   ALA  78          3HB       ALA  78   3.662  -2.177  -2.177
  616   3HB   ALA  78          2HB       ALA  78   3.674  -2.740  -2.740
  617    H    MET  79           H        MET  79   5.038  -0.301  -0.301
  618    HA   MET  79           HA       MET  79   6.687  -2.166  -2.166
  619   1HB   MET  79          2HB       MET  79   5.023  -0.423  -0.423
  620   2HB   MET  79          1HB       MET  79   6.290   0.776   0.776
  621   1HG   MET  79          2HG       MET  79   6.722   0.218   0.218
  622   2HG   MET  79          1HG       MET  79   7.740  -0.969  -0.969
  623   1HE   MET  79          3HE       MET  79   7.662  -2.970  -2.970
  624   2HE   MET  79          2HE       MET  79   6.187  -3.884  -3.884
  625   3HE   MET  79          1HE       MET  79   7.003  -4.031  -4.031
  626    H    ILE  80           H        ILE  80   7.376   0.804   0.804
  627    HA   ILE  80           HA       ILE  80  10.105   1.203   1.203
  628    HB   ILE  80           HB       ILE  80   8.686   1.674   1.674
  629   1HG1  ILE  80          2HG1      ILE  80   7.573   2.626   2.626
  630   2HG1  ILE  80          1HG1      ILE  80   8.081   3.825   3.825
  631   1HG2  ILE  80          3HG2      ILE  80  11.304   1.862   1.862
  632   2HG2  ILE  80          2HG2      ILE  80  10.893   3.390   3.390
  633   3HG2  ILE  80          1HG2      ILE  80  10.406   3.089   3.089
  634   1HD1  ILE  80          3HD1      ILE  80  10.289   3.876   3.876
  635   2HD1  ILE  80          2HD1      ILE  80   9.249   3.206   3.206
  636   3HD1  ILE  80          1HD1      ILE  80   8.874   4.771   4.771
  637    H    THR  81           H        THR  81   8.942  -0.080  -0.080
  638    HA   THR  81           HA       THR  81  11.368  -1.254  -1.254
  639    HB   THR  81           HB       THR  81   8.513  -2.122  -2.122
  640    HG1  THR  81           HG1      THR  81  10.090   0.048   0.048
  641   1HG2  THR  81          1HG2      THR  81  10.578  -3.510  -3.510
  642   2HG2  THR  81          3HG2      THR  81  10.841  -2.168  -2.168
  643   3HG2  THR  81          2HG2      THR  81   9.338  -3.086  -3.086
  644    H    THR  82           H        THR  82   8.767  -2.657  -2.657
  645    HA   THR  82           HA       THR  82   9.722  -5.361  -5.361
  646    HB   THR  82           HB       THR  82   8.431  -5.362  -5.362
  647    HG1  THR  82           HG1      THR  82   8.545  -3.264  -3.264
  648   1HG2  THR  82          2HG2      THR  82   7.404  -4.773  -4.773
  649   2HG2  THR  82          1HG2      THR  82   6.252  -4.627  -4.627
  650   3HG2  THR  82          3HG2      THR  82   7.091  -6.152  -6.152
  651    H    ALA  83           H        ALA  83  10.935  -2.512  -2.512
  652    HA   ALA  83           HA       ALA  83  12.314  -3.797  -3.797
  653   1HB   ALA  83          3HB       ALA  83  11.530  -1.294  -1.294
  654   2HB   ALA  83          2HB       ALA  83  13.184  -1.195  -1.195
  655   3HB   ALA  83          1HB       ALA  83  12.887  -1.615  -1.615
  656    H    CYS  84           H        CYS  84  13.451  -2.325  -2.325
  657    HA   CYS  84           HA       CYS  84  16.150  -2.886  -2.886
  658   1HB   CYS  84          2HB       CYS  84  14.014  -2.832  -2.832
  659   2HB   CYS  84          1HB       CYS  84  15.580  -3.480  -3.480
  660    HG   CYS  84           HG       CYS  84  15.279  -0.616  -0.616
  661    H    HIS  85           H        HIS  85  14.392  -5.076  -5.076
  662    HA   HIS  85           HA       HIS  85  14.761  -7.487  -7.487
  663   1HB   HIS  85          2HB       HIS  85  16.740  -8.336  -8.336
  664   2HB   HIS  85          1HB       HIS  85  17.123  -6.832  -6.832
  665    HD1  HIS  85           HD1      HIS  85  18.965  -7.276  -7.276
  666    HD2  HIS  85           HD2      HIS  85  15.216  -5.577  -5.577
  667    HE1  HIS  85           HE1      HIS  85  19.120  -6.040  -6.040
  668    H    GLU  86           H        GLU  86  15.662  -8.809  -8.809
  669    HA   GLU  86           HA       GLU  86  14.617  -9.657  -9.657
  670   1HB   GLU  86          2HB       GLU  86  14.064  -6.994  -6.994
  671   2HB   GLU  86          1HB       GLU  86  12.430  -7.654  -7.654
  672   1HG   GLU  86          2HG       GLU  86  12.485  -8.171  -8.171
  673   2HG   GLU  86          1HG       GLU  86  13.964  -9.106  -9.106
  674    H    PHE  87           H        PHE  87  12.192 -10.304 -10.304
  675    HA   PHE  87           HA       PHE  87  11.137 -12.337 -12.337
  676   1HB   PHE  87          2HB       PHE  87   9.135 -11.967 -11.967
  677   2HB   PHE  87          1HB       PHE  87  10.354 -11.120 -11.120
  678    HD1  PHE  87           HD1      PHE  87  10.899  -8.676  -8.676
  679    HD2  PHE  87           HD2      PHE  87   7.161 -10.712 -10.712
  680    HE1  PHE  87           HE1      PHE  87   9.784  -6.525  -6.525
  681    HE2  PHE  87           HE2      PHE  87   6.104  -8.542  -8.542
  682    HZ   PHE  87           HZ       PHE  87   7.395  -6.490  -6.490
  683    H    PHE  88           H        PHE  88  10.794  -8.915  -8.915
  684    HA   PHE  88           HA       PHE  88   8.589  -9.101  -9.101
  685   1HB   PHE  88          2HB       PHE  88  10.812  -7.281  -7.281
  686   2HB   PHE  88          1HB       PHE  88  10.114  -7.139  -7.139
  687    HD1  PHE  88           HD1      PHE  88   7.233  -8.030  -8.030
  688    HD2  PHE  88           HD2      PHE  88   9.998  -5.092  -5.092
  689    HE1  PHE  88           HE1      PHE  88   5.338  -6.734  -6.734
  690    HE2  PHE  88           HE2      PHE  88   8.090  -3.742  -3.742
  691    HZ   PHE  88           HZ       PHE  88   5.765  -4.548  -4.548
  692    H    GLU  89           H        GLU  89   9.074 -11.168 -11.168
  693    HA   GLU  89           HA       GLU  89   9.580 -12.238 -12.238
  694   1HB   GLU  89          2HB       GLU  89   9.511  -9.548  -9.548
  695   2HB   GLU  89          1HB       GLU  89  11.160  -9.950  -9.950
  696   1HG   GLU  89          2HG       GLU  89   8.897 -11.712 -11.712
  697   2HG   GLU  89          1HG       GLU  89   9.201 -10.196 -10.196
  698    H    HIS  90           H        HIS  90  11.146 -13.779 -13.779
  699    HA   HIS  90           HA       HIS  90  13.245 -14.815 -14.815
  700   1HB   HIS  90          2HB       HIS  90  13.460 -12.757 -12.757
  701   2HB   HIS  90          1HB       HIS  90  14.641 -12.256 -12.256
  702    HD1  HIS  90           HD1      HIS  90  14.275 -14.424 -14.424
  703    HD2  HIS  90           HD2      HIS  90  16.561 -14.504 -14.504
  704    HE1  HIS  90           HE1      HIS  90  16.149 -16.077 -16.077
  705    H    GLU  91           H        GLU  91  11.965 -12.960 -12.960
  706    HA   GLU  91           HA       GLU  91  12.594 -12.074 -12.074
  707   1HB   GLU  91          2HB       GLU  91  12.877 -14.667 -14.667
  708   2HB   GLU  91          1HB       GLU  91  14.606 -14.319 -14.319
  709   1HG   GLU  91          2HG       GLU  91  13.697 -12.694 -12.694
  710   2HG   GLU  91          1HG       GLU  91  12.626 -14.087 -14.087
  711   1H    MET   0          2H        MET   0   6.471   8.913   8.913
  712   2H    MET   0          1H        MET   0   7.958   9.075   9.075
  713   3H    MET   0          3H        MET   0   6.845  10.356  10.356
  714    HA   MET   0           HA       MET   0   7.178  10.811  10.811
  715   1HB   MET   0          2HB       MET   0   8.855  11.508  11.508
  716   2HB   MET   0          1HB       MET   0   9.843  10.133  10.133
  717   1HG   MET   0          2HG       MET   0   9.635  11.100  11.100
  718   2HG   MET   0          1HG       MET   0   9.103  12.582  12.582
  719   1HE   MET   0          1HE       MET   0  11.510  11.037  11.037
  720   2HE   MET   0          3HE       MET   0  13.117  11.496  11.496
  721   3HE   MET   0          2HE       MET   0  12.311  10.076  10.076
  722    H    SER   1           H        SER   1   9.486   8.186   8.186
  723    HA   SER   1           HA       SER   1   9.505   7.279   7.279
  724   1HB   SER   1          2HB       SER   1  10.873   6.371   6.371
  725   2HB   SER   1          1HB       SER   1  11.194   5.680   5.680
  726    HG   SER   1           HG       SER   1  12.585   7.482   7.482
  727    H    GLU   2           H        GLU   2   7.253   6.935   6.935
  728    HA   GLU   2           HA       GLU   2   6.739   4.303   4.303
  729   1HB   GLU   2          2HB       GLU   2   5.168   6.698   6.698
  730   2HB   GLU   2          1HB       GLU   2   4.285   5.175   5.175
  731   1HG   GLU   2          2HG       GLU   2   5.449   4.755   4.755
  732   2HG   GLU   2          1HG       GLU   2   5.441   6.518   6.518
  733    H    LEU   3           H        LEU   3   6.723   5.723   5.723
  734    HA   LEU   3           HA       LEU   3   5.333   3.518   3.518
  735   1HB   LEU   3          2HB       LEU   3   7.205   5.613   5.613
  736   2HB   LEU   3          1HB       LEU   3   5.949   4.735   4.735
  737    HG   LEU   3           HG       LEU   3   5.242   6.389   6.389
  738   1HD1  LEU   3          2HD1      LEU   3   5.840   7.323   7.323
  739   2HD1  LEU   3          1HD1      LEU   3   4.618   8.146   8.146
  740   3HD1  LEU   3          3HD1      LEU   3   6.288   8.067   8.067
  741   1HD2  LEU   3          1HD2      LEU   3   3.859   4.722   4.722
  742   2HD2  LEU   3          3HD2      LEU   3   3.150   5.812   5.812
  743   3HD2  LEU   3          2HD2      LEU   3   3.423   6.368   6.368
  744    H    GLU   4           H        GLU   4   8.744   4.614   4.614
  745    HA   GLU   4           HA       GLU   4   9.782   2.295   2.295
  746   1HB   GLU   4          2HB       GLU   4  11.054   4.356   4.356
  747   2HB   GLU   4          1HB       GLU   4  10.985   4.279   4.279
  748   1HG   GLU   4          2HG       GLU   4  12.104   1.862   1.862
  749   2HG   GLU   4          1HG       GLU   4  13.061   3.316   3.316
  750    H    LYS   5           H        LYS   5   9.464   3.117   3.117
  751    HA   LYS   5           HA       LYS   5  10.603   0.685   0.685
  752   1HB   LYS   5          2HB       LYS   5   8.451   2.392   2.392
  753   2HB   LYS   5          1HB       LYS   5   9.772   1.536   1.536
  754   1HG   LYS   5          2HG       LYS   5  10.909   3.338   3.338
  755   2HG   LYS   5          1HG       LYS   5   9.751   4.235   4.235
  756   1HD   LYS   5          2HD       LYS   5  10.841   3.592   3.592
  757   2HD   LYS   5          1HD       LYS   5  11.851   2.416   2.416
  758   1HE   LYS   5          2HE       LYS   5  12.654   4.510   4.510
  759   2HE   LYS   5          1HE       LYS   5  12.070   5.414   5.414
  760   1HZ   LYS   5          2HZ       LYS   5  13.351   3.929   3.929
  761   2HZ   LYS   5          1HZ       LYS   5  13.947   3.109   3.109
  762   3HZ   LYS   5          3HZ       LYS   5  14.365   4.731   4.731
  763    H    ALA   6           H        ALA   6   7.359   1.642   1.642
  764    HA   ALA   6           HA       ALA   6   6.068  -0.817  -0.817
  765   1HB   ALA   6          2HB       ALA   6   5.407   1.504   1.504
  766   2HB   ALA   6          1HB       ALA   6   4.317   0.122   0.122
  767   3HB   ALA   6          3HB       ALA   6   4.679   1.104   1.104
  768    H    VAL   7           H        VAL   7   7.572   0.471   0.471
  769    HA   VAL   7           HA       VAL   7   6.965  -1.479  -1.479
  770    HB   VAL   7           HB       VAL   7   8.925   0.616   0.616
  771   1HG1  VAL   7          2HG1      VAL   7   9.828  -1.859  -1.859
  772   2HG1  VAL   7          1HG1      VAL   7  10.331  -0.318  -0.318
  773   3HG1  VAL   7          3HG1      VAL   7  10.740  -0.708  -0.708
  774   1HG2  VAL   7          3HG2      VAL   7   7.538  -0.382  -0.382
  775   2HG2  VAL   7          2HG2      VAL   7   7.152   1.054   1.054
  776   3HG2  VAL   7          1HG2      VAL   7   8.638   0.998   0.998
  777    H    VAL   8           H        VAL   8   9.741  -1.325  -1.325
  778    HA   VAL   8           HA       VAL   8  10.816  -3.908  -3.908
  779    HB   VAL   8           HB       VAL   8  10.788  -1.988  -1.988
  780   1HG1  VAL   8          1HG1      VAL   8  10.924  -4.351  -4.351
  781   2HG1  VAL   8          3HG1      VAL   8  12.370  -4.573  -4.573
  782   3HG1  VAL   8          2HG1      VAL   8  12.368  -3.395  -3.395
  783   1HG2  VAL   8          1HG2      VAL   8  12.344  -2.378  -2.378
  784   2HG2  VAL   8          3HG2      VAL   8  12.524  -1.128  -1.128
  785   3HG2  VAL   8          2HG2      VAL   8  13.380  -2.661  -2.661
  786    H    ALA   9           H        ALA   9   8.160  -2.793  -2.793
  787    HA   ALA   9           HA       ALA   9   7.726  -5.272  -5.272
  788   1HB   ALA   9          1HB       ALA   9   6.700  -2.605  -2.605
  789   2HB   ALA   9          3HB       ALA   9   5.339  -3.714  -3.714
  790   3HB   ALA   9          2HB       ALA   9   6.390  -3.816  -3.816
  791    H    LEU  10           H        LEU  10   6.588  -3.926  -3.926
  792    HA   LEU  10           HA       LEU  10   4.477  -5.795  -5.795
  793   1HB   LEU  10          2HB       LEU  10   6.287  -4.712  -4.712
  794   2HB   LEU  10          1HB       LEU  10   4.552  -4.995  -4.995
  795    HG   LEU  10           HG       LEU  10   6.029  -2.782  -2.782
  796   1HD1  LEU  10          3HD1      LEU  10   4.372  -3.074  -3.074
  797   2HD1  LEU  10          2HD1      LEU  10   3.790  -1.800  -1.800
  798   3HD1  LEU  10          1HD1      LEU  10   5.445  -1.755  -1.755
  799   1HD2  LEU  10          1HD2      LEU  10   4.296  -3.841  -3.841
  800   2HD2  LEU  10          3HD2      LEU  10   3.973  -2.154  -2.154
  801   3HD2  LEU  10          2HD2      LEU  10   3.088  -3.442  -3.442
  802    H    ILE  11           H        ILE  11   8.002  -5.937  -5.937
  803    HA   ILE  11           HA       ILE  11   8.070  -8.380  -8.380
  804    HB   ILE  11           HB       ILE  11  10.345  -8.512  -8.512
  805   1HG1  ILE  11          2HG1      ILE  11  10.799  -6.874  -6.874
  806   2HG1  ILE  11          1HG1      ILE  11   9.235  -7.583  -7.583
  807   1HG2  ILE  11          1HG2      ILE  11   9.235  -5.970  -5.970
  808   2HG2  ILE  11          3HG2      ILE  11  10.492  -5.698  -5.698
  809   3HG2  ILE  11          2HG2      ILE  11  10.871  -6.544  -6.544
  810   1HD1  ILE  11          3HD1      ILE  11  11.183  -9.493  -9.493
  811   2HD1  ILE  11          2HD1      ILE  11  11.642  -8.819  -8.819
  812   3HD1  ILE  11          1HD1      ILE  11  10.106  -9.670  -9.670
  813    H    ASP  12           H        ASP  12   7.330  -7.663  -7.663
  814    HA   ASP  12           HA       ASP  12   7.363 -10.435 -10.435
  815   1HB   ASP  12          2HB       ASP  12   7.305  -7.778  -7.778
  816   2HB   ASP  12          1HB       ASP  12   5.797  -8.540  -8.540
  817    H    VAL  13           H        VAL  13   4.965  -7.971  -7.971
  818    HA   VAL  13           HA       VAL  13   2.619  -9.557  -9.557
  819    HB   VAL  13           HB       VAL  13   3.129  -7.281  -7.281
  820   1HG1  VAL  13          3HG1      VAL  13   0.893  -8.837  -8.837
  821   2HG1  VAL  13          2HG1      VAL  13   0.551  -7.569  -7.569
  822   3HG1  VAL  13          1HG1      VAL  13   0.868  -7.148  -7.148
  823   1HG2  VAL  13          1HG2      VAL  13   3.407  -7.341  -7.341
  824   2HG2  VAL  13          3HG2      VAL  13   3.315  -5.908  -5.908
  825   3HG2  VAL  13          2HG2      VAL  13   1.848  -6.576  -6.576
  826    H    PHE  14           H        PHE  14   4.015  -8.621  -8.621
  827    HA   PHE  14           HA       PHE  14   2.511 -10.499 -10.499
  828   1HB   PHE  14          2HB       PHE  14   4.704  -8.715  -8.715
  829   2HB   PHE  14          1HB       PHE  14   5.099 -10.290 -10.290
  830    HD1  PHE  14           HD2      PHE  14   3.321 -11.469 -11.469
  831    HD2  PHE  14           HD1      PHE  14   3.140  -7.323  -7.323
  832    HE1  PHE  14           HE2      PHE  14   1.678 -11.086 -11.086
  833    HE2  PHE  14           HE1      PHE  14   1.502  -6.930  -6.930
  834    HZ   PHE  14           HZ       PHE  14   0.767  -8.807  -8.807
  835    H    HIS  15           H        HIS  15   5.785 -10.908 -10.908
  836    HA   HIS  15           HA       HIS  15   6.460 -13.456 -13.456
  837   1HB   HIS  15          2HB       HIS  15   7.900 -12.270 -12.270
  838   2HB   HIS  15          1HB       HIS  15   6.636 -12.112 -12.112
  839    HD1  HIS  15           HD1      HIS  15   8.532 -14.925 -14.925
  840    HD2  HIS  15           HD2      HIS  15   6.798 -14.073 -14.073
  841    HE1  HIS  15           HE1      HIS  15   9.031 -16.904 -16.904
  842    H    GLN  16           H        GLN  16   4.110 -12.598 -12.598
  843    HA   GLN  16           HA       GLN  16   3.438 -15.331 -15.331
  844   1HB   GLN  16          2HB       GLN  16   2.021 -12.664 -12.664
  845   2HB   GLN  16          1HB       GLN  16   1.508 -14.155 -14.155
  846   1HG   GLN  16          2HG       GLN  16   4.365 -13.526 -13.526
  847   2HG   GLN  16          1HG       GLN  16   3.270 -12.347 -12.347
  848   1HE2  GLN  16          2HE2      GLN  16   1.726 -14.948 -14.948
  849   2HE2  GLN  16          1HE2      GLN  16   1.212 -13.723 -13.723
  850    H    TYR  17           H        TYR  17   1.207 -12.934 -12.934
  851    HA   TYR  17           HA       TYR  17  -0.758 -14.512 -14.512
  852   1HB   TYR  17          2HB       TYR  17   0.640 -12.073 -12.073
  853   2HB   TYR  17          1HB       TYR  17  -0.797 -12.740 -12.740
  854    HD1  TYR  17           HD2      TYR  17   0.521 -11.110 -11.110
  855    HD2  TYR  17           HD1      TYR  17  -2.967 -12.716 -12.716
  856    HE1  TYR  17           HE2      TYR  17  -0.913 -10.028 -10.028
  857    HE2  TYR  17           HE1      TYR  17  -4.405 -11.645 -11.645
  858    HH   TYR  17           HH       TYR  17  -3.006 -10.034 -10.034
  859    H    SER  18           H        SER  18   1.880 -13.490 -13.490
  860    HA   SER  18           HA       SER  18   1.300 -15.443 -15.443
  861   1HB   SER  18          2HB       SER  18   3.811 -13.918 -13.918
  862   2HB   SER  18          1HB       SER  18   3.627 -14.840 -14.840
  863    HG   SER  18           HG       SER  18   1.826 -12.816 -12.816
  864    H    GLY  19           H        GLY  19   2.672 -15.917 -15.917
  865   1HA   GLY  19          2HA       GLY  19   3.550 -18.633 -18.633
  866   2HA   GLY  19          1HA       GLY  19   4.682 -17.632 -17.632
  867    H    ARG  20           H        ARG  20   1.159 -17.878 -17.878
  868    HA   ARG  20           HA       ARG  20   1.726 -19.033 -19.033
  869   1HB   ARG  20          2HB       ARG  20  -0.106 -17.598 -17.598
  870   2HB   ARG  20          1HB       ARG  20   1.119 -16.619 -16.619
  871   1HG   ARG  20          2HG       ARG  20  -0.208 -16.303 -16.303
  872   2HG   ARG  20          1HG       ARG  20  -1.229 -17.693 -17.693
  873   1HD   ARG  20          2HD       ARG  20  -1.167 -15.408 -15.408
  874   2HD   ARG  20          1HD       ARG  20  -2.140 -15.257 -15.257
  875    HE   ARG  20           HE       ARG  20  -3.173 -17.494 -17.494
  876   1HH1  ARG  20          2HH1      ARG  20  -2.707 -14.853 -14.853
  877   2HH1  ARG  20          1HH1      ARG  20  -3.141 -15.675 -15.675
  878   1HH2  ARG  20          1HH2      ARG  20  -3.292 -18.804 -18.804
  879   2HH2  ARG  20          2HH2      ARG  20  -3.471 -17.910 -17.910
  880    H    GLU  21           H        GLU  21   0.489 -19.788 -19.788
  881    HA   GLU  21           HA       GLU  21  -1.460 -21.710 -21.710
  882   1HB   GLU  21          2HB       GLU  21  -2.103 -19.317 -19.317
  883   2HB   GLU  21          1HB       GLU  21  -2.450 -20.648 -20.648
  884   1HG   GLU  21          2HG       GLU  21  -3.630 -21.756 -21.756
  885   2HG   GLU  21          1HG       GLU  21  -3.582 -20.154 -20.154
  886    H    GLY  22           H        GLY  22   0.085 -20.604 -20.604
  887   1HA   GLY  22          2HA       GLY  22   1.482 -22.965 -22.965
  888   2HA   GLY  22          1HA       GLY  22  -0.110 -23.156 -23.156
  889    H    ASP  23           H        ASP  23   2.456 -20.664 -20.664
  890    HA   ASP  23           HA       ASP  23   2.491 -20.384 -20.384
  891   1HB   ASP  23          2HB       ASP  23   0.964 -18.657 -18.657
  892   2HB   ASP  23          1HB       ASP  23   2.059 -17.759 -17.759
  893    H    LYS  24           H        LYS  24   3.862 -18.053 -18.053
  894    HA   LYS  24           HA       LYS  24   6.245 -18.393 -18.393
  895   1HB   LYS  24          2HB       LYS  24   5.938 -17.745 -17.745
  896   2HB   LYS  24          1HB       LYS  24   7.470 -17.577 -17.577
  897   1HG   LYS  24          2HG       LYS  24   7.372 -19.962 -19.962
  898   2HG   LYS  24          1HG       LYS  24   5.849 -20.130 -20.130
  899   1HD   LYS  24          2HD       LYS  24   7.150 -20.712 -20.712
  900   2HD   LYS  24          1HD       LYS  24   7.470 -18.982 -18.982
  901   1HE   LYS  24          2HE       LYS  24   9.655 -19.373 -19.373
  902   2HE   LYS  24          1HE       LYS  24   9.205 -20.036 -20.036
  903   1HZ   LYS  24          1HZ       LYS  24   8.793 -21.634 -21.634
  904   2HZ   LYS  24          3HZ       LYS  24  10.331 -21.581 -21.581
  905   3HZ   LYS  24          2HZ       LYS  24   9.000 -22.160 -22.160
  906    H    HIS  25           H        HIS  25   5.497 -15.895 -15.895
  907    HA   HIS  25           HA       HIS  25   5.141 -13.879 -13.879
  908   1HB   HIS  25          2HB       HIS  25   7.368 -14.142 -14.142
  909   2HB   HIS  25          1HB       HIS  25   6.857 -12.528 -12.528
  910    HD1  HIS  25           HD1      HIS  25   9.626 -13.866 -13.866
  911    HD2  HIS  25           HD2      HIS  25   6.208 -13.680 -13.680
  912    HE1  HIS  25           HE1      HIS  25  10.410 -14.101 -14.101
  913    H    LYS  26           H        LYS  26   3.029 -14.620 -14.620
  914    HA   LYS  26           HA       LYS  26   2.408 -12.285 -12.285
  915   1HB   LYS  26          2HB       LYS  26   3.351 -14.319 -14.319
  916   2HB   LYS  26          1HB       LYS  26   1.783 -15.056 -15.056
  917   1HG   LYS  26          2HG       LYS  26   1.980 -12.270 -12.270
  918   2HG   LYS  26          1HG       LYS  26   2.048 -13.690 -13.690
  919   1HD   LYS  26          2HD       LYS  26  -0.174 -13.343 -13.343
  920   2HD   LYS  26          1HD       LYS  26  -0.273 -12.629 -12.629
  921   1HE   LYS  26          2HE       LYS  26  -1.241 -14.679 -14.679
  922   2HE   LYS  26          1HE       LYS  26   0.460 -15.132 -15.132
  923   1HZ   LYS  26          2HZ       LYS  26  -0.459 -15.138 -15.138
  924   2HZ   LYS  26          1HZ       LYS  26  -1.170 -16.324 -16.324
  925   3HZ   LYS  26          3HZ       LYS  26   0.514 -16.263 -16.263
  926    H    LEU  27           H        LEU  27   0.255 -11.708 -11.708
  927    HA   LEU  27           HA       LEU  27  -1.262 -13.308 -13.308
  928   1HB   LEU  27          2HB       LEU  27  -0.838 -10.587 -10.587
  929   2HB   LEU  27          1HB       LEU  27  -2.551 -10.922 -10.922
  930    HG   LEU  27           HG       LEU  27  -1.764 -10.146 -10.146
  931   1HD1  LEU  27          1HD1      LEU  27  -3.685 -12.196 -12.196
  932   2HD1  LEU  27          3HD1      LEU  27  -3.251 -12.269 -12.269
  933   3HD1  LEU  27          2HD1      LEU  27  -3.913 -10.782 -10.782
  934   1HD2  LEU  27          3HD2      LEU  27  -0.024 -12.261 -12.261
  935   2HD2  LEU  27          2HD2      LEU  27  -0.472 -11.498 -11.498
  936   3HD2  LEU  27          1HD2      LEU  27  -1.314 -12.951 -12.951
  937    H    LYS  28           H        LYS  28  -3.502 -13.853 -13.853
  938    HA   LYS  28           HA       LYS  28  -4.261 -14.061 -14.061
  939   1HB   LYS  28          2HB       LYS  28  -4.283 -15.987 -15.987
  940   2HB   LYS  28          1HB       LYS  28  -5.493 -16.171 -16.171
  941   1HG   LYS  28          2HG       LYS  28  -3.880 -16.586 -16.586
  942   2HG   LYS  28          1HG       LYS  28  -2.589 -15.838 -15.838
  943   1HD   LYS  28          2HD       LYS  28  -2.032 -17.869 -17.869
  944   2HD   LYS  28          1HD       LYS  28  -3.609 -17.965 -17.965
  945   1HE   LYS  28          2HE       LYS  28  -4.416 -18.631 -18.631
  946   2HE   LYS  28          1HE       LYS  28  -2.723 -19.137 -19.137
  947   1HZ   LYS  28          1HZ       LYS  28  -4.353 -19.831 -19.831
  948   2HZ   LYS  28          3HZ       LYS  28  -4.307 -20.826 -20.826
  949   3HZ   LYS  28          2HZ       LYS  28  -2.882 -20.516 -20.516
  950    H    LYS  29           H        LYS  29  -6.671 -14.087 -14.087
  951    HA   LYS  29           HA       LYS  29  -8.074 -12.007 -12.007
  952   1HB   LYS  29          2HB       LYS  29  -9.299 -14.590 -14.590
  953   2HB   LYS  29          1HB       LYS  29 -10.012 -12.979 -12.979
  954   1HG   LYS  29          2HG       LYS  29  -9.065 -12.591 -12.591
  955   2HG   LYS  29          1HG       LYS  29  -7.464 -12.894 -12.894
  956   1HD   LYS  29          2HD       LYS  29  -8.946 -15.371 -15.371
  957   2HD   LYS  29          1HD       LYS  29  -8.809 -14.488 -14.488
  958   1HE   LYS  29          2HE       LYS  29  -6.704 -15.323 -15.323
  959   2HE   LYS  29          1HE       LYS  29  -6.264 -14.280 -14.280
  960   1HZ   LYS  29          2HZ       LYS  29  -7.549 -16.219 -16.219
  961   2HZ   LYS  29          1HZ       LYS  29  -6.924 -17.117 -17.117
  962   3HZ   LYS  29          3HZ       LYS  29  -5.873 -16.262 -16.262
  963    H    SER  30           H        SER  30  -7.412 -15.192 -15.192
  964    HA   SER  30           HA       SER  30  -9.558 -15.056 -15.056
  965   1HB   SER  30          2HB       SER  30  -7.906 -17.203 -17.203
  966   2HB   SER  30          1HB       SER  30  -9.322 -17.259 -17.259
  967    HG   SER  30           HG       SER  30  -7.411 -18.031 -18.031
  968    H    GLU  31           H        GLU  31  -5.970 -15.089 -15.089
  969    HA   GLU  31           HA       GLU  31  -5.621 -14.822 -14.822
  970   1HB   GLU  31          2HB       GLU  31  -3.863 -13.852 -13.852
  971   2HB   GLU  31          1HB       GLU  31  -3.336 -14.192 -14.192
  972   1HG   GLU  31          2HG       GLU  31  -3.924 -16.550 -16.550
  973   2HG   GLU  31          1HG       GLU  31  -4.560 -16.241 -16.241
  974    H    LEU  32           H        LEU  32  -6.095 -12.437 -12.437
  975    HA   LEU  32           HA       LEU  32  -5.438 -10.060 -10.060
  976   1HB   LEU  32          2HB       LEU  32  -6.914 -10.941 -10.941
  977   2HB   LEU  32          1HB       LEU  32  -7.711  -9.558  -9.558
  978    HG   LEU  32           HG       LEU  32  -4.828  -9.727  -9.727
  979   1HD1  LEU  32          3HD1      LEU  32  -7.214  -8.059  -8.059
  980   2HD1  LEU  32          2HD1      LEU  32  -5.563  -7.752  -7.752
  981   3HD1  LEU  32          1HD1      LEU  32  -6.364  -9.263  -9.263
  982   1HD2  LEU  32          2HD2      LEU  32  -6.270  -7.785  -7.785
  983   2HD2  LEU  32          1HD2      LEU  32  -4.644  -8.449  -8.449
  984   3HD2  LEU  32          3HD2      LEU  32  -4.972  -7.211  -7.211
  985    H    LYS  33           H        LYS  33  -8.752 -11.403 -11.403
  986    HA   LYS  33           HA       LYS  33 -10.104  -9.767  -9.767
  987   1HB   LYS  33          2HB       LYS  33 -10.531 -12.169 -12.169
  988   2HB   LYS  33          1HB       LYS  33 -10.909 -12.546 -12.546
  989   1HG   LYS  33          2HG       LYS  33 -12.126 -10.396 -10.396
  990   2HG   LYS  33          1HG       LYS  33 -12.946 -11.726 -11.726
  991   1HD   LYS  33          2HD       LYS  33 -12.032 -10.640 -10.640
  992   2HD   LYS  33          1HD       LYS  33 -11.802  -9.204  -9.204
  993   1HE   LYS  33          2HE       LYS  33 -14.428 -10.691 -10.691
  994   2HE   LYS  33          1HE       LYS  33 -14.018  -9.109  -9.109
  995   1HZ   LYS  33          3HZ       LYS  33 -13.345  -8.775  -8.775
  996   2HZ   LYS  33          2HZ       LYS  33 -14.685  -9.807  -9.807
  997   3HZ   LYS  33          1HZ       LYS  33 -14.845  -8.323  -8.323
  998    H    GLU  34           H        GLU  34  -8.421 -12.846 -12.846
  999    HA   GLU  34           HA       GLU  34  -8.827 -12.910 -12.910
 1000   1HB   GLU  34          2HB       GLU  34  -7.350 -14.257 -14.257
 1001   2HB   GLU  34          1HB       GLU  34  -6.116 -13.618 -13.618
 1002   1HG   GLU  34          2HG       GLU  34  -6.858 -14.868 -14.868
 1003   2HG   GLU  34          1HG       GLU  34  -8.524 -14.908 -14.908
 1004    H    LEU  35           H        LEU  35  -6.737 -10.905 -10.905
 1005    HA   LEU  35           HA       LEU  35  -5.017  -9.965  -9.965
 1006   1HB   LEU  35          2HB       LEU  35  -4.917  -9.936  -9.936
 1007   2HB   LEU  35          1HB       LEU  35  -5.658  -8.353  -8.353
 1008    HG   LEU  35           HG       LEU  35  -3.462  -8.792  -8.792
 1009   1HD1  LEU  35          2HD1      LEU  35  -2.977  -9.995  -9.995
 1010   2HD1  LEU  35          1HD1      LEU  35  -2.398  -8.357  -8.357
 1011   3HD1  LEU  35          3HD1      LEU  35  -1.726  -9.294  -9.294
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.558  -6.622  -6.622
 1013   2HD2  LEU  35          3HD2      LEU  35  -2.821  -6.576  -6.576
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.956  -6.741  -6.741
 1015    H    ILE  36           H        ILE  36  -8.104  -8.808  -8.808
 1016    HA   ILE  36           HA       ILE  36  -8.039  -6.359  -6.359
 1017    HB   ILE  36           HB       ILE  36 -10.568  -7.439  -7.439
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.099  -8.102  -8.102
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.763  -6.543  -6.543
 1020   1HG2  ILE  36          3HG2      ILE  36 -10.002  -5.121  -5.121
 1021   2HG2  ILE  36          2HG2      ILE  36  -9.344  -4.767  -4.767
 1022   3HG2  ILE  36          1HG2      ILE  36 -11.042  -5.211  -5.211
 1023   1HD1  ILE  36          2HD1      ILE  36  -7.401  -6.121  -6.121
 1024   2HD1  ILE  36          1HD1      ILE  36  -7.036  -7.231  -7.231
 1025   3HD1  ILE  36          3HD1      ILE  36  -7.712  -5.642  -5.642
 1026    H    ASN  37           H        ASN  37  -9.612  -9.528  -9.528
 1027    HA   ASN  37           HA       ASN  37 -11.120  -8.864  -8.864
 1028   1HB   ASN  37          2HB       ASN  37 -10.610 -11.510 -11.510
 1029   2HB   ASN  37          1HB       ASN  37 -11.926 -11.114 -11.114
 1030   1HD2  ASN  37          2HD2      ASN  37 -13.843 -10.500 -10.500
 1031   2HD2  ASN  37          1HD2      ASN  37 -13.610 -11.516 -11.516
 1032    H    ASN  38           H        ASN  38  -7.886  -9.476  -9.476
 1033    HA   ASN  38           HA       ASN  38  -7.548 -11.311 -11.311
 1034   1HB   ASN  38          2HB       ASN  38  -6.005 -10.274 -10.274
 1035   2HB   ASN  38          1HB       ASN  38  -5.059 -10.419 -10.419
 1036   1HD2  ASN  38          2HD2      ASN  38  -4.828 -13.738 -13.738
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.230 -12.173 -12.173
 1038    H    GLU  39           H        GLU  39  -6.999  -7.929  -7.929
 1039    HA   GLU  39           HA       GLU  39  -6.123  -7.316  -7.316
 1040   1HB   GLU  39          2HB       GLU  39  -5.960  -5.584  -5.584
 1041   2HB   GLU  39          1HB       GLU  39  -4.996  -5.477  -5.477
 1042   1HG   GLU  39          2HG       GLU  39  -3.450  -6.640  -6.640
 1043   2HG   GLU  39          1HG       GLU  39  -4.466  -8.036  -8.036
 1044    H    LEU  40           H        LEU  40  -8.114  -6.022  -6.022
 1045    HA   LEU  40           HA       LEU  40  -9.587  -4.209  -4.209
 1046   1HB   LEU  40          2HB       LEU  40  -9.553  -5.046  -5.046
 1047   2HB   LEU  40          1HB       LEU  40 -10.997  -4.235  -4.235
 1048    HG   LEU  40           HG       LEU  40  -8.759  -2.798  -2.798
 1049   1HD1  LEU  40          2HD1      LEU  40  -8.509  -3.708  -3.708
 1050   2HD1  LEU  40          1HD1      LEU  40  -7.943  -2.101  -2.101
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.253  -3.531  -3.531
 1052   1HD2  LEU  40          2HD2      LEU  40 -11.235  -2.285  -2.285
 1053   2HD2  LEU  40          1HD2      LEU  40 -10.022  -1.048  -1.048
 1054   3HD2  LEU  40          3HD2      LEU  40 -10.183  -1.722  -1.722
 1055    H    SER  41           H        SER  41  -9.909  -6.509  -6.509
 1056    HA   SER  41           HA       SER  41 -11.620  -8.539  -8.539
 1057   1HB   SER  41          2HB       SER  41 -11.560  -6.654  -6.654
 1058   2HB   SER  41          1HB       SER  41 -12.503  -8.141  -8.141
 1059    HG   SER  41           HG       SER  41 -10.217  -8.169  -8.169
 1060    H    HIS  42           H        HIS  42 -12.735  -5.198  -5.198
 1061    HA   HIS  42           HA       HIS  42 -15.500  -5.529  -5.529
 1062   1HB   HIS  42          2HB       HIS  42 -13.754  -3.456  -3.456
 1063   2HB   HIS  42          1HB       HIS  42 -14.385  -3.343  -3.343
 1064    HD1  HIS  42           HD1      HIS  42 -15.285  -2.742  -2.742
 1065    HD2  HIS  42           HD2      HIS  42 -17.270  -2.955  -2.955
 1066    HE1  HIS  42           HE1      HIS  42 -17.582  -1.738  -1.738
 1067    H    PHE  43           H        PHE  43 -13.249  -5.743  -5.743
 1068    HA   PHE  43           HA       PHE  43 -15.299  -5.765  -5.765
 1069   1HB   PHE  43          2HB       PHE  43 -12.359  -6.344  -6.344
 1070   2HB   PHE  43          1HB       PHE  43 -13.216  -6.807  -6.807
 1071    HD1  PHE  43           HD2      PHE  43 -13.492  -3.869  -3.869
 1072    HD2  PHE  43           HD1      PHE  43 -12.832  -5.270  -5.270
 1073    HE1  PHE  43           HE2      PHE  43 -13.387  -1.520  -1.520
 1074    HE2  PHE  43           HE1      PHE  43 -12.745  -2.916  -2.916
 1075    HZ   PHE  43           HZ       PHE  43 -13.022  -1.047  -1.047
 1076    H    LEU  44           H        LEU  44 -13.911  -8.143  -8.143
 1077    HA   LEU  44           HA       LEU  44 -14.275 -10.565 -10.565
 1078   1HB   LEU  44          2HB       LEU  44 -13.632  -9.835  -9.835
 1079   2HB   LEU  44          1HB       LEU  44 -15.314 -10.269 -10.269
 1080    HG   LEU  44           HG       LEU  44 -14.641 -12.416 -12.416
 1081   1HD1  LEU  44          1HD1      LEU  44 -12.166 -11.052 -11.052
 1082   2HD1  LEU  44          3HD1      LEU  44 -12.102 -12.487 -12.487
 1083   3HD1  LEU  44          2HD1      LEU  44 -12.436 -12.650 -12.650
 1084   1HD2  LEU  44          1HD2      LEU  44 -14.411 -11.732 -11.732
 1085   2HD2  LEU  44          3HD2      LEU  44 -15.382 -12.977 -12.977
 1086   3HD2  LEU  44          2HD2      LEU  44 -13.662 -13.249 -13.249
 1087    H    GLU  45           H        GLU  45 -16.566  -8.368  -8.368
 1088    HA   GLU  45           HA       GLU  45 -18.919 -10.019 -10.019
 1089   1HB   GLU  45          2HB       GLU  45 -18.139  -7.785  -7.785
 1090   2HB   GLU  45          1HB       GLU  45 -19.681  -7.495  -7.495
 1091   1HG   GLU  45          2HG       GLU  45 -20.574  -8.741  -8.741
 1092   2HG   GLU  45          1HG       GLU  45 -19.941 -10.119 -10.119
 1093    H    GLU  46           H        GLU  46 -17.132  -7.182  -7.182
 1094    HA   GLU  46           HA       GLU  46 -17.232  -5.891  -5.891
 1095   1HB   GLU  46          2HB       GLU  46 -17.504  -8.431  -8.431
 1096   2HB   GLU  46          1HB       GLU  46 -19.142  -7.929  -7.929
 1097   1HG   GLU  46          2HG       GLU  46 -18.360  -7.092  -7.092
 1098   2HG   GLU  46          1HG       GLU  46 -17.386  -5.944  -5.944
 1099    H    ILE  47           H        ILE  47 -20.492  -7.388  -7.388
 1100    HA   ILE  47           HA       ILE  47 -22.146  -5.416  -5.416
 1101    HB   ILE  47           HB       ILE  47 -22.609  -7.683  -7.683
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.393  -6.215  -6.215
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.908  -7.009  -7.009
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.660  -5.811  -5.811
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.257  -7.473  -7.473
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.542  -7.149  -7.149
 1107   1HD1  ILE  47          1HD1      ILE  47 -23.848  -4.797  -4.797
 1108   2HD1  ILE  47          3HD1      ILE  47 -24.279  -4.137  -4.137
 1109   3HD1  ILE  47          2HD1      ILE  47 -25.521  -4.855  -4.855
 1110    H    LYS  48           H        LYS  48 -20.474  -5.414  -5.414
 1111    HA   LYS  48           HA       LYS  48 -21.587  -3.387  -3.387
 1112   1HB   LYS  48          2HB       LYS  48 -18.648  -3.754  -3.754
 1113   2HB   LYS  48          1HB       LYS  48 -19.274  -2.966  -2.966
 1114   1HG   LYS  48          2HG       LYS  48 -20.236  -5.734  -5.734
 1115   2HG   LYS  48          1HG       LYS  48 -18.576  -5.551  -5.551
 1116   1HD   LYS  48          2HD       LYS  48 -19.892  -3.859  -3.859
 1117   2HD   LYS  48          1HD       LYS  48 -21.117  -5.103  -5.103
 1118   1HE   LYS  48          2HE       LYS  48 -18.678  -6.495  -6.495
 1119   2HE   LYS  48          1HE       LYS  48 -18.734  -5.254  -5.254
 1120   1HZ   LYS  48          1HZ       LYS  48 -21.163  -6.780  -6.780
 1121   2HZ   LYS  48          3HZ       LYS  48 -19.996  -7.480  -7.480
 1122   3HZ   LYS  48          2HZ       LYS  48 -20.739  -6.019  -6.019
 1123    H    GLU  49           H        GLU  49 -19.952  -3.095  -3.095
 1124    HA   GLU  49           HA       GLU  49 -20.653  -0.204  -0.204
 1125   1HB   GLU  49          2HB       GLU  49 -18.190  -0.264  -0.264
 1126   2HB   GLU  49          1HB       GLU  49 -18.461   0.235   0.235
 1127   1HG   GLU  49          2HG       GLU  49 -18.155  -2.692  -2.692
 1128   2HG   GLU  49          1HG       GLU  49 -16.720  -1.730  -1.730
 1129    H    GLN  50           H        GLN  50 -22.260  -0.745  -0.745
 1130    HA   GLN  50           HA       GLN  50 -21.971  -2.424  -2.424
 1131   1HB   GLN  50          2HB       GLN  50 -23.693  -0.232  -0.232
 1132   2HB   GLN  50          1HB       GLN  50 -23.655  -0.393  -0.393
 1133   1HG   GLN  50          2HG       GLN  50 -24.305  -2.588  -2.588
 1134   2HG   GLN  50          1HG       GLN  50 -25.439  -1.796  -1.796
 1135   1HE2  GLN  50          2HE2      GLN  50 -23.313  -3.315  -3.315
 1136   2HE2  GLN  50          1HE2      GLN  50 -23.392  -1.722  -1.722
 1137    H    GLU  51           H        GLU  51 -21.823   1.166   1.166
 1138    HA   GLU  51           HA       GLU  51 -20.918   1.609   1.609
 1139   1HB   GLU  51          2HB       GLU  51 -21.350   3.300   3.300
 1140   2HB   GLU  51          1HB       GLU  51 -19.794   2.887   2.887
 1141   1HG   GLU  51          2HG       GLU  51 -18.967   3.324   3.324
 1142   2HG   GLU  51          1HG       GLU  51 -20.379   4.383   4.383
 1143    H    VAL  52           H        VAL  52 -18.939   0.442   0.442
 1144    HA   VAL  52           HA       VAL  52 -16.451   0.486   0.486
 1145    HB   VAL  52           HB       VAL  52 -17.258  -0.913  -0.913
 1146   1HG1  VAL  52          1HG1      VAL  52 -14.752  -0.744  -0.744
 1147   2HG1  VAL  52          3HG1      VAL  52 -14.579  -0.328  -0.328
 1148   3HG1  VAL  52          2HG1      VAL  52 -15.231  -1.901  -1.901
 1149   1HG2  VAL  52          3HG2      VAL  52 -17.491   1.640   1.640
 1150   2HG2  VAL  52          2HG2      VAL  52 -16.457   1.027   1.027
 1151   3HG2  VAL  52          1HG2      VAL  52 -15.738   1.682   1.682
 1152    H    VAL  53           H        VAL  53 -18.890  -1.930  -1.930
 1153    HA   VAL  53           HA       VAL  53 -17.582  -4.249  -4.249
 1154    HB   VAL  53           HB       VAL  53 -20.478  -3.402  -3.402
 1155   1HG1  VAL  53          1HG1      VAL  53 -20.173  -5.136  -5.136
 1156   2HG1  VAL  53          3HG1      VAL  53 -19.455  -6.192  -6.192
 1157   3HG1  VAL  53          2HG1      VAL  53 -21.137  -5.685  -5.685
 1158   1HG2  VAL  53          2HG2      VAL  53 -18.424  -4.436  -4.436
 1159   2HG2  VAL  53          1HG2      VAL  53 -20.068  -3.942  -3.942
 1160   3HG2  VAL  53          3HG2      VAL  53 -19.746  -5.598  -5.598
 1161    H    ASP  54           H        ASP  54 -19.381  -1.607  -1.607
 1162    HA   ASP  54           HA       ASP  54 -19.686  -2.768  -2.768
 1163   1HB   ASP  54          2HB       ASP  54 -21.201  -1.063  -1.063
 1164   2HB   ASP  54          1HB       ASP  54 -19.936  -0.071  -0.071
 1165    H    LYS  55           H        LYS  55 -17.426  -0.510  -0.510
 1166    HA   LYS  55           HA       LYS  55 -15.759  -0.149  -0.149
 1167   1HB   LYS  55          2HB       LYS  55 -15.710   0.520   0.520
 1168   2HB   LYS  55          1HB       LYS  55 -14.261   0.774   0.774
 1169   1HG   LYS  55          2HG       LYS  55 -15.950   2.737   2.737
 1170   2HG   LYS  55          1HG       LYS  55 -15.303   2.373   2.373
 1171   1HD   LYS  55          2HD       LYS  55 -17.304   1.254   1.254
 1172   2HD   LYS  55          1HD       LYS  55 -17.906   1.201   1.201
 1173   1HE   LYS  55          2HE       LYS  55 -19.019   2.996   2.996
 1174   2HE   LYS  55          1HE       LYS  55 -18.092   3.671   3.671
 1175   1HZ   LYS  55          2HZ       LYS  55 -17.038   3.306   3.306
 1176   2HZ   LYS  55          1HZ       LYS  55 -17.592   4.784   4.784
 1177   3HZ   LYS  55          3HZ       LYS  55 -16.228   4.034   4.034
 1178    H    VAL  56           H        VAL  56 -14.974  -1.556  -1.556
 1179    HA   VAL  56           HA       VAL  56 -12.624  -2.883  -2.883
 1180    HB   VAL  56           HB       VAL  56 -15.091  -3.748  -3.748
 1181   1HG1  VAL  56          3HG1      VAL  56 -12.389  -5.018  -5.018
 1182   2HG1  VAL  56          2HG1      VAL  56 -13.158  -5.036  -5.036
 1183   3HG1  VAL  56          1HG1      VAL  56 -13.965  -5.779  -5.779
 1184   1HG2  VAL  56          2HG2      VAL  56 -13.734  -1.584  -1.584
 1185   2HG2  VAL  56          1HG2      VAL  56 -14.087  -2.679  -2.679
 1186   3HG2  VAL  56          3HG2      VAL  56 -12.490  -2.684  -2.684
 1187    H    MET  57           H        MET  57 -15.896  -4.127  -4.127
 1188    HA   MET  57           HA       MET  57 -14.848  -6.545  -6.545
 1189   1HB   MET  57          2HB       MET  57 -17.588  -5.233  -5.233
 1190   2HB   MET  57          1HB       MET  57 -17.240  -6.898  -6.898
 1191   1HG   MET  57          2HG       MET  57 -16.382  -5.944  -5.944
 1192   2HG   MET  57          1HG       MET  57 -18.074  -6.362  -6.362
 1193   1HE   MET  57          3HE       MET  57 -18.958  -8.108  -8.108
 1194   2HE   MET  57          2HE       MET  57 -18.210  -9.555  -9.555
 1195   3HE   MET  57          1HE       MET  57 -18.665  -9.516  -9.516
 1196    H    GLU  58           H        GLU  58 -15.580  -3.281  -3.281
 1197    HA   GLU  58           HA       GLU  58 -16.038  -3.724  -3.724
 1198   1HB   GLU  58          2HB       GLU  58 -16.558  -1.565  -1.565
 1199   2HB   GLU  58          1HB       GLU  58 -15.552  -1.548  -1.548
 1200   1HG   GLU  58          2HG       GLU  58 -14.750   0.106   0.106
 1201   2HG   GLU  58          1HG       GLU  58 -13.549  -1.163  -1.163
 1202    H    THR  59           H        THR  59 -13.037  -2.788  -2.788
 1203    HA   THR  59           HA       THR  59 -11.355  -3.066  -3.066
 1204    HB   THR  59           HB       THR  59 -10.800  -3.035  -3.035
 1205    HG1  THR  59           HG1      THR  59 -11.011  -1.112  -1.112
 1206   1HG2  THR  59          1HG2      THR  59  -8.974  -2.945  -2.945
 1207   2HG2  THR  59          3HG2      THR  59  -8.492  -2.281  -2.281
 1208   3HG2  THR  59          2HG2      THR  59  -8.872  -3.997  -3.997
 1209    H    LEU  60           H        LEU  60 -11.830  -5.138  -5.138
 1210    HA   LEU  60           HA       LEU  60 -10.122  -7.260  -7.260
 1211   1HB   LEU  60          2HB       LEU  60 -11.972  -6.655  -6.655
 1212   2HB   LEU  60          1HB       LEU  60 -12.562  -8.154  -8.154
 1213    HG   LEU  60           HG       LEU  60  -9.766  -7.650  -7.650
 1214   1HD1  LEU  60          1HD1      LEU  60 -11.735  -8.088  -8.088
 1215   2HD1  LEU  60          3HD1      LEU  60 -11.772  -9.712  -9.712
 1216   3HD1  LEU  60          2HD1      LEU  60 -10.327  -9.142  -9.142
 1217   1HD2  LEU  60          1HD2      LEU  60  -9.800  -9.085  -9.085
 1218   2HD2  LEU  60          3HD2      LEU  60  -9.325  -9.990  -9.990
 1219   3HD2  LEU  60          2HD2      LEU  60 -10.959 -10.150 -10.150
 1220    H    ASP  61           H        ASP  61 -13.506  -6.575  -6.575
 1221    HA   ASP  61           HA       ASP  61 -14.240  -8.954  -8.954
 1222   1HB   ASP  61          2HB       ASP  61 -15.792  -7.147  -7.147
 1223   2HB   ASP  61          1HB       ASP  61 -14.735  -6.031  -6.031
 1224    H    SER  62           H        SER  62 -12.232  -6.278  -6.278
 1225    HA   SER  62           HA       SER  62 -11.800  -7.626  -7.626
 1226   1HB   SER  62          2HB       SER  62 -10.012  -5.487  -5.487
 1227   2HB   SER  62          1HB       SER  62 -11.573  -5.432  -5.432
 1228    HG   SER  62           HG       SER  62 -11.384  -3.889  -3.889
 1229    H    ASP  63           H        ASP  63  -9.908  -6.802  -6.802
 1230    HA   ASP  63           HA       ASP  63  -7.713  -7.492  -7.492
 1231   1HB   ASP  63          2HB       ASP  63  -7.712 -10.036 -10.036
 1232   2HB   ASP  63          1HB       ASP  63  -9.111  -9.274  -9.274
 1233    H    GLY  64           H        GLY  64  -7.375  -6.462  -6.462
 1234   1HA   GLY  64          2HA       GLY  64  -6.170  -6.728  -6.728
 1235   2HA   GLY  64          1HA       GLY  64  -5.037  -7.600  -7.600
 1236    H    ASP  65           H        ASP  65  -8.293  -8.681  -8.681
 1237    HA   ASP  65           HA       ASP  65  -8.937 -10.943 -10.943
 1238   1HB   ASP  65          2HB       ASP  65  -9.629  -9.331  -9.331
 1239   2HB   ASP  65          1HB       ASP  65  -8.159  -9.708  -9.708
 1240    H    GLY  66           H        GLY  66  -7.213 -12.264 -12.264
 1241   1HA   GLY  66          2HA       GLY  66  -6.130 -14.303 -14.303
 1242   2HA   GLY  66          1HA       GLY  66  -5.092 -13.058 -13.058
 1243    H    GLU  67           H        GLU  67  -3.261 -12.619 -12.619
 1244    HA   GLU  67           HA       GLU  67  -3.011 -13.602 -13.602
 1245   1HB   GLU  67          2HB       GLU  67  -0.696 -13.834 -13.834
 1246   2HB   GLU  67          1HB       GLU  67  -1.631 -14.477 -14.477
 1247   1HG   GLU  67          2HG       GLU  67  -1.453 -12.212 -12.212
 1248   2HG   GLU  67          1HG       GLU  67  -0.327 -11.749 -11.749
 1249    H    CYS  68           H        CYS  68  -2.673 -12.066 -12.066
 1250    HA   CYS  68           HA       CYS  68  -2.180  -9.240  -9.240
 1251   1HB   CYS  68          2HB       CYS  68  -3.085 -10.363 -10.363
 1252   2HB   CYS  68          1HB       CYS  68  -3.143  -8.675  -8.675
 1253    HG   CYS  68           HG       CYS  68  -4.729 -10.426 -10.426
 1254    H    ASP  69           H        ASP  69  -0.145  -8.390  -8.390
 1255    HA   ASP  69           HA       ASP  69   1.600  -9.999  -9.999
 1256   1HB   ASP  69          2HB       ASP  69   2.261  -8.073  -8.073
 1257   2HB   ASP  69          1HB       ASP  69   3.431  -9.006  -9.006
 1258    H    PHE  70           H        PHE  70   3.037  -8.928  -8.928
 1259    HA   PHE  70           HA       PHE  70   2.858  -7.440  -7.440
 1260   1HB   PHE  70          2HB       PHE  70   4.566  -6.593  -6.593
 1261   2HB   PHE  70          1HB       PHE  70   4.737  -5.888  -5.888
 1262    HD1  PHE  70           HD2      PHE  70   3.914  -8.497  -8.497
 1263    HD2  PHE  70           HD1      PHE  70   6.743  -7.675  -7.675
 1264    HE1  PHE  70           HE2      PHE  70   5.250 -10.441 -10.441
 1265    HE2  PHE  70           HE1      PHE  70   8.097  -9.609  -9.609
 1266    HZ   PHE  70           HZ       PHE  70   7.337 -11.001 -11.001
 1267    H    GLN  71           H        GLN  71   3.070  -5.203  -5.203
 1268    HA   GLN  71           HA       GLN  71   2.070  -2.943  -2.943
 1269   1HB   GLN  71          2HB       GLN  71   1.342  -2.305  -2.305
 1270   2HB   GLN  71          1HB       GLN  71   2.971  -2.976  -2.976
 1271   1HG   GLN  71          2HG       GLN  71   2.106  -4.191  -4.191
 1272   2HG   GLN  71          1HG       GLN  71   1.739  -5.260  -5.260
 1273   1HE2  GLN  71          2HE2      GLN  71  -1.516  -5.152  -5.152
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.057  -6.020  -6.020
 1275    H    GLU  72           H        GLU  72   0.079  -5.683  -5.683
 1276    HA   GLU  72           HA       GLU  72  -2.441  -4.352  -4.352
 1277   1HB   GLU  72          2HB       GLU  72  -3.220  -6.752  -6.752
 1278   2HB   GLU  72          1HB       GLU  72  -2.388  -6.498  -6.498
 1279   1HG   GLU  72          2HG       GLU  72  -0.897  -8.063  -8.063
 1280   2HG   GLU  72          1HG       GLU  72  -0.388  -7.036  -7.036
 1281    H    PHE  73           H        PHE  73  -1.271  -6.555  -6.555
 1282    HA   PHE  73           HA       PHE  73  -3.048  -6.123  -6.123
 1283   1HB   PHE  73          2HB       PHE  73  -1.424  -7.623  -7.623
 1284   2HB   PHE  73          1HB       PHE  73  -0.172  -6.726  -6.726
 1285    HD1  PHE  73           HD2      PHE  73  -2.509  -5.773  -5.773
 1286    HD2  PHE  73           HD1      PHE  73   1.574  -6.303  -6.303
 1287    HE1  PHE  73           HE2      PHE  73  -1.759  -4.830  -4.830
 1288    HE2  PHE  73           HE1      PHE  73   2.340  -5.375  -5.375
 1289    HZ   PHE  73           HZ       PHE  73   0.668  -4.628  -4.628
 1290    H    MET  74           H        MET  74  -0.106  -4.043  -4.043
 1291    HA   MET  74           HA       MET  74  -0.978  -2.153  -2.153
 1292   1HB   MET  74          2HB       MET  74   0.789  -1.874  -1.874
 1293   2HB   MET  74          1HB       MET  74   0.704  -0.701  -0.701
 1294   1HG   MET  74          2HG       MET  74   1.242  -2.720  -2.720
 1295   2HG   MET  74          1HG       MET  74   1.781  -3.510  -3.510
 1296   1HE   MET  74          3HE       MET  74   1.737  -0.471  -0.471
 1297   2HE   MET  74          2HE       MET  74   3.324   0.288   0.288
 1298   3HE   MET  74          1HE       MET  74   2.158   0.518   0.518
 1299    H    ALA  75           H        ALA  75  -1.642  -2.490  -2.490
 1300    HA   ALA  75           HA       ALA  75  -2.861   0.114   0.114
 1301   1HB   ALA  75          1HB       ALA  75  -2.648  -2.508  -2.508
 1302   2HB   ALA  75          3HB       ALA  75  -3.923  -1.414  -1.414
 1303   3HB   ALA  75          2HB       ALA  75  -2.237  -0.894  -0.894
 1304    H    PHE  76           H        PHE  76  -4.538  -2.980  -2.980
 1305    HA   PHE  76           HA       PHE  76  -7.133  -2.163  -2.163
 1306   1HB   PHE  76          2HB       PHE  76  -6.324  -4.401  -4.401
 1307   2HB   PHE  76          1HB       PHE  76  -5.774  -4.708  -4.708
 1308    HD1  PHE  76           HD1      PHE  76  -8.887  -3.292  -3.292
 1309    HD2  PHE  76           HD2      PHE  76  -7.163  -6.125  -6.125
 1310    HE1  PHE  76           HE1      PHE  76 -11.153  -4.078  -4.078
 1311    HE2  PHE  76           HE2      PHE  76  -9.436  -6.922  -6.922
 1312    HZ   PHE  76           HZ       PHE  76 -11.432  -5.896  -5.896
 1313    H    VAL  77           H        VAL  77  -4.954  -3.475  -3.475
 1314    HA   VAL  77           HA       VAL  77  -6.582  -3.135  -3.135
 1315    HB   VAL  77           HB       VAL  77  -4.118  -3.911  -3.911
 1316   1HG1  VAL  77          1HG1      VAL  77  -3.323  -1.737  -1.737
 1317   2HG1  VAL  77          3HG1      VAL  77  -3.668  -0.990  -0.990
 1318   3HG1  VAL  77          2HG1      VAL  77  -2.428  -2.240  -2.240
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.145  -2.307  -2.307
 1320   2HG2  VAL  77          1HG2      VAL  77  -5.168  -4.058  -4.058
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.638  -3.223  -3.223
 1322    H    ALA  78           H        ALA  78  -4.730  -0.661  -0.661
 1323    HA   ALA  78           HA       ALA  78  -5.447   1.556   1.556
 1324   1HB   ALA  78          1HB       ALA  78  -3.819   1.092   1.092
 1325   2HB   ALA  78          3HB       ALA  78  -5.108   2.065   2.065
 1326   3HB   ALA  78          2HB       ALA  78  -4.175   2.693   2.693
 1327    H    MET  79           H        MET  79  -6.850   0.177   0.177
 1328    HA   MET  79           HA       MET  79  -9.030   2.003   2.003
 1329   1HB   MET  79          2HB       MET  79  -8.123   0.228   0.228
 1330   2HB   MET  79          1HB       MET  79  -9.000  -0.959  -0.959
 1331   1HG   MET  79          2HG       MET  79 -10.624  -0.482  -0.482
 1332   2HG   MET  79          1HG       MET  79 -11.007   0.756   0.756
 1333   1HE   MET  79          3HE       MET  79 -10.880   2.760   2.760
 1334   2HE   MET  79          2HE       MET  79  -9.489   3.651   3.651
 1335   3HE   MET  79          1HE       MET  79 -11.035   3.764   3.764
 1336    H    ILE  80           H        ILE  80  -8.564  -0.881  -0.881
 1337    HA   ILE  80           HA       ILE  80 -11.252  -1.285  -1.285
 1338    HB   ILE  80           HB       ILE  80  -8.589  -1.673  -1.673
 1339   1HG1  ILE  80          2HG1      ILE  80  -8.809  -2.715  -2.715
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.552  -3.864  -3.864
 1341   1HG2  ILE  80          3HG2      ILE  80 -10.909  -1.828  -1.828
 1342   2HG2  ILE  80          2HG2      ILE  80 -10.996  -3.392  -3.392
 1343   3HG2  ILE  80          1HG2      ILE  80  -9.658  -3.038  -3.038
 1344   1HD1  ILE  80          3HD1      ILE  80 -11.188  -3.934  -3.934
 1345   2HD1  ILE  80          2HD1      ILE  80 -11.043  -3.325  -3.325
 1346   3HD1  ILE  80          1HD1      ILE  80 -10.316  -4.869  -4.869
 1347    H    THR  81           H        THR  81  -8.570   0.109   0.109
 1348    HA   THR  81           HA       THR  81 -10.103   1.342   1.342
 1349    HB   THR  81           HB       THR  81  -7.442   2.203   2.203
 1350    HG1  THR  81           HG1      THR  81  -8.251   0.085   0.085
 1351   1HG2  THR  81          1HG2      THR  81  -8.716   3.633   3.633
 1352   2HG2  THR  81          3HG2      THR  81  -8.272   2.340   2.340
 1353   3HG2  THR  81          2HG2      THR  81  -7.016   3.256   3.256
 1354    H    THR  82           H        THR  82  -9.086   2.638   2.638
 1355    HA   THR  82           HA       THR  82  -9.898   5.348   5.348
 1356    HB   THR  82           HB       THR  82 -10.115   5.230   5.230
 1357    HG1  THR  82           HG1      THR  82 -10.479   3.121   3.121
 1358   1HG2  THR  82          2HG2      THR  82  -7.706   4.749   4.749
 1359   2HG2  THR  82          1HG2      THR  82  -7.518   4.556   4.556
 1360   3HG2  THR  82          3HG2      THR  82  -8.075   6.090   6.090
 1361    H    ALA  83           H        ALA  83 -11.717   2.462   2.462
 1362    HA   ALA  83           HA       ALA  83 -14.122   3.678   3.678
 1363   1HB   ALA  83          3HB       ALA  83 -13.130   1.187   1.187
 1364   2HB   ALA  83          2HB       ALA  83 -14.150   1.132   1.132
 1365   3HB   ALA  83          1HB       ALA  83 -14.863   1.487   1.487
 1366    H    CYS  84           H        CYS  84 -13.308   2.345   2.345
 1367    HA   CYS  84           HA       CYS  84 -15.576   2.934   2.934
 1368   1HB   CYS  84          2HB       CYS  84 -12.637   2.938   2.938
 1369   2HB   CYS  84          1HB       CYS  84 -13.660   3.631   3.631
 1370    HG   CYS  84           HG       CYS  84 -14.083   0.713   0.713
 1371    H    HIS  85           H        HIS  85 -12.967   5.186   5.186
 1372    HA   HIS  85           HA       HIS  85 -14.171   7.539   7.539
 1373   1HB   HIS  85          2HB       HIS  85 -15.123   8.457   8.457
 1374   2HB   HIS  85          1HB       HIS  85 -15.895   6.927   6.927
 1375    HD1  HIS  85           HD1      HIS  85 -16.155   7.487   7.487
 1376    HD2  HIS  85           HD2      HIS  85 -12.671   5.762   5.762
 1377    HE1  HIS  85           HE1      HIS  85 -15.025   6.341   6.341
 1378    H    GLU  86           H        GLU  86 -13.418   8.976   8.976
 1379    HA   GLU  86           HA       GLU  86 -11.464   9.889   9.889
 1380   1HB   GLU  86          2HB       GLU  86 -11.024   7.216   7.216
 1381   2HB   GLU  86          1HB       GLU  86  -9.728   7.849   7.849
 1382   1HG   GLU  86          2HG       GLU  86  -8.541   8.457   8.457
 1383   2HG   GLU  86          1HG       GLU  86  -9.899   9.400   9.400
 1384    H    PHE  87           H        PHE  87  -9.080  10.524  10.524
 1385    HA   PHE  87           HA       PHE  87  -9.055  12.482  12.482
 1386   1HB   PHE  87          2HB       PHE  87  -6.707  12.133  12.133
 1387   2HB   PHE  87          1HB       PHE  87  -7.159  11.341  11.341
 1388    HD1  PHE  87           HD1      PHE  87  -8.093   8.873   8.873
 1389    HD2  PHE  87           HD2      PHE  87  -5.368  10.833  10.833
 1390    HE1  PHE  87           HE1      PHE  87  -7.423   6.690   6.690
 1391    HE2  PHE  87           HE2      PHE  87  -4.747   8.633   8.633
 1392    HZ   PHE  87           HZ       PHE  87  -5.713   6.604   6.604
 1393    H    PHE  88           H        PHE  88  -9.216   9.025   9.025
 1394    HA   PHE  88           HA       PHE  88  -8.353   9.114   9.114
 1395   1HB   PHE  88          2HB       PHE  88  -9.864   7.350   7.350
 1396   2HB   PHE  88          1HB       PHE  88 -10.200   7.134   7.134
 1397    HD1  PHE  88           HD1      PHE  88  -7.300   8.020   8.020
 1398    HD2  PHE  88           HD2      PHE  88  -8.716   5.178   5.178
 1399    HE1  PHE  88           HE1      PHE  88  -5.213   6.736   6.736
 1400    HE2  PHE  88           HE2      PHE  88  -6.659   3.839   3.839
 1401    HZ   PHE  88           HZ       PHE  88  -4.914   4.603   4.603
 1402    H    GLU  89           H        GLU  89  -9.416  11.143  11.143
 1403    HA   GLU  89           HA       GLU  89 -11.001  12.137  12.137
 1404   1HB   GLU  89          2HB       GLU  89 -11.222   9.427   9.427
 1405   2HB   GLU  89          1HB       GLU  89 -12.858   9.839   9.839
 1406   1HG   GLU  89          2HG       GLU  89 -11.509  11.526  11.526
 1407   2HG   GLU  89          1HG       GLU  89 -12.230   9.984   9.984
 1408    H    HIS  90           H        HIS  90 -12.303  13.707  13.707
 1409    HA   HIS  90           HA       HIS  90 -13.875  14.781  14.781
 1410   1HB   HIS  90          2HB       HIS  90 -15.022  12.658  12.658
 1411   2HB   HIS  90          1HB       HIS  90 -15.310  12.217  12.217
 1412    HD1  HIS  90           HD1      HIS  90 -16.658  14.267  14.267
 1413    HD2  HIS  90           HD2      HIS  90 -16.588  14.502  14.502
 1414    HE1  HIS  90           HE1      HIS  90 -18.464  15.918  15.918
 1415    H    GLU  91           H        GLU  91 -11.571  13.001  13.001
 1416    HA   GLU  91           HA       GLU  91 -10.893  12.201  12.201
 1417   1HB   GLU  91          2HB       GLU  91 -11.206  14.791  14.791
 1418   2HB   GLU  91          1HB       GLU  91 -12.623  14.467  14.467
 1419   1HG   GLU  91          2HG       GLU  91 -10.725  12.899  12.899
 1420   2HG   GLU  91          1HG       GLU  91  -9.764  14.282  14.282

  Start of MODEL    8
    1   1H    MET   0          3H        MET   0   1.385  -8.671  -8.671
    2   2H    MET   0          2H        MET   0   1.542  -9.982  -9.982
    3   3H    MET   0          1H        MET   0   2.306 -10.023 -10.023
    4    HA   MET   0           HA       MET   0   0.528 -11.055 -11.055
    5   1HB   MET   0          2HB       MET   0   0.269 -11.393 -11.393
    6   2HB   MET   0          1HB       MET   0  -1.131 -10.342 -10.342
    7   1HG   MET   0          2HG       MET   0  -1.227 -12.222 -12.222
    8   2HG   MET   0          1HG       MET   0  -0.856 -13.141 -13.141
    9   1HE   MET   0          1HE       MET   0  -3.115 -10.485 -10.485
   10   2HE   MET   0          3HE       MET   0  -3.529 -12.117 -12.117
   11   3HE   MET   0          2HE       MET   0  -4.698 -11.165 -11.165
   12    H    SER   1           H        SER   1  -0.656  -8.202  -8.202
   13    HA   SER   1           HA       SER   1  -2.580  -7.579  -7.579
   14   1HB   SER   1          2HB       SER   1  -2.998  -5.644  -5.644
   15   2HB   SER   1          1HB       SER   1  -3.369  -7.282  -7.282
   16    HG   SER   1           HG       SER   1  -1.277  -5.578  -5.578
   17    H    GLU   2           H        GLU   2   0.670  -6.947  -6.947
   18    HA   GLU   2           HA       GLU   2   1.279  -4.318  -4.318
   19   1HB   GLU   2          2HB       GLU   2   2.369  -6.796  -6.796
   20   2HB   GLU   2          1HB       GLU   2   3.209  -5.246  -5.246
   21   1HG   GLU   2          2HG       GLU   2   2.318  -6.013  -6.013
   22   2HG   GLU   2          1HG       GLU   2   3.261  -7.319  -7.319
   23    H    LEU   3           H        LEU   3  -0.203  -6.550  -6.550
   24    HA   LEU   3           HA       LEU   3   0.203  -5.055  -5.055
   25   1HB   LEU   3          2HB       LEU   3  -1.641  -6.507  -6.507
   26   2HB   LEU   3          1HB       LEU   3  -0.349  -7.363  -7.363
   27    HG   LEU   3           HG       LEU   3  -1.999  -6.767  -6.767
   28   1HD1  LEU   3          3HD1      LEU   3  -3.617  -5.880  -5.880
   29   2HD1  LEU   3          2HD1      LEU   3  -3.798  -7.555  -7.555
   30   3HD1  LEU   3          1HD1      LEU   3  -4.271  -7.084  -7.084
   31   1HD2  LEU   3          3HD2      LEU   3  -0.902  -8.929  -8.929
   32   2HD2  LEU   3          2HD2      LEU   3  -2.551  -9.120  -9.120
   33   3HD2  LEU   3          1HD2      LEU   3  -2.227  -9.192  -9.192
   34    H    GLU   4           H        GLU   4  -2.668  -5.143  -5.143
   35    HA   GLU   4           HA       GLU   4  -3.969  -2.974  -2.974
   36   1HB   GLU   4          2HB       GLU   4  -4.482  -4.832  -4.832
   37   2HB   GLU   4          1HB       GLU   4  -5.362  -3.309  -3.309
   38   1HG   GLU   4          2HG       GLU   4  -5.358  -5.269  -5.269
   39   2HG   GLU   4          1HG       GLU   4  -6.705  -4.939  -4.939
   40    H    LYS   5           H        LYS   5  -2.768  -3.404  -3.404
   41    HA   LYS   5           HA       LYS   5  -3.015  -0.783  -0.783
   42   1HB   LYS   5          2HB       LYS   5  -0.721  -2.748  -2.748
   43   2HB   LYS   5          1HB       LYS   5  -1.132  -1.435  -1.435
   44   1HG   LYS   5          2HG       LYS   5  -3.371  -3.276  -3.276
   45   2HG   LYS   5          1HG       LYS   5  -2.064  -3.984  -3.984
   46   1HD   LYS   5          2HD       LYS   5  -3.324  -1.335  -1.335
   47   2HD   LYS   5          1HD       LYS   5  -3.950  -2.872  -2.872
   48   1HE   LYS   5          2HE       LYS   5  -1.770  -3.392  -3.392
   49   2HE   LYS   5          1HE       LYS   5  -1.105  -1.872  -1.872
   50   1HZ   LYS   5          1HZ       LYS   5  -3.327  -0.982  -0.982
   51   2HZ   LYS   5          3HZ       LYS   5  -3.025  -2.304  -2.304
   52   3HZ   LYS   5          2HZ       LYS   5  -1.854  -1.087  -1.087
   53    H    ALA   6           H        ALA   6  -0.812  -2.113  -2.113
   54    HA   ALA   6           HA       ALA   6   1.100   0.035   0.035
   55   1HB   ALA   6          2HB       ALA   6   0.087  -2.113  -2.113
   56   2HB   ALA   6          1HB       ALA   6   1.215  -0.898  -0.898
   57   3HB   ALA   6          3HB       ALA   6   1.685  -1.951  -1.951
   58    H    VAL   7           H        VAL   7  -2.036  -0.556  -0.556
   59    HA   VAL   7           HA       VAL   7  -2.060   1.738   1.738
   60    HB   VAL   7           HB       VAL   7  -3.786  -0.413  -0.413
   61   1HG1  VAL   7          3HG1      VAL   7  -5.004   1.755   1.755
   62   2HG1  VAL   7          2HG1      VAL   7  -5.322   2.000   2.000
   63   3HG1  VAL   7          1HG1      VAL   7  -5.907   0.545   0.545
   64   1HG2  VAL   7          2HG2      VAL   7  -2.763   0.434   0.434
   65   2HG2  VAL   7          1HG2      VAL   7  -4.077  -0.731  -0.731
   66   3HG2  VAL   7          3HG2      VAL   7  -4.439   0.969   0.969
   67    H    VAL   8           H        VAL   8  -3.498   1.175   1.175
   68    HA   VAL   8           HA       VAL   8  -4.471   3.714   3.714
   69    HB   VAL   8           HB       VAL   8  -2.989   1.614   1.614
   70   1HG1  VAL   8          2HG1      VAL   8  -3.618   4.364   4.364
   71   2HG1  VAL   8          1HG1      VAL   8  -4.372   3.175   3.175
   72   3HG1  VAL   8          3HG1      VAL   8  -2.624   3.166   3.166
   73   1HG2  VAL   8          2HG2      VAL   8  -5.855   2.443   2.443
   74   2HG2  VAL   8          1HG2      VAL   8  -5.133   0.842   0.842
   75   3HG2  VAL   8          3HG2      VAL   8  -5.395   1.536   1.536
   76    H    ALA   9           H        ALA   9  -1.138   2.627   2.627
   77    HA   ALA   9           HA       ALA   9   0.024   5.056   5.056
   78   1HB   ALA   9          3HB       ALA   9   0.985   2.687   2.687
   79   2HB   ALA   9          2HB       ALA   9   1.307   2.949   2.949
   80   3HB   ALA   9          1HB       ALA   9   2.095   3.959   3.959
   81    H    LEU  10           H        LEU  10   0.159   3.634   3.634
   82    HA   LEU  10           HA       LEU  10   1.213   5.804   5.804
   83   1HB   LEU  10          2HB       LEU  10  -0.968   3.824   3.824
   84   2HB   LEU  10          1HB       LEU  10  -0.113   4.830   4.830
   85    HG   LEU  10           HG       LEU  10   1.730   3.437   3.437
   86   1HD1  LEU  10          3HD1      LEU  10  -0.550   1.951   1.951
   87   2HD1  LEU  10          2HD1      LEU  10   0.925   1.355   1.355
   88   3HD1  LEU  10          1HD1      LEU  10   0.791   1.390   1.390
   89   1HD2  LEU  10          1HD2      LEU  10   1.362   4.098   4.098
   90   2HD2  LEU  10          3HD2      LEU  10   2.836   4.071   4.071
   91   3HD2  LEU  10          2HD2      LEU  10   2.199   2.573   2.573
   92    H    ILE  11           H        ILE  11  -2.123   5.316   5.316
   93    HA   ILE  11           HA       ILE  11  -3.284   7.546   7.546
   94    HB   ILE  11           HB       ILE  11  -5.132   7.098   7.098
   95   1HG1  ILE  11          2HG1      ILE  11  -4.489   5.472   5.472
   96   2HG1  ILE  11          1HG1      ILE  11  -3.237   6.706   6.706
   97   1HG2  ILE  11          3HG2      ILE  11  -3.607   4.883   4.883
   98   2HG2  ILE  11          2HG2      ILE  11  -4.463   4.402   4.402
   99   3HG2  ILE  11          1HG2      ILE  11  -5.357   5.039   5.039
  100   1HD1  ILE  11          1HD1      ILE  11  -5.926   7.754   7.754
  101   2HD1  ILE  11          3HD1      ILE  11  -5.747   7.037   7.037
  102   3HD1  ILE  11          2HD1      ILE  11  -4.687   8.356   8.356
  103    H    ASP  12           H        ASP  12  -1.538   7.253   7.253
  104    HA   ASP  12           HA       ASP  12  -2.193   9.830   9.830
  105   1HB   ASP  12          2HB       ASP  12  -0.662   7.567   7.567
  106   2HB   ASP  12          1HB       ASP  12   0.540   8.848   8.848
  107    H    VAL  13           H        VAL  13   0.290   8.600   8.600
  108    HA   VAL  13           HA       VAL  13   1.747  11.015  11.015
  109    HB   VAL  13           HB       VAL  13   1.191   8.733   8.733
  110   1HG1  VAL  13          3HG1      VAL  13   3.482  10.675  10.675
  111   2HG1  VAL  13          2HG1      VAL  13   3.558   9.270   9.270
  112   3HG1  VAL  13          1HG1      VAL  13   2.404  10.556  10.556
  113   1HG2  VAL  13          2HG2      VAL  13   2.164   8.515   8.515
  114   2HG2  VAL  13          1HG2      VAL  13   2.408   7.340   7.340
  115   3HG2  VAL  13          3HG2      VAL  13   3.626   8.579   8.579
  116    H    PHE  14           H        PHE  14  -0.898   9.521   9.521
  117    HA   PHE  14           HA       PHE  14  -1.196  11.515  11.515
  118   1HB   PHE  14          2HB       PHE  14  -2.992   9.493   9.493
  119   2HB   PHE  14          1HB       PHE  14  -3.820  10.897  10.897
  120    HD1  PHE  14           HD2      PHE  14  -3.442  11.586  11.586
  121    HD2  PHE  14           HD1      PHE  14  -1.858   7.928   7.928
  122    HE1  PHE  14           HE2      PHE  14  -3.023  10.780  10.780
  123    HE2  PHE  14           HE1      PHE  14  -1.458   7.114   7.114
  124    HZ   PHE  14           HZ       PHE  14  -2.015   8.543   8.543
  125    H    HIS  15           H        HIS  15  -2.775  11.432  11.432
  126    HA   HIS  15           HA       HIS  15  -4.200  13.808  13.808
  127   1HB   HIS  15          2HB       HIS  15  -4.142  12.379  12.379
  128   2HB   HIS  15          1HB       HIS  15  -2.392  12.537  12.537
  129    HD1  HIS  15           HD1      HIS  15  -5.238  15.086  15.086
  130    HD2  HIS  15           HD2      HIS  15  -1.861  14.241  14.241
  131    HE1  HIS  15           HE1      HIS  15  -5.093  16.904  16.904
  132    H    GLN  16           H        GLN  16  -0.686  13.407  13.407
  133    HA   GLN  16           HA       GLN  16  -0.266  16.334  16.334
  134   1HB   GLN  16          2HB       GLN  16   1.577  13.921  13.921
  135   2HB   GLN  16          1HB       GLN  16   2.103  15.589  15.589
  136   1HG   GLN  16          2HG       GLN  16   0.873  15.800  15.800
  137   2HG   GLN  16          1HG       GLN  16  -0.020  14.310  14.310
  138   1HE2  GLN  16          2HE2      GLN  16   2.946  12.257  12.257
  139   2HE2  GLN  16          1HE2      GLN  16   1.757  12.377  12.377
  140    H    TYR  17           H        TYR  17   1.294  13.737  13.737
  141    HA   TYR  17           HA       TYR  17   2.369  15.092  15.092
  142   1HB   TYR  17          2HB       TYR  17   1.015  12.465  12.465
  143   2HB   TYR  17          1HB       TYR  17   1.332  12.958  12.958
  144    HD1  TYR  17           HD2      TYR  17   2.963  12.680  12.680
  145    HD2  TYR  17           HD1      TYR  17   3.493  12.671  12.671
  146    HE1  TYR  17           HE2      TYR  17   5.327  12.041  12.041
  147    HE2  TYR  17           HE1      TYR  17   5.873  12.044  12.044
  148    HH   TYR  17           HH       TYR  17   7.585  12.043  12.043
  149    H    SER  18           H        SER  18  -0.969  13.804  13.804
  150    HA   SER  18           HA       SER  18  -1.577  15.411  15.411
  151   1HB   SER  18          2HB       SER  18  -3.473  14.076  14.076
  152   2HB   SER  18          1HB       SER  18  -2.405  13.080  13.080
  153    HG   SER  18           HG       SER  18  -3.803  13.303  13.303
  154    H    GLY  19           H        GLY  19  -1.366  16.321  16.321
  155   1HA   GLY  19          2HA       GLY  19  -3.247  18.575  18.575
  156   2HA   GLY  19          1HA       GLY  19  -3.435  17.639  17.639
  157    H    ARG  20           H        ARG  20  -0.266  18.259  18.259
  158    HA   ARG  20           HA       ARG  20   0.289  20.097  20.097
  159   1HB   ARG  20          2HB       ARG  20   2.498  19.082  19.082
  160   2HB   ARG  20          1HB       ARG  20   1.305  17.784  17.784
  161   1HG   ARG  20          2HG       ARG  20   1.591  17.556  17.556
  162   2HG   ARG  20          1HG       ARG  20   2.797  18.843  18.843
  163   1HD   ARG  20          2HD       ARG  20   3.078  16.343  16.343
  164   2HD   ARG  20          1HD       ARG  20   3.744  16.466  16.466
  165    HE   ARG  20           HE       ARG  20   4.624  18.058  18.058
  166   1HH1  ARG  20          1HH2      ARG  20   5.684  16.468  16.468
  167   2HH1  ARG  20          2HH2      ARG  20   6.728  17.722  17.722
  168   1HH2  ARG  20          2HH1      ARG  20   5.552  20.099  20.099
  169   2HH2  ARG  20          1HH1      ARG  20   6.653  19.778  19.778
  170    H    GLU  21           H        GLU  21  -0.642  20.933  20.933
  171    HA   GLU  21           HA       GLU  21   1.376  22.938  22.938
  172   1HB   GLU  21          2HB       GLU  21   2.527  21.181  21.181
  173   2HB   GLU  21          1HB       GLU  21   1.034  20.484  20.484
  174   1HG   GLU  21          2HG       GLU  21   1.084  21.804  21.804
  175   2HG   GLU  21          1HG       GLU  21   1.377  23.247  23.247
  176    H    GLY  22           H        GLY  22  -0.528  21.511  21.511
  177   1HA   GLY  22          2HA       GLY  22  -2.741  23.430  23.430
  178   2HA   GLY  22          1HA       GLY  22  -1.802  23.616  23.616
  179    H    ASP  23           H        ASP  23  -2.493  20.506  20.506
  180    HA   ASP  23           HA       ASP  23  -4.318  19.867  19.867
  181   1HB   ASP  23          2HB       ASP  23  -2.088  18.264  18.264
  182   2HB   ASP  23          1HB       ASP  23  -3.220  17.591  17.591
  183    H    LYS  24           H        LYS  24  -5.915  18.181  18.181
  184    HA   LYS  24           HA       LYS  24  -6.789  18.296  18.296
  185   1HB   LYS  24          2HB       LYS  24  -7.904  17.590  17.590
  186   2HB   LYS  24          1HB       LYS  24  -8.643  16.811  16.811
  187   1HG   LYS  24          2HG       LYS  24  -9.888  18.799  18.799
  188   2HG   LYS  24          1HG       LYS  24  -8.714  19.196  19.196
  189   1HD   LYS  24          2HD       LYS  24  -7.294  20.333  20.333
  190   2HD   LYS  24          1HD       LYS  24  -8.290  19.785  19.785
  191   1HE   LYS  24          2HE       LYS  24 -10.077  21.221  21.221
  192   2HE   LYS  24          1HE       LYS  24  -9.478  21.448  21.448
  193   1HZ   LYS  24          2HZ       LYS  24  -7.954  22.251  22.251
  194   2HZ   LYS  24          1HZ       LYS  24  -8.954  23.318  23.318
  195   3HZ   LYS  24          3HZ       LYS  24  -7.599  22.630  22.630
  196    H    HIS  25           H        HIS  25  -7.093  15.475  15.475
  197    HA   HIS  25           HA       HIS  25  -5.455  13.907  13.907
  198   1HB   HIS  25          2HB       HIS  25  -8.243  13.444  13.444
  199   2HB   HIS  25          1HB       HIS  25  -7.283  12.122  12.122
  200    HD1  HIS  25           HD1      HIS  25  -9.892  13.853  13.853
  201    HD2  HIS  25           HD2      HIS  25  -5.945  13.734  13.734
  202    HE1  HIS  25           HE1      HIS  25  -9.938  14.579  14.579
  203    H    LYS  26           H        LYS  26  -4.214  14.683  14.683
  204    HA   LYS  26           HA       LYS  26  -3.850  12.169  12.169
  205   1HB   LYS  26          2HB       LYS  26  -4.815  14.789  14.789
  206   2HB   LYS  26          1HB       LYS  26  -3.947  13.617  13.617
  207   1HG   LYS  26          2HG       LYS  26  -5.989  12.695  12.695
  208   2HG   LYS  26          1HG       LYS  26  -5.782  12.018  12.018
  209   1HD   LYS  26          2HD       LYS  26  -6.694  14.551  14.551
  210   2HD   LYS  26          1HD       LYS  26  -7.577  14.160  14.160
  211   1HE   LYS  26          2HE       LYS  26  -7.827  11.808  11.808
  212   2HE   LYS  26          1HE       LYS  26  -7.831  12.982  12.982
  213   1HZ   LYS  26          3HZ       LYS  26  -9.349  13.655  13.655
  214   2HZ   LYS  26          2HZ       LYS  26 -10.005  12.464  12.464
  215   3HZ   LYS  26          1HZ       LYS  26  -9.679  14.019  14.019
  216    H    LEU  27           H        LEU  27  -1.880  12.679  12.679
  217    HA   LEU  27           HA       LEU  27  -0.066  14.709  14.709
  218   1HB   LEU  27          2HB       LEU  27   0.215  11.721  11.721
  219   2HB   LEU  27          1HB       LEU  27   1.668  12.722  12.722
  220    HG   LEU  27           HG       LEU  27  -0.367  13.434  13.434
  221   1HD1  LEU  27          2HD1      LEU  27   0.536  10.761  10.761
  222   2HD1  LEU  27          1HD1      LEU  27   1.428  11.472  11.472
  223   3HD1  LEU  27          3HD1      LEU  27  -0.336  11.480  11.480
  224   1HD2  LEU  27          1HD2      LEU  27   1.829  14.621  14.621
  225   2HD2  LEU  27          3HD2      LEU  27   1.617  13.999  13.999
  226   3HD2  LEU  27          2HD2      LEU  27   2.649  13.139  13.139
  227    H    LYS  28           H        LYS  28   2.145  14.534  14.534
  228    HA   LYS  28           HA       LYS  28   1.424  14.208  14.208
  229   1HB   LYS  28          2HB       LYS  28   1.531  16.579  16.579
  230   2HB   LYS  28          1HB       LYS  28   3.277  16.329  16.329
  231   1HG   LYS  28          2HG       LYS  28   3.371  16.246  16.246
  232   2HG   LYS  28          1HG       LYS  28   1.659  15.848  15.848
  233   1HD   LYS  28          2HD       LYS  28   2.492  18.476  18.476
  234   2HD   LYS  28          1HD       LYS  28   2.439  18.283  18.283
  235   1HE   LYS  28          2HE       LYS  28   0.141  18.133  18.133
  236   2HE   LYS  28          1HE       LYS  28   0.063  17.316  17.316
  237   1HZ   LYS  28          3HZ       LYS  28   1.084  19.583  19.583
  238   2HZ   LYS  28          2HZ       LYS  28   0.306  20.175  20.175
  239   3HZ   LYS  28          1HZ       LYS  28  -0.592  19.399  19.399
  240    H    LYS  29           H        LYS  29   3.305  13.766  13.766
  241    HA   LYS  29           HA       LYS  29   5.030  11.744  11.744
  242   1HB   LYS  29          2HB       LYS  29   5.441  14.091  14.091
  243   2HB   LYS  29          1HB       LYS  29   6.499  12.679  12.679
  244   1HG   LYS  29          2HG       LYS  29   4.844  11.252  11.252
  245   2HG   LYS  29          1HG       LYS  29   3.534  12.283  12.283
  246   1HD   LYS  29          2HD       LYS  29   3.536  12.620  12.620
  247   2HD   LYS  29          1HD       LYS  29   4.408  14.016  14.016
  248   1HE   LYS  29          2HE       LYS  29   6.416  12.115  12.115
  249   2HE   LYS  29          1HE       LYS  29   5.382  11.879  11.879
  250   1HZ   LYS  29          1HZ       LYS  29   6.185  14.565  14.565
  251   2HZ   LYS  29          3HZ       LYS  29   7.102  13.703  13.703
  252   3HZ   LYS  29          2HZ       LYS  29   5.502  14.150  14.150
  253    H    SER  30           H        SER  30   5.317  15.153  15.153
  254    HA   SER  30           HA       SER  30   8.107  15.012  15.012
  255   1HB   SER  30          2HB       SER  30   6.006  16.945  16.945
  256   2HB   SER  30          1HB       SER  30   6.742  17.211  17.211
  257    HG   SER  30           HG       SER  30   8.797  17.083  17.083
  258    H    GLU  31           H        GLU  31   4.983  15.357  15.357
  259    HA   GLU  31           HA       GLU  31   6.125  15.085  15.085
  260   1HB   GLU  31          2HB       GLU  31   3.318  14.370  14.370
  261   2HB   GLU  31          1HB       GLU  31   3.819  14.963  14.963
  262   1HG   GLU  31          2HG       GLU  31   4.766  16.956  16.956
  263   2HG   GLU  31          1HG       GLU  31   3.337  16.461  16.461
  264    H    LEU  32           H        LEU  32   5.000  12.779  12.779
  265    HA   LEU  32           HA       LEU  32   4.801  10.470  10.470
  266   1HB   LEU  32          2HB       LEU  32   4.037  10.958  10.958
  267   2HB   LEU  32          1HB       LEU  32   5.669  10.460  10.460
  268    HG   LEU  32           HG       LEU  32   5.358   8.286   8.286
  269   1HD1  LEU  32          2HD1      LEU  32   3.079   9.664   9.664
  270   2HD1  LEU  32          1HD1      LEU  32   2.750   8.010   8.010
  271   3HD1  LEU  32          3HD1      LEU  32   4.077   8.338   8.338
  272   1HD2  LEU  32          1HD2      LEU  32   3.560   9.335   9.335
  273   2HD2  LEU  32          3HD2      LEU  32   4.409   7.793   7.793
  274   3HD2  LEU  32          2HD2      LEU  32   2.847   7.963   7.963
  275    H    LYS  33           H        LYS  33   7.457  11.353  11.353
  276    HA   LYS  33           HA       LYS  33   9.325   9.421   9.421
  277   1HB   LYS  33          2HB       LYS  33   9.323  11.554  11.554
  278   2HB   LYS  33          1HB       LYS  33  10.305  12.217  12.217
  279   1HG   LYS  33          2HG       LYS  33  10.826   9.674   9.674
  280   2HG   LYS  33          1HG       LYS  33  11.807  11.139  11.139
  281   1HD   LYS  33          2HD       LYS  33  12.540  10.767  10.767
  282   2HD   LYS  33          1HD       LYS  33  11.283   9.568   9.568
  283   1HE   LYS  33          2HE       LYS  33  13.262   8.277   8.277
  284   2HE   LYS  33          1HE       LYS  33  12.415   8.209   8.209
  285   1HZ   LYS  33          2HZ       LYS  33  14.294  10.405  10.405
  286   2HZ   LYS  33          1HZ       LYS  33  14.865   8.925   8.925
  287   3HZ   LYS  33          3HZ       LYS  33  13.766   9.847   9.847
  288    H    GLU  34           H        GLU  34   8.907  12.680  12.680
  289    HA   GLU  34           HA       GLU  34  10.765  12.580  12.580
  290   1HB   GLU  34          2HB       GLU  34   8.712  14.192  14.192
  291   2HB   GLU  34          1HB       GLU  34   7.970  13.403  13.403
  292   1HG   GLU  34          2HG       GLU  34   9.040  15.245  15.245
  293   2HG   GLU  34          1HG       GLU  34  10.236  13.966  13.966
  294    H    LEU  35           H        LEU  35   7.394  11.480  11.480
  295    HA   LEU  35           HA       LEU  35   7.188  10.234  10.234
  296   1HB   LEU  35          2HB       LEU  35   5.812  10.332  10.332
  297   2HB   LEU  35          1HB       LEU  35   6.360   8.656   8.656
  298    HG   LEU  35           HG       LEU  35   5.408   9.342   9.342
  299   1HD1  LEU  35          3HD1      LEU  35   4.025  10.717  10.717
  300   2HD1  LEU  35          2HD1      LEU  35   3.089   9.234   9.234
  301   3HD1  LEU  35          1HD1      LEU  35   3.367  10.257  10.257
  302   1HD2  LEU  35          3HD2      LEU  35   5.754   7.074   7.074
  303   2HD2  LEU  35          2HD2      LEU  35   4.179   7.293   7.293
  304   3HD2  LEU  35          1HD2      LEU  35   4.325   7.398   7.398
  305    H    ILE  36           H        ILE  36   8.766   8.809   8.809
  306    HA   ILE  36           HA       ILE  36   9.526   6.418   6.418
  307    HB   ILE  36           HB       ILE  36   9.756   7.505   7.505
  308   1HG1  ILE  36          2HG1      ILE  36   8.688   5.300   5.300
  309   2HG1  ILE  36          1HG1      ILE  36   8.726   4.933   4.933
  310   1HG2  ILE  36          1HG2      ILE  36  11.686   5.704   5.704
  311   2HG2  ILE  36          3HG2      ILE  36  10.906   4.990   4.990
  312   3HG2  ILE  36          2HG2      ILE  36  11.758   6.526   6.526
  313   1HD1  ILE  36          2HD1      ILE  36   7.493   7.503   7.503
  314   2HD1  ILE  36          1HD1      ILE  36   6.567   6.006   6.006
  315   3HD1  ILE  36          3HD1      ILE  36   7.152   6.572   6.572
  316    H    ASN  37           H        ASN  37  11.368   8.992   8.992
  317    HA   ASN  37           HA       ASN  37  13.953   8.335   8.335
  318   1HB   ASN  37          2HB       ASN  37  13.499   9.911   9.911
  319   2HB   ASN  37          1HB       ASN  37  12.556  10.924  10.924
  320   1HD2  ASN  37          2HD2      ASN  37  16.436  10.835  10.835
  321   2HD2  ASN  37          1HD2      ASN  37  15.508   9.418   9.418
  322    H    ASN  38           H        ASN  38  11.409   9.890   9.890
  323    HA   ASN  38           HA       ASN  38  13.155  11.059  11.059
  324   1HB   ASN  38          2HB       ASN  38  10.491  11.182  11.182
  325   2HB   ASN  38          1HB       ASN  38  10.426  10.319  10.319
  326   1HD2  ASN  38          2HD2      ASN  38  10.711  14.209  14.209
  327   2HD2  ASN  38          1HD2      ASN  38   9.938  13.313  13.313
  328    H    GLU  39           H        GLU  39  11.401   7.976   7.976
  329    HA   GLU  39           HA       GLU  39  12.610   7.081   7.081
  330   1HB   GLU  39          2HB       GLU  39  10.187   6.433   6.433
  331   2HB   GLU  39          1HB       GLU  39  10.804   5.247   5.247
  332   1HG   GLU  39          2HG       GLU  39   9.152   6.627   6.627
  333   2HG   GLU  39          1HG       GLU  39  10.747   7.019   7.019
  334    H    LEU  40           H        LEU  40  12.277   6.238   6.238
  335    HA   LEU  40           HA       LEU  40  13.654   3.676   3.676
  336   1HB   LEU  40          2HB       LEU  40  12.972   5.529   5.529
  337   2HB   LEU  40          1HB       LEU  40  13.664   3.927   3.927
  338    HG   LEU  40           HG       LEU  40  10.955   4.663   4.663
  339   1HD1  LEU  40          1HD1      LEU  40  12.049   3.626   3.626
  340   2HD1  LEU  40          3HD1      LEU  40  10.996   2.405   2.405
  341   3HD1  LEU  40          2HD1      LEU  40  10.364   4.013   4.013
  342   1HD2  LEU  40          3HD2      LEU  40  12.586   2.158   2.158
  343   2HD2  LEU  40          2HD2      LEU  40  11.639   3.071   3.071
  344   3HD2  LEU  40          1HD2      LEU  40  10.821   2.085   2.085
  345    H    SER  41           H        SER  41  15.281   5.679   5.679
  346    HA   SER  41           HA       SER  41  17.166   7.022   7.022
  347   1HB   SER  41          2HB       SER  41  17.403   5.371   5.371
  348   2HB   SER  41          1HB       SER  41  18.734   6.360   6.360
  349    HG   SER  41           HG       SER  41  17.205   8.133   8.133
  350    H    HIS  42           H        HIS  42  16.790   3.550   3.550
  351    HA   HIS  42           HA       HIS  42  19.389   2.719   2.719
  352   1HB   HIS  42          2HB       HIS  42  16.632   1.657   1.657
  353   2HB   HIS  42          1HB       HIS  42  17.667   0.837   0.837
  354    HD1  HIS  42           HD1      HIS  42  17.642   1.835   1.835
  355    HD2  HIS  42           HD2      HIS  42  19.555  -0.867  -0.867
  356    HE1  HIS  42           HE1      HIS  42  19.019   0.313   0.313
  357    H    PHE  43           H        PHE  43  16.505   2.182   2.182
  358    HA   PHE  43           HA       PHE  43  17.754   2.297   2.297
  359   1HB   PHE  43          2HB       PHE  43  15.638   1.595   1.595
  360   2HB   PHE  43          1HB       PHE  43  15.110   2.182   2.182
  361    HD1  PHE  43           HD2      PHE  43  14.918   4.891   4.891
  362    HD2  PHE  43           HD1      PHE  43  14.639   2.499   2.499
  363    HE1  PHE  43           HE2      PHE  43  13.650   6.699   6.699
  364    HE2  PHE  43           HE1      PHE  43  13.378   4.315   4.315
  365    HZ   PHE  43           HZ       PHE  43  12.883   6.416   6.416
  366    H    LEU  44           H        LEU  44  16.978   4.883   4.883
  367    HA   LEU  44           HA       LEU  44  16.537   7.067   7.067
  368   1HB   LEU  44          2HB       LEU  44  16.648   7.965   7.965
  369   2HB   LEU  44          1HB       LEU  44  17.224   6.417   6.417
  370    HG   LEU  44           HG       LEU  44  19.559   7.137   7.137
  371   1HD1  LEU  44          3HD1      LEU  44  18.122   9.101   9.101
  372   2HD1  LEU  44          2HD1      LEU  44  18.881   9.969   9.969
  373   3HD1  LEU  44          1HD1      LEU  44  19.874   9.048   9.048
  374   1HD2  LEU  44          1HD2      LEU  44  17.962   8.763   8.763
  375   2HD2  LEU  44          3HD2      LEU  44  18.973   7.356   7.356
  376   3HD2  LEU  44          2HD2      LEU  44  19.717   8.890   8.890
  377    H    GLU  45           H        GLU  45  19.408   5.184   5.184
  378    HA   GLU  45           HA       GLU  45  21.330   6.934   6.934
  379   1HB   GLU  45          2HB       GLU  45  21.154   4.360   4.360
  380   2HB   GLU  45          1HB       GLU  45  22.131   4.218   4.218
  381   1HG   GLU  45          2HG       GLU  45  22.597   6.547   6.547
  382   2HG   GLU  45          1HG       GLU  45  23.251   4.969   4.969
  383    H    GLU  46           H        GLU  46  19.086   4.460   4.460
  384    HA   GLU  46           HA       GLU  46  18.285   3.759   3.759
  385   1HB   GLU  46          2HB       GLU  46  18.534   6.381   6.381
  386   2HB   GLU  46          1HB       GLU  46  19.844   6.021   6.021
  387   1HG   GLU  46          2HG       GLU  46  18.309   5.762   5.762
  388   2HG   GLU  46          1HG       GLU  46  17.683   4.363   4.363
  389    H    ILE  47           H        ILE  47  21.501   5.162   5.162
  390    HA   ILE  47           HA       ILE  47  22.409   3.452   3.452
  391    HB   ILE  47           HB       ILE  47  23.484   5.446   5.446
  392   1HG1  ILE  47          2HG1      ILE  47  24.558   4.430   4.430
  393   2HG1  ILE  47          1HG1      ILE  47  25.772   4.695   4.695
  394   1HG2  ILE  47          2HG2      ILE  47  23.502   3.727   3.727
  395   2HG2  ILE  47          1HG2      ILE  47  25.104   3.399   3.399
  396   3HG2  ILE  47          3HG2      ILE  47  24.673   5.036   5.036
  397   1HD1  ILE  47          1HD1      ILE  47  25.126   2.246   2.246
  398   2HD1  ILE  47          3HD1      ILE  47  24.550   2.121   2.121
  399   3HD1  ILE  47          2HD1      ILE  47  26.242   2.501   2.501
  400    H    LYS  48           H        LYS  48  22.005   2.678   2.678
  401    HA   LYS  48           HA       LYS  48  23.572   0.300   0.300
  402   1HB   LYS  48          2HB       LYS  48  21.653   1.772   1.772
  403   2HB   LYS  48          1HB       LYS  48  21.151   0.080   0.080
  404   1HG   LYS  48          2HG       LYS  48  22.634  -0.011  -0.011
  405   2HG   LYS  48          1HG       LYS  48  23.774  -0.281  -0.281
  406   1HD   LYS  48          2HD       LYS  48  24.879   1.486   1.486
  407   2HD   LYS  48          1HD       LYS  48  23.686   2.443   2.443
  408   1HE   LYS  48          2HE       LYS  48  23.777   3.160   3.160
  409   2HE   LYS  48          1HE       LYS  48  22.212   2.393   2.393
  410   1HZ   LYS  48          1HZ       LYS  48  24.476   0.713   0.713
  411   2HZ   LYS  48          3HZ       LYS  48  23.651   1.596   1.596
  412   3HZ   LYS  48          2HZ       LYS  48  22.812   0.468   0.468
  413    H    GLU  49           H        GLU  49  20.724   1.027   1.027
  414    HA   GLU  49           HA       GLU  49  20.482  -1.805  -1.805
  415   1HB   GLU  49          2HB       GLU  49  17.950  -1.525  -1.525
  416   2HB   GLU  49          1HB       GLU  49  18.950  -1.733  -1.733
  417   1HG   GLU  49          2HG       GLU  49  19.049   0.787   0.787
  418   2HG   GLU  49          1HG       GLU  49  17.844   0.862   0.862
  419    H    GLN  50           H        GLN  50  21.304  -0.858  -0.858
  420    HA   GLN  50           HA       GLN  50  20.177   1.336   1.336
  421   1HB   GLN  50          2HB       GLN  50  21.883  -0.991  -0.991
  422   2HB   GLN  50          1HB       GLN  50  20.962  -0.511  -0.511
  423   1HG   GLN  50          2HG       GLN  50  21.725   1.898   1.898
  424   2HG   GLN  50          1HG       GLN  50  22.923   1.126   1.126
  425   1HE2  GLN  50          2HE2      GLN  50  24.622  -0.434  -0.434
  426   2HE2  GLN  50          1HE2      GLN  50  24.136  -0.791  -0.791
  427    H    GLU  51           H        GLU  51  19.467  -2.143  -2.143
  428    HA   GLU  51           HA       GLU  51  17.376  -1.901  -1.901
  429   1HB   GLU  51          2HB       GLU  51  18.397  -4.000  -4.000
  430   2HB   GLU  51          1HB       GLU  51  17.583  -3.782  -3.782
  431   1HG   GLU  51          2HG       GLU  51  15.411  -3.625  -3.625
  432   2HG   GLU  51          1HG       GLU  51  16.381  -4.406  -4.406
  433    H    VAL  52           H        VAL  52  17.244  -1.406  -1.406
  434    HA   VAL  52           HA       VAL  52  14.343  -1.123  -1.123
  435    HB   VAL  52           HB       VAL  52  16.564  -0.299  -0.299
  436   1HG1  VAL  52          3HG1      VAL  52  13.572  -0.609  -0.609
  437   2HG1  VAL  52          2HG1      VAL  52  14.750  -0.302  -0.302
  438   3HG1  VAL  52          1HG1      VAL  52  14.470   0.909   0.909
  439   1HG2  VAL  52          1HG2      VAL  52  16.367  -2.758  -2.758
  440   2HG2  VAL  52          3HG2      VAL  52  16.134  -2.399  -2.399
  441   3HG2  VAL  52          2HG2      VAL  52  14.740  -2.722  -2.722
  442    H    VAL  53           H        VAL  53  17.119   0.990   0.990
  443    HA   VAL  53           HA       VAL  53  15.748   3.507   3.507
  444    HB   VAL  53           HB       VAL  53  18.127   2.736   2.736
  445   1HG1  VAL  53          2HG1      VAL  53  17.120   5.358   5.358
  446   2HG1  VAL  53          1HG1      VAL  53  18.776   5.147   5.147
  447   3HG1  VAL  53          3HG1      VAL  53  17.426   4.948   4.948
  448   1HG2  VAL  53          3HG2      VAL  53  17.770   2.771   2.771
  449   2HG2  VAL  53          2HG2      VAL  53  19.178   2.268   2.268
  450   3HG2  VAL  53          1HG2      VAL  53  18.978   3.961   3.961
  451    H    ASP  54           H        ASP  54  16.089   1.124   1.124
  452    HA   ASP  54           HA       ASP  54  15.050   2.698   2.698
  453   1HB   ASP  54          2HB       ASP  54  16.284   0.803   0.803
  454   2HB   ASP  54          1HB       ASP  54  15.572  -0.184  -0.184
  455    H    LYS  55           H        LYS  55  13.654   0.418   0.418
  456    HA   LYS  55           HA       LYS  55  10.938   0.673   0.673
  457   1HB   LYS  55          2HB       LYS  55  12.336  -0.599  -0.599
  458   2HB   LYS  55          1HB       LYS  55  10.572  -0.540  -0.540
  459   1HG   LYS  55          2HG       LYS  55  10.944  -2.551  -2.551
  460   2HG   LYS  55          1HG       LYS  55  10.930  -1.443  -1.443
  461   1HD   LYS  55          2HD       LYS  55  13.428  -1.266  -1.266
  462   2HD   LYS  55          1HD       LYS  55  13.367  -2.530  -2.530
  463   1HE   LYS  55          2HE       LYS  55  12.095  -2.963  -2.963
  464   2HE   LYS  55          1HE       LYS  55  13.821  -3.281  -3.281
  465   1HZ   LYS  55          2HZ       LYS  55  13.196  -4.618  -4.618
  466   2HZ   LYS  55          1HZ       LYS  55  11.556  -4.406  -4.406
  467   3HZ   LYS  55          3HZ       LYS  55  12.575  -5.261  -5.261
  468    H    VAL  56           H        VAL  56  12.397   1.532   1.532
  469    HA   VAL  56           HA       VAL  56  10.461   3.036   3.036
  470    HB   VAL  56           HB       VAL  56  13.444   3.402   3.402
  471   1HG1  VAL  56          3HG1      VAL  56  12.289   5.642   5.642
  472   2HG1  VAL  56          2HG1      VAL  56  11.757   4.968   4.968
  473   3HG1  VAL  56          1HG1      VAL  56  13.477   5.151   5.151
  474   1HG2  VAL  56          3HG2      VAL  56  12.422   1.488   1.488
  475   2HG2  VAL  56          2HG2      VAL  56  13.507   2.520   2.520
  476   3HG2  VAL  56          1HG2      VAL  56  11.762   2.693   2.693
  477    H    MET  57           H        MET  57  12.638   4.240   4.240
  478    HA   MET  57           HA       MET  57  11.462   6.885   6.885
  479   1HB   MET  57          2HB       MET  57  13.213   5.221   5.221
  480   2HB   MET  57          1HB       MET  57  12.755   6.878   6.878
  481   1HG   MET  57          2HG       MET  57  13.590   7.332   7.332
  482   2HG   MET  57          1HG       MET  57  14.534   5.874   5.874
  483   1HE   MET  57          2HE       MET  57  13.995   9.335   9.335
  484   2HE   MET  57          1HE       MET  57  15.673   9.239   9.239
  485   3HE   MET  57          3HE       MET  57  15.262  10.054  10.054
  486    H    GLU  58           H        GLU  58  11.026   3.923   3.923
  487    HA   GLU  58           HA       GLU  58   9.186   5.028   5.028
  488   1HB   GLU  58          2HB       GLU  58  10.227   3.000   3.000
  489   2HB   GLU  58          1HB       GLU  58   9.878   2.303   2.303
  490   1HG   GLU  58          2HG       GLU  58   8.399   1.285   1.285
  491   2HG   GLU  58          1HG       GLU  58   7.440   2.326   2.326
  492    H    THR  59           H        THR  59   8.535   2.974   2.974
  493    HA   THR  59           HA       THR  59   5.735   3.045   3.045
  494    HB   THR  59           HB       THR  59   7.770   3.070   3.070
  495    HG1  THR  59           HG1      THR  59   7.907   1.049   1.049
  496   1HG2  THR  59          2HG2      THR  59   5.288   3.768   3.768
  497   2HG2  THR  59          1HG2      THR  59   4.967   2.048   2.048
  498   3HG2  THR  59          3HG2      THR  59   6.105   2.590   2.590
  499    H    LEU  60           H        LEU  60   7.891   5.301   5.301
  500    HA   LEU  60           HA       LEU  60   5.969   7.041   7.041
  501   1HB   LEU  60          2HB       LEU  60   8.758   6.906   6.906
  502   2HB   LEU  60          1HB       LEU  60   8.269   8.464   8.464
  503    HG   LEU  60           HG       LEU  60   7.537   7.440   7.440
  504   1HD1  LEU  60          3HD1      LEU  60   9.610   9.403   9.403
  505   2HD1  LEU  60          2HD1      LEU  60   9.027   9.420   9.420
  506   3HD1  LEU  60          1HD1      LEU  60   9.854   7.996   7.996
  507   1HD2  LEU  60          2HD2      LEU  60   6.619   9.674   9.674
  508   2HD2  LEU  60          1HD2      LEU  60   5.862   8.957   8.957
  509   3HD2  LEU  60          3HD2      LEU  60   7.132  10.167  10.167
  510    H    ASP  61           H        ASP  61   7.456   7.137   7.137
  511    HA   ASP  61           HA       ASP  61   6.257   9.523   9.523
  512   1HB   ASP  61          2HB       ASP  61   7.991   7.686   7.686
  513   2HB   ASP  61          1HB       ASP  61   6.551   7.180   7.180
  514    H    SER  62           H        SER  62   5.013   6.177   6.177
  515    HA   SER  62           HA       SER  62   2.476   7.052   7.052
  516   1HB   SER  62          2HB       SER  62   2.147   4.441   4.441
  517   2HB   SER  62          1HB       SER  62   3.071   4.985   4.985
  518    HG   SER  62           HG       SER  62   4.607   3.873   3.873
  519    H    ASP  63           H        ASP  63   3.740   6.141   6.141
  520    HA   ASP  63           HA       ASP  63   1.631   5.404   5.404
  521   1HB   ASP  63          2HB       ASP  63   3.973   6.014   6.014
  522   2HB   ASP  63          1HB       ASP  63   3.498   7.715   7.715
  523    H    GLY  64           H        GLY  64  -0.415   6.202   6.202
  524   1HA   GLY  64          2HA       GLY  64  -2.092   7.833   7.833
  525   2HA   GLY  64          1HA       GLY  64  -1.705   8.274   8.274
  526    H    ASP  65           H        ASP  65   0.414   8.541   8.541
  527    HA   ASP  65           HA       ASP  65   1.737  10.835  10.835
  528   1HB   ASP  65          2HB       ASP  65   1.899   9.572   9.572
  529   2HB   ASP  65          1HB       ASP  65   0.230   9.940   9.940
  530    H    GLY  66           H        GLY  66   0.785  12.519  12.519
  531   1HA   GLY  66          2HA       GLY  66  -0.171  14.776  14.776
  532   2HA   GLY  66          1HA       GLY  66  -1.461  13.952  13.952
  533    H    GLU  67           H        GLU  67  -1.477  11.816  11.816
  534    HA   GLU  67           HA       GLU  67  -2.542  13.363  13.363
  535   1HB   GLU  67          2HB       GLU  67  -4.378  13.209  13.209
  536   2HB   GLU  67          1HB       GLU  67  -4.145  11.465  11.465
  537   1HG   GLU  67          2HG       GLU  67  -5.088  11.041  11.041
  538   2HG   GLU  67          1HG       GLU  67  -4.575  12.590  12.590
  539    H    CYS  68           H        CYS  68  -0.990  12.319  12.319
  540    HA   CYS  68           HA       CYS  68  -0.849   9.362   9.362
  541   1HB   CYS  68          2HB       CYS  68   0.490  11.495  11.495
  542   2HB   CYS  68          1HB       CYS  68   0.964   9.801   9.801
  543    HG   CYS  68           HG       CYS  68   1.481  10.280  10.280
  544    H    ASP  69           H        ASP  69  -2.987   8.847   8.847
  545    HA   ASP  69           HA       ASP  69  -3.854   9.990   9.990
  546   1HB   ASP  69          2HB       ASP  69  -5.045   8.000   8.000
  547   2HB   ASP  69          1HB       ASP  69  -5.853   8.567   8.567
  548    H    PHE  70           H        PHE  70  -4.933   8.286   8.286
  549    HA   PHE  70           HA       PHE  70  -3.219   6.960   6.960
  550   1HB   PHE  70          2HB       PHE  70  -5.952   6.089   6.089
  551   2HB   PHE  70          1HB       PHE  70  -5.164   5.548   5.548
  552    HD1  PHE  70           HD2      PHE  70  -4.481   7.267   7.267
  553    HD2  PHE  70           HD1      PHE  70  -7.016   8.215   8.215
  554    HE1  PHE  70           HE2      PHE  70  -5.260   9.313   9.313
  555    HE2  PHE  70           HE1      PHE  70  -7.757  10.280  10.280
  556    HZ   PHE  70           HZ       PHE  70  -6.869  10.838  10.838
  557    H    GLN  71           H        GLN  71  -5.113   4.801   4.801
  558    HA   GLN  71           HA       GLN  71  -3.420   2.601   2.601
  559   1HB   GLN  71          2HB       GLN  71  -4.533   1.897   1.897
  560   2HB   GLN  71          1HB       GLN  71  -5.691   2.717   2.717
  561   1HG   GLN  71          2HG       GLN  71  -6.121   4.172   4.172
  562   2HG   GLN  71          1HG       GLN  71  -4.449   4.727   4.727
  563   1HE2  GLN  71          2HE2      GLN  71  -4.711   3.574   3.574
  564   2HE2  GLN  71          1HE2      GLN  71  -5.140   4.914   4.914
  565    H    GLU  72           H        GLU  72  -2.968   5.557   5.557
  566    HA   GLU  72           HA       GLU  72  -0.808   4.480   4.480
  567   1HB   GLU  72          2HB       GLU  72  -1.218   7.400   7.400
  568   2HB   GLU  72          1HB       GLU  72  -0.846   6.613   6.613
  569   1HG   GLU  72          2HG       GLU  72  -3.287   5.524   5.524
  570   2HG   GLU  72          1HG       GLU  72  -3.457   7.142   7.142
  571    H    PHE  73           H        PHE  73  -1.069   6.703   6.703
  572    HA   PHE  73           HA       PHE  73   1.641   7.205   7.205
  573   1HB   PHE  73          2HB       PHE  73  -0.185   8.282   8.282
  574   2HB   PHE  73          1HB       PHE  73  -0.842   6.747   6.747
  575    HD1  PHE  73           HD2      PHE  73   1.317   5.361   5.361
  576    HD2  PHE  73           HD1      PHE  73   0.485   9.573   9.573
  577    HE1  PHE  73           HE2      PHE  73   2.441   5.638   5.638
  578    HE2  PHE  73           HE1      PHE  73   1.595   9.835   9.835
  579    HZ   PHE  73           HZ       PHE  73   2.569   7.873   7.873
  580    H    MET  74           H        MET  74  -0.408   4.489   4.489
  581    HA   MET  74           HA       MET  74   1.784   3.033   3.033
  582   1HB   MET  74          2HB       MET  74  -1.113   2.928   2.928
  583   2HB   MET  74          1HB       MET  74  -0.386   1.327   1.327
  584   1HG   MET  74          2HG       MET  74   0.920   1.871   1.871
  585   2HG   MET  74          1HG       MET  74  -0.145   3.264   3.264
  586   1HE   MET  74          1HE       MET  74  -1.702   3.352   3.352
  587   2HE   MET  74          3HE       MET  74  -3.061   2.858   2.858
  588   3HE   MET  74          2HE       MET  74  -2.856   2.157   2.157
  589    H    ALA  75           H        ALA  75   0.423   3.251   3.251
  590    HA   ALA  75           HA       ALA  75   1.145   0.652   0.652
  591   1HB   ALA  75          3HB       ALA  75   0.676   3.397   3.397
  592   2HB   ALA  75          2HB       ALA  75   1.084   2.029   2.029
  593   3HB   ALA  75          1HB       ALA  75  -0.390   1.992   1.992
  594    H    PHE  76           H        PHE  76   2.703   3.800   3.800
  595    HA   PHE  76           HA       PHE  76   5.112   2.706   2.706
  596   1HB   PHE  76          2HB       PHE  76   4.150   4.998   4.998
  597   2HB   PHE  76          1HB       PHE  76   4.589   5.377   5.377
  598    HD1  PHE  76           HD2      PHE  76   6.017   4.235   4.235
  599    HD2  PHE  76           HD1      PHE  76   6.762   6.088   6.088
  600    HE1  PHE  76           HE2      PHE  76   8.310   4.825   4.825
  601    HE2  PHE  76           HE1      PHE  76   9.057   6.680   6.680
  602    HZ   PHE  76           HZ       PHE  76   9.830   6.049   6.049
  603    H    VAL  77           H        VAL  77   4.382   4.110   4.110
  604    HA   VAL  77           HA       VAL  77   6.886   3.793   3.793
  605    HB   VAL  77           HB       VAL  77   4.519   4.570   4.570
  606   1HG1  VAL  77          2HG1      VAL  77   4.632   1.671   1.671
  607   2HG1  VAL  77          1HG1      VAL  77   3.532   2.876   2.876
  608   3HG1  VAL  77          3HG1      VAL  77   3.404   2.410   2.410
  609   1HG2  VAL  77          2HG2      VAL  77   6.773   4.649   4.649
  610   2HG2  VAL  77          1HG2      VAL  77   5.372   4.528   4.528
  611   3HG2  VAL  77          3HG2      VAL  77   6.353   3.100   3.100
  612    H    ALA  78           H        ALA  78   4.424   1.356   1.356
  613    HA   ALA  78           HA       ALA  78   5.971  -0.850  -0.850
  614   1HB   ALA  78          2HB       ALA  78   3.382  -0.490  -0.490
  615   2HB   ALA  78          1HB       ALA  78   3.691  -1.100  -1.100
  616   3HB   ALA  78          3HB       ALA  78   4.057  -2.103  -2.103
  617    H    MET  79           H        MET  79   5.498   0.662   0.662
  618    HA   MET  79           HA       MET  79   6.603  -1.439  -1.439
  619   1HB   MET  79          2HB       MET  79   5.308   0.855   0.855
  620   2HB   MET  79          1HB       MET  79   6.950   1.459   1.459
  621   1HG   MET  79          2HG       MET  79   5.585  -0.759  -0.759
  622   2HG   MET  79          1HG       MET  79   6.242   0.747   0.747
  623   1HE   MET  79          1HE       MET  79   8.674   1.156   1.156
  624   2HE   MET  79          3HE       MET  79  10.047   0.274   0.274
  625   3HE   MET  79          2HE       MET  79   9.005   1.234   1.234
  626    H    ILE  80           H        ILE  80   8.052   1.352   1.352
  627    HA   ILE  80           HA       ILE  80  10.730   0.886   0.886
  628    HB   ILE  80           HB       ILE  80  10.028   2.221   2.221
  629   1HG1  ILE  80          2HG1      ILE  80   8.400   3.120   3.120
  630   2HG1  ILE  80          1HG1      ILE  80   9.692   4.302   4.302
  631   1HG2  ILE  80          2HG2      ILE  80  12.162   2.504   2.504
  632   2HG2  ILE  80          1HG2      ILE  80  11.833   3.805   3.805
  633   3HG2  ILE  80          3HG2      ILE  80  12.353   2.225   2.225
  634   1HD1  ILE  80          1HD1      ILE  80  10.093   2.316   2.316
  635   2HD1  ILE  80          3HD1      ILE  80   8.671   3.327   3.327
  636   3HD1  ILE  80          2HD1      ILE  80  10.262   4.066   4.066
  637    H    THR  81           H        THR  81   9.430   0.505   0.505
  638    HA   THR  81           HA       THR  81  11.552  -0.950  -0.950
  639    HB   THR  81           HB       THR  81   8.568  -1.218  -1.218
  640    HG1  THR  81           HG1      THR  81  10.576   0.292   0.292
  641   1HG2  THR  81          2HG2      THR  81  10.774  -2.710  -2.710
  642   2HG2  THR  81          1HG2      THR  81  10.110  -1.693  -1.693
  643   3HG2  THR  81          3HG2      THR  81   9.065  -2.827  -2.827
  644    H    THR  82           H        THR  82   9.269  -2.052  -2.052
  645    HA   THR  82           HA       THR  82   9.771  -4.893  -4.893
  646    HB   THR  82           HB       THR  82   8.587  -4.968  -4.968
  647    HG1  THR  82           HG1      THR  82   8.746  -2.868  -2.868
  648   1HG2  THR  82          3HG2      THR  82   7.590  -5.550  -5.550
  649   2HG2  THR  82          2HG2      THR  82   7.119  -3.861  -3.861
  650   3HG2  THR  82          1HG2      THR  82   6.425  -4.835  -4.835
  651    H    ALA  83           H        ALA  83  11.881  -2.770  -2.770
  652    HA   ALA  83           HA       ALA  83  13.020  -3.961  -3.961
  653   1HB   ALA  83          1HB       ALA  83  13.640  -1.620  -1.620
  654   2HB   ALA  83          3HB       ALA  83  14.740  -2.107  -2.107
  655   3HB   ALA  83          2HB       ALA  83  13.100  -1.588  -1.588
  656    H    CYS  84           H        CYS  84  13.494  -3.919  -3.919
  657    HA   CYS  84           HA       CYS  84  16.099  -4.653  -4.653
  658   1HB   CYS  84          2HB       CYS  84  14.351  -4.386  -4.386
  659   2HB   CYS  84          1HB       CYS  84  13.564  -5.864  -5.864
  660    HG   CYS  84           HG       CYS  84  16.458  -5.951  -5.951
  661    H    HIS  85           H        HIS  85  14.253  -7.525  -7.525
  662    HA   HIS  85           HA       HIS  85  15.030  -8.970  -8.970
  663   1HB   HIS  85          2HB       HIS  85  17.236  -8.693  -8.693
  664   2HB   HIS  85          1HB       HIS  85  16.659  -9.198  -9.198
  665    HD1  HIS  85           HD1      HIS  85  15.528 -11.034 -11.034
  666    HD2  HIS  85           HD2      HIS  85  18.339 -11.516 -11.516
  667    HE1  HIS  85           HE1      HIS  85  16.363 -13.421 -13.421
  668    H    GLU  86           H        GLU  86  15.340 -10.436 -10.436
  669    HA   GLU  86           HA       GLU  86  13.523 -12.517 -12.517
  670   1HB   GLU  86          2HB       GLU  86  14.364 -10.824 -10.824
  671   2HB   GLU  86          1HB       GLU  86  13.267 -12.188 -12.188
  672   1HG   GLU  86          2HG       GLU  86  15.620 -12.817 -12.817
  673   2HG   GLU  86          1HG       GLU  86  16.016 -12.365 -12.365
  674    H    PHE  87           H        PHE  87  11.258 -12.699 -12.699
  675    HA   PHE  87           HA       PHE  87   9.005 -12.000 -12.000
  676   1HB   PHE  87          2HB       PHE  87   8.385 -10.769 -10.769
  677   2HB   PHE  87          1HB       PHE  87   9.956 -11.409 -11.409
  678    HD1  PHE  87           HD2      PHE  87  12.015  -9.950  -9.950
  679    HD2  PHE  87           HD1      PHE  87   7.981  -8.422  -8.422
  680    HE1  PHE  87           HE2      PHE  87  12.890  -7.648  -7.648
  681    HE2  PHE  87           HE1      PHE  87   8.902  -6.104  -6.104
  682    HZ   PHE  87           HZ       PHE  87  11.333  -5.723  -5.723
  683    H    PHE  88           H        PHE  88   7.962  -9.336  -9.336
  684    HA   PHE  88           HA       PHE  88   7.311  -7.794  -7.794
  685   1HB   PHE  88          2HB       PHE  88   9.745  -7.337  -7.337
  686   2HB   PHE  88          1HB       PHE  88   9.640  -6.371  -6.371
  687    HD1  PHE  88           HD1      PHE  88   6.921  -7.617  -7.617
  688    HD2  PHE  88           HD2      PHE  88   9.002  -4.182  -4.182
  689    HE1  PHE  88           HE1      PHE  88   5.245  -6.157  -6.157
  690    HE2  PHE  88           HE2      PHE  88   7.332  -2.705  -2.705
  691    HZ   PHE  88           HZ       PHE  88   5.447  -3.691  -3.691
  692    H    GLU  89           H        GLU  89   8.244 -10.186 -10.186
  693    HA   GLU  89           HA       GLU  89  10.186  -9.392  -9.392
  694   1HB   GLU  89          2HB       GLU  89   8.764 -11.762 -11.762
  695   2HB   GLU  89          1HB       GLU  89   8.840 -11.705 -11.705
  696   1HG   GLU  89          2HG       GLU  89  11.380 -10.922 -10.922
  697   2HG   GLU  89          1HG       GLU  89  10.890 -12.513 -12.513
  698    H    HIS  90           H        HIS  90   9.681  -8.613  -8.613
  699    HA   HIS  90           HA       HIS  90   8.350  -7.680  -7.680
  700   1HB   HIS  90          2HB       HIS  90   7.702 -10.298 -10.298
  701   2HB   HIS  90          1HB       HIS  90   6.130  -9.537  -9.537
  702    HD1  HIS  90           HD1      HIS  90   5.148 -10.335 -10.335
  703    HD2  HIS  90           HD2      HIS  90   8.633  -8.088  -8.088
  704    HE1  HIS  90           HE1      HIS  90   5.354  -9.795  -9.795
  705    H    GLU  91           H        GLU  91   7.959  -5.673  -5.673
  706    HA   GLU  91           HA       GLU  91   6.187  -5.049  -5.049
  707   1HB   GLU  91          2HB       GLU  91   5.810  -2.911  -2.911
  708   2HB   GLU  91          1HB       GLU  91   7.482  -3.342  -3.342
  709   1HG   GLU  91          2HG       GLU  91   6.502  -4.632  -4.632
  710   2HG   GLU  91          1HG       GLU  91   6.450  -2.871  -2.871
  711   1H    MET   0          3H        MET   0   5.865   9.160   9.160
  712   2H    MET   0          2H        MET   0   6.317  10.512  10.512
  713   3H    MET   0          1H        MET   0   4.829  10.498  10.498
  714    HA   MET   0           HA       MET   0   5.806  11.487  11.487
  715   1HB   MET   0          2HB       MET   0   7.489  11.927  11.927
  716   2HB   MET   0          1HB       MET   0   8.540  10.856  10.856
  717   1HG   MET   0          2HG       MET   0   7.407  12.653  12.653
  718   2HG   MET   0          1HG       MET   0   7.910  13.629  13.629
  719   1HE   MET   0          1HE       MET   0   8.889  10.886  10.886
  720   2HE   MET   0          3HE       MET   0   8.906  12.490  12.490
  721   3HE   MET   0          2HE       MET   0  10.397  11.562  11.562
  722    H    SER   1           H        SER   1   7.860   8.697   8.697
  723    HA   SER   1           HA       SER   1   8.244   7.973   7.973
  724   1HB   SER   1          2HB       SER   1   9.570   6.104   6.104
  725   2HB   SER   1          1HB       SER   1  10.150   7.759   7.759
  726    HG   SER   1           HG       SER   1   8.847   6.092   6.092
  727    H    GLU   2           H        GLU   2   5.907   7.404   7.404
  728    HA   GLU   2           HA       GLU   2   5.162   4.766   4.766
  729   1HB   GLU   2          2HB       GLU   2   3.462   7.206   7.206
  730   2HB   GLU   2          1HB       GLU   2   2.827   5.670   5.670
  731   1HG   GLU   2          2HG       GLU   2   5.039   6.511   6.511
  732   2HG   GLU   2          1HG       GLU   2   3.847   7.807   7.807
  733    H    LEU   3           H        LEU   3   5.064   6.895   6.895
  734    HA   LEU   3           HA       LEU   3   3.413   5.305   5.305
  735   1HB   LEU   3          2HB       LEU   3   4.476   6.686   6.686
  736   2HB   LEU   3          1HB       LEU   3   3.850   7.598   7.598
  737    HG   LEU   3           HG       LEU   3   6.393   7.089   7.089
  738   1HD1  LEU   3          3HD1      LEU   3   6.752   6.105   6.105
  739   2HD1  LEU   3          2HD1      LEU   3   6.589   7.752   7.752
  740   3HD1  LEU   3          1HD1      LEU   3   7.898   7.344   7.344
  741   1HD2  LEU   3          3HD2      LEU   3   5.066   9.225   9.225
  742   2HD2  LEU   3          2HD2      LEU   3   6.764   9.433   9.433
  743   3HD2  LEU   3          1HD2      LEU   3   5.531   9.419   9.419
  744    H    GLU   4           H        GLU   4   6.997   5.451   5.451
  745    HA   GLU   4           HA       GLU   4   7.250   3.193   3.193
  746   1HB   GLU   4          2HB       GLU   4   8.915   5.137   5.137
  747   2HB   GLU   4          1HB       GLU   4   9.701   3.608   3.608
  748   1HG   GLU   4          2HG       GLU   4   8.348   5.474   5.474
  749   2HG   GLU   4          1HG       GLU   4  10.082   5.186   5.186
  750    H    LYS   5           H        LYS   5   8.135   3.785   3.785
  751    HA   LYS   5           HA       LYS   5   8.911   1.203   1.203
  752   1HB   LYS   5          2HB       LYS   5   7.193   3.204   3.204
  753   2HB   LYS   5          1HB       LYS   5   8.173   1.933   1.933
  754   1HG   LYS   5          2HG       LYS   5   9.620   3.732   3.732
  755   2HG   LYS   5          1HG       LYS   5   9.068   4.479   4.479
  756   1HD   LYS   5          2HD       LYS   5  10.553   1.847   1.847
  757   2HD   LYS   5          1HD       LYS   5  11.390   3.398   3.398
  758   1HE   LYS   5          2HE       LYS   5  10.154   3.976   3.976
  759   2HE   LYS   5          1HE       LYS   5   9.281   2.432   2.432
  760   1HZ   LYS   5          1HZ       LYS   5  11.770   1.581   1.581
  761   2HZ   LYS   5          3HZ       LYS   5  12.072   2.946   2.946
  762   3HZ   LYS   5          2HZ       LYS   5  11.028   1.727   1.727
  763    H    ALA   6           H        ALA   6   5.740   2.453   2.453
  764    HA   ALA   6           HA       ALA   6   4.136   0.326   0.326
  765   1HB   ALA   6          2HB       ALA   6   3.893   2.402   2.402
  766   2HB   ALA   6          1HB       ALA   6   2.641   1.172   1.172
  767   3HB   ALA   6          3HB       ALA   6   2.987   2.271   2.271
  768    H    VAL   7           H        VAL   7   5.843   0.820   0.820
  769    HA   VAL   7           HA       VAL   7   4.921  -1.535  -1.535
  770    HB   VAL   7           HB       VAL   7   6.874   0.634   0.634
  771   1HG1  VAL   7          3HG1      VAL   7   8.351  -1.525  -1.525
  772   2HG1  VAL   7          2HG1      VAL   7   7.654  -1.827  -1.827
  773   3HG1  VAL   7          1HG1      VAL   7   8.578  -0.352  -0.352
  774   1HG2  VAL   7          2HG2      VAL   7   4.691  -0.302  -0.302
  775   2HG2  VAL   7          1HG2      VAL   7   5.850   0.853   0.853
  776   3HG2  VAL   7          3HG2      VAL   7   6.006  -0.864  -0.864
  777    H    VAL   8           H        VAL   8   7.931  -0.860  -0.860
  778    HA   VAL   8           HA       VAL   8   9.114  -3.382  -3.382
  779    HB   VAL   8           HB       VAL   8   8.758  -1.203  -1.203
  780   1HG1  VAL   8          2HG1      VAL   8   9.749  -3.925  -3.925
  781   2HG1  VAL   8          1HG1      VAL   8  10.957  -2.705  -2.705
  782   3HG1  VAL   8          3HG1      VAL   8   9.382  -2.683  -2.683
  783   1HG2  VAL   8          2HG2      VAL   8  10.897  -2.084  -2.084
  784   2HG2  VAL   8          1HG2      VAL   8  10.185  -0.484  -0.484
  785   3HG2  VAL   8          3HG2      VAL   8  11.312  -1.106  -1.106
  786    H    ALA   9           H        ALA   9   6.215  -2.275  -2.275
  787    HA   ALA   9           HA       ALA   9   5.931  -4.648  -4.648
  788   1HB   ALA   9          3HB       ALA   9   5.093  -2.267  -2.267
  789   2HB   ALA   9          2HB       ALA   9   3.856  -2.587  -2.587
  790   3HB   ALA   9          1HB       ALA   9   3.904  -3.543  -3.543
  791    H    LEU  10           H        LEU  10   3.953  -3.342  -3.342
  792    HA   LEU  10           HA       LEU  10   2.307  -5.555  -5.555
  793   1HB   LEU  10          2HB       LEU  10   3.653  -3.630  -3.630
  794   2HB   LEU  10          1HB       LEU  10   2.298  -4.675  -4.675
  795    HG   LEU  10           HG       LEU  10   1.767  -3.192  -3.192
  796   1HD1  LEU  10          3HD1      LEU  10   3.102  -1.770  -1.770
  797   2HD1  LEU  10          2HD1      LEU  10   1.446  -1.190  -1.190
  798   3HD1  LEU  10          1HD1      LEU  10   2.524  -1.152  -1.152
  799   1HD2  LEU  10          1HD2      LEU  10   0.476  -3.942  -3.942
  800   2HD2  LEU  10          3HD2      LEU  10  -0.199  -3.892  -3.892
  801   3HD2  LEU  10          2HD2      LEU  10  -0.075  -2.410  -2.410
  802    H    ILE  11           H        ILE  11   5.682  -5.057  -5.057
  803    HA   ILE  11           HA       ILE  11   5.867  -7.356  -7.356
  804    HB   ILE  11           HB       ILE  11   8.126  -6.881  -6.881
  805   1HG1  ILE  11          2HG1      ILE  11   8.775  -5.163  -5.163
  806   2HG1  ILE  11          1HG1      ILE  11   7.761  -6.385  -6.385
  807   1HG2  ILE  11          3HG2      ILE  11   6.310  -4.692  -4.692
  808   2HG2  ILE  11          2HG2      ILE  11   7.833  -4.158  -4.158
  809   3HG2  ILE  11          1HG2      ILE  11   7.815  -4.859  -4.859
  810   1HD1  ILE  11          1HD1      ILE  11   9.691  -7.475  -7.475
  811   2HD1  ILE  11          3HD1      ILE  11  10.438  -6.699  -6.699
  812   3HD1  ILE  11          2HD1      ILE  11   9.298  -8.026  -8.026
  813    H    ASP  12           H        ASP  12   6.148  -6.929  -6.929
  814    HA   ASP  12           HA       ASP  12   7.338  -9.468  -9.468
  815   1HB   ASP  12          2HB       ASP  12   6.400  -7.171  -7.171
  816   2HB   ASP  12          1HB       ASP  12   5.322  -8.448  -8.448
  817    H    VAL  13           H        VAL  13   4.041  -8.301  -8.301
  818    HA   VAL  13           HA       VAL  13   2.629 -10.714 -10.714
  819    HB   VAL  13           HB       VAL  13   1.979  -8.524  -8.524
  820   1HG1  VAL  13          3HG1      VAL  13   0.313 -10.415 -10.415
  821   2HG1  VAL  13          2HG1      VAL  13  -0.358  -9.051  -9.051
  822   3HG1  VAL  13          1HG1      VAL  13   0.422 -10.366 -10.366
  823   1HG2  VAL  13          2HG2      VAL  13   2.636  -8.171  -8.171
  824   2HG2  VAL  13          1HG2      VAL  13   1.686  -7.055  -7.055
  825   3HG2  VAL  13          3HG2      VAL  13   0.874  -8.262  -8.262
  826    H    PHE  14           H        PHE  14   3.687  -9.330  -9.330
  827    HA   PHE  14           HA       PHE  14   2.887 -11.398 -11.398
  828   1HB   PHE  14          2HB       PHE  14   5.049  -9.343  -9.343
  829   2HB   PHE  14          1HB       PHE  14   5.378 -10.778 -10.778
  830    HD1  PHE  14           HD2      PHE  14   3.754 -11.559 -11.559
  831    HD2  PHE  14           HD1      PHE  14   3.278  -7.829  -7.829
  832    HE1  PHE  14           HE2      PHE  14   2.110 -10.837 -10.837
  833    HE2  PHE  14           HE1      PHE  14   1.658  -7.102  -7.102
  834    HZ   PHE  14           HZ       PHE  14   1.046  -8.607  -8.607
  835    H    HIS  15           H        HIS  15   6.020 -11.205 -11.205
  836    HA   HIS  15           HA       HIS  15   7.227 -13.595 -13.595
  837   1HB   HIS  15          2HB       HIS  15   8.241 -12.088 -12.088
  838   2HB   HIS  15          1HB       HIS  15   6.879 -12.232 -12.232
  839    HD1  HIS  15           HD1      HIS  15   9.161 -14.804 -14.804
  840    HD2  HIS  15           HD2      HIS  15   7.652 -13.844 -13.844
  841    HE1  HIS  15           HE1      HIS  15  10.054 -16.555 -16.555
  842    H    GLN  16           H        GLN  16   4.593 -13.136 -13.136
  843    HA   GLN  16           HA       GLN  16   4.294 -16.055 -16.055
  844   1HB   GLN  16          2HB       GLN  16   2.754 -13.621 -13.621
  845   2HB   GLN  16          1HB       GLN  16   2.470 -15.273 -15.273
  846   1HG   GLN  16          2HG       GLN  16   4.634 -15.421 -15.421
  847   2HG   GLN  16          1HG       GLN  16   5.183 -13.954 -13.954
  848   1HE2  GLN  16          2HE2      GLN  16   3.103 -11.843 -11.843
  849   2HE2  GLN  16          1HE2      GLN  16   3.407 -12.027 -12.027
  850    H    TYR  17           H        TYR  17   1.906 -13.519 -13.519
  851    HA   TYR  17           HA       TYR  17  -0.155 -14.937 -14.937
  852   1HB   TYR  17          2HB       TYR  17   1.146 -12.313 -12.313
  853   2HB   TYR  17          1HB       TYR  17  -0.048 -12.861 -12.861
  854    HD1  TYR  17           HD2      TYR  17   0.470 -12.455 -12.455
  855    HD2  TYR  17           HD1      TYR  17  -2.359 -12.576 -12.576
  856    HE1  TYR  17           HE2      TYR  17  -1.333 -11.787 -11.787
  857    HE2  TYR  17           HE1      TYR  17  -4.171 -11.920 -11.920
  858    HH   TYR  17           HH       TYR  17  -4.689 -11.863 -11.863
  859    H    SER  18           H        SER  18   2.476 -13.700 -13.700
  860    HA   SER  18           HA       SER  18   1.665 -15.400 -15.400
  861   1HB   SER  18          2HB       SER  18   3.198 -14.088 -14.088
  862   2HB   SER  18          1HB       SER  18   2.852 -13.042 -13.042
  863    HG   SER  18           HG       SER  18   4.878 -13.212 -13.212
  864    H    GLY  19           H        GLY  19   3.325 -16.177 -16.177
  865   1HA   GLY  19          2HA       GLY  19   4.623 -18.475 -18.475
  866   2HA   GLY  19          1HA       GLY  19   5.607 -17.484 -17.484
  867    H    ARG  20           H        ARG  20   2.216 -18.131 -18.131
  868    HA   ARG  20           HA       ARG  20   3.083 -19.865 -19.865
  869   1HB   ARG  20          2HB       ARG  20   1.274 -18.826 -18.826
  870   2HB   ARG  20          1HB       ARG  20   2.236 -17.542 -17.542
  871   1HG   ARG  20          2HG       ARG  20   0.620 -17.402 -17.402
  872   2HG   ARG  20          1HG       ARG  20  -0.347 -18.673 -18.673
  873   1HD   ARG  20          2HD       ARG  20   0.344 -16.109 -16.109
  874   2HD   ARG  20          1HD       ARG  20  -1.130 -16.288 -16.288
  875    HE   ARG  20           HE       ARG  20  -0.514 -17.783 -17.783
  876   1HH1  ARG  20          1HH2      ARG  20  -2.928 -16.284 -16.284
  877   2HH1  ARG  20          2HH2      ARG  20  -4.101 -17.549 -17.549
  878   1HH2  ARG  20          2HH1      ARG  20  -1.838 -19.852 -19.852
  879   2HH2  ARG  20          1HH1      ARG  20  -3.484 -19.569 -19.569
  880    H    GLU  21           H        GLU  21   2.370 -20.812 -20.812
  881    HA   GLU  21           HA       GLU  21   0.394 -22.814 -22.814
  882   1HB   GLU  21          2HB       GLU  21  -1.197 -21.085 -21.085
  883   2HB   GLU  21          1HB       GLU  21  -0.324 -20.437 -20.437
  884   1HG   GLU  21          2HG       GLU  21  -1.385 -21.825 -21.825
  885   2HG   GLU  21          1HG       GLU  21  -1.061 -23.227 -23.227
  886    H    GLY  22           H        GLY  22   0.511 -21.506 -21.506
  887   1HA   GLY  22          2HA       GLY  22   2.598 -23.434 -23.434
  888   2HA   GLY  22          1HA       GLY  22   0.990 -23.665 -23.665
  889    H    ASP  23           H        ASP  23   2.363 -20.505 -20.505
  890    HA   ASP  23           HA       ASP  23   2.575 -19.973 -19.973
  891   1HB   ASP  23          2HB       ASP  23   1.441 -18.295 -18.295
  892   2HB   ASP  23          1HB       ASP  23   1.705 -17.685 -17.685
  893    H    LYS  24           H        LYS  24   4.162 -18.296 -18.296
  894    HA   LYS  24           HA       LYS  24   6.472 -18.302 -18.302
  895   1HB   LYS  24          2HB       LYS  24   5.873 -17.709 -17.709
  896   2HB   LYS  24          1HB       LYS  24   7.262 -16.885 -16.885
  897   1HG   LYS  24          2HG       LYS  24   8.187 -18.890 -18.890
  898   2HG   LYS  24          1HG       LYS  24   7.927 -19.233 -19.233
  899   1HD   LYS  24          2HD       LYS  24   5.869 -20.411 -20.411
  900   2HD   LYS  24          1HD       LYS  24   5.935 -19.926 -19.926
  901   1HE   LYS  24          2HE       LYS  24   7.751 -21.364 -21.364
  902   2HE   LYS  24          1HE       LYS  24   8.187 -21.516 -21.516
  903   1HZ   LYS  24          2HZ       LYS  24   5.575 -22.392 -22.392
  904   2HZ   LYS  24          1HZ       LYS  24   6.900 -23.439 -23.439
  905   3HZ   LYS  24          3HZ       LYS  24   6.204 -22.709 -22.709
  906    H    HIS  25           H        HIS  25   5.469 -15.573 -15.573
  907    HA   HIS  25           HA       HIS  25   5.198 -13.913 -13.913
  908   1HB   HIS  25          2HB       HIS  25   6.895 -13.518 -13.518
  909   2HB   HIS  25          1HB       HIS  25   6.466 -12.165 -12.165
  910    HD1  HIS  25           HD1      HIS  25   9.328 -13.858 -13.858
  911    HD2  HIS  25           HD2      HIS  25   6.812 -13.698 -13.698
  912    HE1  HIS  25           HE1      HIS  25  10.741 -14.507 -14.507
  913    H    LYS  26           H        LYS  26   2.938 -14.757 -14.757
  914    HA   LYS  26           HA       LYS  26   1.766 -12.298 -12.298
  915   1HB   LYS  26          2HB       LYS  26   1.948 -14.971 -14.971
  916   2HB   LYS  26          1HB       LYS  26   0.653 -13.833 -13.833
  917   1HG   LYS  26          2HG       LYS  26   2.131 -12.943 -12.943
  918   2HG   LYS  26          1HG       LYS  26   2.858 -12.200 -12.200
  919   1HD   LYS  26          2HD       LYS  26   3.970 -14.713 -14.713
  920   2HD   LYS  26          1HD       LYS  26   3.857 -14.395 -14.395
  921   1HE   LYS  26          2HE       LYS  26   4.802 -11.989 -11.989
  922   2HE   LYS  26          1HE       LYS  26   5.575 -13.102 -13.102
  923   1HZ   LYS  26          3HZ       LYS  26   5.480 -13.894 -13.894
  924   2HZ   LYS  26          2HZ       LYS  26   6.585 -12.676 -12.676
  925   3HZ   LYS  26          1HZ       LYS  26   6.669 -14.202 -14.202
  926    H    LEU  27           H        LEU  27  -0.778 -12.855 -12.855
  927    HA   LEU  27           HA       LEU  27  -1.556 -14.814 -14.814
  928   1HB   LEU  27          2HB       LEU  27  -1.871 -11.828 -11.828
  929   2HB   LEU  27          1HB       LEU  27  -3.094 -12.811 -12.811
  930    HG   LEU  27           HG       LEU  27  -0.247 -13.467 -13.467
  931   1HD1  LEU  27          2HD1      LEU  27  -1.179 -10.801 -10.801
  932   2HD1  LEU  27          1HD1      LEU  27  -1.147 -11.459 -11.459
  933   3HD1  LEU  27          3HD1      LEU  27   0.316 -11.473 -11.473
  934   1HD2  LEU  27          1HD2      LEU  27  -2.267 -14.646 -14.646
  935   2HD2  LEU  27          3HD2      LEU  27  -1.161 -13.994 -13.994
  936   3HD2  LEU  27          2HD2      LEU  27  -2.663 -13.146 -13.146
  937    H    LYS  28           H        LYS  28  -4.152 -14.662 -14.662
  938    HA   LYS  28           HA       LYS  28  -5.195 -14.462 -14.462
  939   1HB   LYS  28          2HB       LYS  28  -4.638 -16.786 -16.786
  940   2HB   LYS  28          1HB       LYS  28  -6.096 -16.515 -16.515
  941   1HG   LYS  28          2HG       LYS  28  -7.491 -16.527 -16.527
  942   2HG   LYS  28          1HG       LYS  28  -6.167 -16.154 -16.154
  943   1HD   LYS  28          2HD       LYS  28  -6.148 -18.725 -18.725
  944   2HD   LYS  28          1HD       LYS  28  -7.089 -18.598 -18.598
  945   1HE   LYS  28          2HE       LYS  28  -5.217 -18.478 -18.478
  946   2HE   LYS  28          1HE       LYS  28  -4.278 -17.600 -17.600
  947   1HZ   LYS  28          3HZ       LYS  28  -4.644 -19.824 -19.824
  948   2HZ   LYS  28          2HZ       LYS  28  -4.779 -20.478 -20.478
  949   3HZ   LYS  28          1HZ       LYS  28  -3.361 -19.665 -19.665
  950    H    LYS  29           H        LYS  29  -7.537 -14.062 -14.062
  951    HA   LYS  29           HA       LYS  29  -8.562 -11.989 -11.989
  952   1HB   LYS  29          2HB       LYS  29  -9.930 -14.400 -14.400
  953   2HB   LYS  29          1HB       LYS  29 -10.807 -12.976 -12.976
  954   1HG   LYS  29          2HG       LYS  29  -9.914 -11.599 -11.599
  955   2HG   LYS  29          1HG       LYS  29  -8.493 -12.619 -12.619
  956   1HD   LYS  29          2HD       LYS  29  -9.809 -13.042 -13.042
  957   2HD   LYS  29          1HD       LYS  29 -10.151 -14.409 -14.409
  958   1HE   LYS  29          2HE       LYS  29 -12.017 -12.500 -12.500
  959   2HE   LYS  29          1HE       LYS  29 -11.971 -12.335 -12.335
  960   1HZ   LYS  29          1HZ       LYS  29 -12.060 -14.970 -14.970
  961   2HZ   LYS  29          3HZ       LYS  29 -13.468 -14.144 -14.144
  962   3HZ   LYS  29          2HZ       LYS  29 -12.341 -14.627 -14.627
  963    H    SER  30           H        SER  30  -8.301 -15.358 -15.358
  964    HA   SER  30           HA       SER  30 -10.124 -15.157 -15.157
  965   1HB   SER  30          2HB       SER  30  -8.603 -17.129 -17.129
  966   2HB   SER  30          1HB       SER  30  -8.319 -17.328 -17.328
  967    HG   SER  30           HG       SER  30 -10.664 -17.212 -17.212
  968    H    GLU  31           H        GLU  31  -6.555 -15.467 -15.467
  969    HA   GLU  31           HA       GLU  31  -6.023 -15.079 -15.079
  970   1HB   GLU  31          2HB       GLU  31  -4.221 -14.434 -14.434
  971   2HB   GLU  31          1HB       GLU  31  -3.736 -14.963 -14.963
  972   1HG   GLU  31          2HG       GLU  31  -5.399 -16.999 -16.999
  973   2HG   GLU  31          1HG       GLU  31  -4.736 -16.557 -16.557
  974    H    LEU  32           H        LEU  32  -6.487 -12.883 -12.883
  975    HA   LEU  32           HA       LEU  32  -5.396 -10.512 -10.512
  976   1HB   LEU  32          2HB       LEU  32  -6.128 -11.098 -11.098
  977   2HB   LEU  32          1HB       LEU  32  -7.737 -10.604 -10.604
  978    HG   LEU  32           HG       LEU  32  -6.940  -8.395  -8.395
  979   1HD1  LEU  32          2HD1      LEU  32  -4.314  -9.746  -9.746
  980   2HD1  LEU  32          1HD1      LEU  32  -4.354  -8.117  -8.117
  981   3HD1  LEU  32          3HD1      LEU  32  -4.816  -8.389  -8.389
  982   1HD2  LEU  32          1HD2      LEU  32  -6.594  -9.534  -9.534
  983   2HD2  LEU  32          3HD2      LEU  32  -7.296  -7.986  -7.986
  984   3HD2  LEU  32          2HD2      LEU  32  -5.552  -8.133  -8.133
  985    H    LYS  33           H        LYS  33  -8.867 -11.453 -11.453
  986    HA   LYS  33           HA       LYS  33 -10.002  -9.478  -9.478
  987   1HB   LYS  33          2HB       LYS  33 -10.903 -11.673 -11.673
  988   2HB   LYS  33          1HB       LYS  33 -10.963 -12.278 -12.278
  989   1HG   LYS  33          2HG       LYS  33 -12.326  -9.799  -9.799
  990   2HG   LYS  33          1HG       LYS  33 -13.102 -11.255 -11.255
  991   1HD   LYS  33          2HD       LYS  33 -12.452 -10.782 -10.782
  992   2HD   LYS  33          1HD       LYS  33 -11.262  -9.589  -9.589
  993   1HE   LYS  33          2HE       LYS  33 -13.103  -8.290  -8.290
  994   2HE   LYS  33          1HE       LYS  33 -13.287  -8.286  -8.286
  995   1HZ   LYS  33          2HZ       LYS  33 -14.475 -10.427 -10.427
  996   2HZ   LYS  33          1HZ       LYS  33 -15.304  -8.966  -8.966
  997   3HZ   LYS  33          3HZ       LYS  33 -14.894  -9.944  -9.944
  998    H    GLU  34           H        GLU  34  -8.794 -12.683 -12.683
  999    HA   GLU  34           HA       GLU  34  -9.147 -12.483 -12.483
 1000   1HB   GLU  34          2HB       GLU  34  -7.836 -14.137 -14.137
 1001   2HB   GLU  34          1HB       GLU  34  -6.449 -13.298 -13.298
 1002   1HG   GLU  34          2HG       GLU  34  -6.752 -15.090 -15.090
 1003   2HG   GLU  34          1HG       GLU  34  -7.642 -13.792 -13.792
 1004    H    LEU  35           H        LEU  35  -6.267 -11.414 -11.414
 1005    HA   LEU  35           HA       LEU  35  -4.751 -10.077 -10.077
 1006   1HB   LEU  35          2HB       LEU  35  -4.929 -10.271 -10.271
 1007   2HB   LEU  35          1HB       LEU  35  -5.440  -8.596  -8.596
 1008    HG   LEU  35           HG       LEU  35  -3.147  -9.178  -9.178
 1009   1HD1  LEU  35          3HD1      LEU  35  -3.098 -10.651 -10.651
 1010   2HD1  LEU  35          2HD1      LEU  35  -2.252  -9.177  -9.177
 1011   3HD1  LEU  35          1HD1      LEU  35  -1.673 -10.136 -10.136
 1012   1HD2  LEU  35          3HD2      LEU  35  -4.069  -6.954  -6.954
 1013   2HD2  LEU  35          2HD2      LEU  35  -2.334  -7.160  -7.160
 1014   3HD2  LEU  35          1HD2      LEU  35  -3.449  -7.339  -7.339
 1015    H    ILE  36           H        ILE  36  -7.684  -8.747  -8.747
 1016    HA   ILE  36           HA       ILE  36  -7.495  -6.295  -6.295
 1017    HB   ILE  36           HB       ILE  36  -9.230  -7.482  -7.482
 1018   1HG1  ILE  36          2HG1      ILE  36  -8.651  -5.303  -5.303
 1019   2HG1  ILE  36          1HG1      ILE  36  -7.715  -4.880  -4.880
 1020   1HG2  ILE  36          1HG2      ILE  36 -10.144  -5.612  -5.612
 1021   2HG2  ILE  36          3HG2      ILE  36 -10.309  -4.971  -4.971
 1022   3HG2  ILE  36          2HG2      ILE  36 -11.069  -6.503  -6.503
 1023   1HD1  ILE  36          2HD1      ILE  36  -7.194  -7.492  -7.492
 1024   2HD1  ILE  36          1HD1      ILE  36  -6.511  -6.008  -6.008
 1025   3HD1  ILE  36          3HD1      ILE  36  -6.101  -6.512  -6.512
 1026    H    ASN  37           H        ASN  37  -9.939  -8.922  -8.922
 1027    HA   ASN  37           HA       ASN  37 -11.631  -8.200  -8.200
 1028   1HB   ASN  37          2HB       ASN  37 -12.195  -9.853  -9.853
 1029   2HB   ASN  37          1HB       ASN  37 -10.784 -10.828 -10.828
 1030   1HD2  ASN  37          2HD2      ASN  37 -13.326 -10.639 -10.639
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.620  -9.238  -9.238
 1032    H    ASN  38           H        ASN  38  -8.453  -9.703  -9.703
 1033    HA   ASN  38           HA       ASN  38  -8.746 -10.772 -10.772
 1034   1HB   ASN  38          2HB       ASN  38  -6.964 -10.956 -10.956
 1035   2HB   ASN  38          1HB       ASN  38  -6.050 -10.036 -10.036
 1036   1HD2  ASN  38          1HD2      ASN  38  -6.148 -13.072 -13.072
 1037   2HD2  ASN  38          2HD2      ASN  38  -6.093 -13.907 -13.907
 1038    H    GLU  39           H        GLU  39  -7.509  -7.714  -7.714
 1039    HA   GLU  39           HA       GLU  39  -7.050  -6.711  -6.711
 1040   1HB   GLU  39          2HB       GLU  39  -5.965  -6.144  -6.144
 1041   2HB   GLU  39          1HB       GLU  39  -5.845  -4.913  -4.913
 1042   1HG   GLU  39          2HG       GLU  39  -3.836  -6.268  -6.268
 1043   2HG   GLU  39          1HG       GLU  39  -4.793  -6.623  -6.623
 1044    H    LEU  40           H        LEU  40  -8.731  -6.015  -6.015
 1045    HA   LEU  40           HA       LEU  40  -9.760  -3.426  -3.426
 1046   1HB   LEU  40          2HB       LEU  40 -10.467  -5.370  -5.370
 1047   2HB   LEU  40          1HB       LEU  40 -11.183  -3.768  -3.768
 1048    HG   LEU  40           HG       LEU  40  -8.317  -4.494  -4.494
 1049   1HD1  LEU  40          1HD1      LEU  40 -10.614  -3.529  -3.529
 1050   2HD1  LEU  40          3HD1      LEU  40  -9.346  -2.298  -2.298
 1051   3HD1  LEU  40          2HD1      LEU  40  -9.009  -3.926  -3.926
 1052   1HD2  LEU  40          3HD2      LEU  40  -9.436  -1.951  -1.951
 1053   2HD2  LEU  40          2HD2      LEU  40  -7.988  -2.841  -2.841
 1054   3HD2  LEU  40          1HD2      LEU  40  -7.998  -1.910  -1.910
 1055    H    SER  41           H        SER  41 -10.372  -5.351  -5.351
 1056    HA   SER  41           HA       SER  41 -12.755  -6.742  -6.742
 1057   1HB   SER  41          2HB       SER  41 -11.553  -4.984  -4.984
 1058   2HB   SER  41          1HB       SER  41 -12.968  -5.990  -5.990
 1059    HG   SER  41           HG       SER  41 -11.669  -7.772  -7.772
 1060    H    HIS  42           H        HIS  42 -12.325  -3.269  -3.269
 1061    HA   HIS  42           HA       HIS  42 -14.989  -2.441  -2.441
 1062   1HB   HIS  42          2HB       HIS  42 -12.588  -1.403  -1.403
 1063   2HB   HIS  42          1HB       HIS  42 -14.109  -0.617  -0.617
 1064    HD1  HIS  42           HD1      HIS  42 -12.009  -1.467  -1.467
 1065    HD2  HIS  42           HD2      HIS  42 -15.054   1.150   1.150
 1066    HE1  HIS  42           HE1      HIS  42 -12.337   0.121   0.121
 1067    H    PHE  43           H        PHE  43 -13.719  -2.010  -2.010
 1068    HA   PHE  43           HA       PHE  43 -16.169  -2.210  -2.210
 1069   1HB   PHE  43          2HB       PHE  43 -14.666  -1.545  -1.545
 1070   2HB   PHE  43          1HB       PHE  43 -13.333  -2.074  -2.074
 1071    HD1  PHE  43           HD2      PHE  43 -13.066  -4.777  -4.777
 1072    HD2  PHE  43           HD1      PHE  43 -14.885  -2.535  -2.535
 1073    HE1  PHE  43           HE2      PHE  43 -12.618  -6.639  -6.639
 1074    HE2  PHE  43           HE1      PHE  43 -14.434  -4.402  -4.402
 1075    HZ   PHE  43           HZ       PHE  43 -13.305  -6.457  -6.457
 1076    H    LEU  44           H        LEU  44 -14.262  -4.716  -4.716
 1077    HA   LEU  44           HA       LEU  44 -14.817  -6.971  -6.971
 1078   1HB   LEU  44          2HB       LEU  44 -13.723  -7.784  -7.784
 1079   2HB   LEU  44          1HB       LEU  44 -13.895  -6.209  -6.209
 1080    HG   LEU  44           HG       LEU  44 -16.177  -6.930  -6.930
 1081   1HD1  LEU  44          3HD1      LEU  44 -15.731  -8.963  -8.963
 1082   2HD1  LEU  44          2HD1      LEU  44 -15.594  -9.768  -9.768
 1083   3HD1  LEU  44          1HD1      LEU  44 -17.063  -8.881  -8.881
 1084   1HD2  LEU  44          1HD2      LEU  44 -13.710  -8.482  -8.482
 1085   2HD2  LEU  44          3HD2      LEU  44 -14.398  -7.062  -7.062
 1086   3HD2  LEU  44          2HD2      LEU  44 -15.234  -8.613  -8.613
 1087    H    GLU  45           H        GLU  45 -16.844  -5.038  -5.038
 1088    HA   GLU  45           HA       GLU  45 -19.149  -6.815  -6.815
 1089   1HB   GLU  45          2HB       GLU  45 -18.287  -4.195  -4.195
 1090   2HB   GLU  45          1HB       GLU  45 -19.921  -4.098  -4.098
 1091   1HG   GLU  45          2HG       GLU  45 -19.242  -6.348  -6.348
 1092   2HG   GLU  45          1HG       GLU  45 -19.561  -4.749  -4.749
 1093    H    GLU  46           H        GLU  46 -17.870  -4.403  -4.403
 1094    HA   GLU  46           HA       GLU  46 -18.390  -3.788  -3.788
 1095   1HB   GLU  46          2HB       GLU  46 -18.599  -6.410  -6.410
 1096   2HB   GLU  46          1HB       GLU  46 -20.322  -6.088  -6.088
 1097   1HG   GLU  46          2HG       GLU  46 -19.975  -5.896  -5.896
 1098   2HG   GLU  46          1HG       GLU  46 -18.985  -4.473  -4.473
 1099    H    ILE  47           H        ILE  47 -21.456  -5.190  -5.190
 1100    HA   ILE  47           HA       ILE  47 -23.330  -3.552  -3.552
 1101    HB   ILE  47           HB       ILE  47 -23.465  -5.477  -5.477
 1102   1HG1  ILE  47          2HG1      ILE  47 -25.453  -4.525  -4.525
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.752  -4.732  -4.732
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.335  -3.674  -3.674
 1105   2HG2  ILE  47          1HG2      ILE  47 -24.033  -3.352  -3.352
 1106   3HG2  ILE  47          3HG2      ILE  47 -23.377  -4.973  -4.973
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.838  -2.259  -2.259
 1108   2HD1  ILE  47          3HD1      ILE  47 -25.312  -2.209  -2.209
 1109   3HD1  ILE  47          2HD1      ILE  47 -26.514  -2.561  -2.561
 1110    H    LYS  48           H        LYS  48 -21.085  -2.648  -2.648
 1111    HA   LYS  48           HA       LYS  48 -22.318  -0.248  -0.248
 1112   1HB   LYS  48          2HB       LYS  48 -19.855  -1.685  -1.685
 1113   2HB   LYS  48          1HB       LYS  48 -19.460  -0.003  -0.003
 1114   1HG   LYS  48          2HG       LYS  48 -19.690   0.174   0.174
 1115   2HG   LYS  48          1HG       LYS  48 -21.379   0.409   0.409
 1116   1HD   LYS  48          2HD       LYS  48 -21.754  -1.309  -1.309
 1117   2HD   LYS  48          1HD       LYS  48 -21.249  -2.314  -2.314
 1118   1HE   LYS  48          2HE       LYS  48 -19.985  -2.936  -2.936
 1119   2HE   LYS  48          1HE       LYS  48 -18.889  -2.199  -2.199
 1120   1HZ   LYS  48          1HZ       LYS  48 -20.322  -0.469  -0.469
 1121   2HZ   LYS  48          3HZ       LYS  48 -18.954  -1.310  -1.310
 1122   3HZ   LYS  48          2HZ       LYS  48 -18.821  -0.225  -0.225
 1123    H    GLU  49           H        GLU  49 -20.944  -1.072  -1.072
 1124    HA   GLU  49           HA       GLU  49 -21.273   1.722   1.722
 1125   1HB   GLU  49          2HB       GLU  49 -18.960   1.431   1.431
 1126   2HB   GLU  49          1HB       GLU  49 -18.978   1.710   1.710
 1127   1HG   GLU  49          2HG       GLU  49 -18.919  -0.801  -0.801
 1128   2HG   GLU  49          1HG       GLU  49 -18.650  -0.942  -0.942
 1129    H    GLN  50           H        GLN  50 -23.079   0.710   0.710
 1130    HA   GLN  50           HA       GLN  50 -22.904  -1.547  -1.547
 1131   1HB   GLN  50          2HB       GLN  50 -24.623   0.778   0.778
 1132   2HB   GLN  50          1HB       GLN  50 -24.662   0.232   0.232
 1133   1HG   GLN  50          2HG       GLN  50 -24.944  -2.144  -2.144
 1134   2HG   GLN  50          1HG       GLN  50 -25.354  -1.319  -1.319
 1135   1HE2  GLN  50          2HE2      GLN  50 -28.369   0.148   0.148
 1136   2HE2  GLN  50          1HE2      GLN  50 -27.078   0.562   0.562
 1137    H    GLU  51           H        GLU  51 -22.684   1.899   1.899
 1138    HA   GLU  51           HA       GLU  51 -21.982   1.564   1.564
 1139   1HB   GLU  51          2HB       GLU  51 -22.395   3.707   3.707
 1140   2HB   GLU  51          1HB       GLU  51 -20.846   3.543   3.543
 1141   1HG   GLU  51          2HG       GLU  51 -19.855   3.302   3.302
 1142   2HG   GLU  51          1HG       GLU  51 -21.371   4.043   4.043
 1143    H    VAL  52           H        VAL  52 -19.894   1.195   1.195
 1144    HA   VAL  52           HA       VAL  52 -17.443   0.894   0.894
 1145    HB   VAL  52           HB       VAL  52 -18.188   0.170   0.170
 1146   1HG1  VAL  52          3HG1      VAL  52 -15.484   0.465   0.465
 1147   2HG1  VAL  52          2HG1      VAL  52 -15.730   0.230   0.230
 1148   3HG1  VAL  52          1HG1      VAL  52 -16.188  -1.039  -1.039
 1149   1HG2  VAL  52          1HG2      VAL  52 -18.403   2.599   2.599
 1150   2HG2  VAL  52          3HG2      VAL  52 -17.241   2.309   2.309
 1151   3HG2  VAL  52          2HG2      VAL  52 -16.675   2.578   2.578
 1152    H    VAL  53           H        VAL  53 -19.954  -1.208  -1.208
 1153    HA   VAL  53           HA       VAL  53 -18.605  -3.723  -3.723
 1154    HB   VAL  53           HB       VAL  53 -21.560  -2.994  -2.994
 1155   1HG1  VAL  53          2HG1      VAL  53 -20.057  -5.582  -5.582
 1156   2HG1  VAL  53          1HG1      VAL  53 -21.747  -5.382  -5.382
 1157   3HG1  VAL  53          3HG1      VAL  53 -21.274  -5.232  -5.232
 1158   1HG2  VAL  53          3HG2      VAL  53 -19.639  -2.933  -2.933
 1159   2HG2  VAL  53          2HG2      VAL  53 -21.333  -2.442  -2.442
 1160   3HG2  VAL  53          1HG2      VAL  53 -20.901  -4.122  -4.122
 1161    H    ASP  54           H        ASP  54 -20.341  -1.438  -1.438
 1162    HA   ASP  54           HA       ASP  54 -20.699  -3.098  -3.098
 1163   1HB   ASP  54          2HB       ASP  54 -22.082  -1.214  -1.214
 1164   2HB   ASP  54          1HB       ASP  54 -20.781  -0.186  -0.186
 1165    H    LYS  55           H        LYS  55 -18.248  -0.739  -0.739
 1166    HA   LYS  55           HA       LYS  55 -16.598  -1.070  -1.070
 1167   1HB   LYS  55          2HB       LYS  55 -16.424   0.304   0.304
 1168   2HB   LYS  55          1HB       LYS  55 -15.002   0.220   0.220
 1169   1HG   LYS  55          2HG       LYS  55 -15.954   2.198   2.198
 1170   2HG   LYS  55          1HG       LYS  55 -16.703   1.041   1.041
 1171   1HD   LYS  55          2HD       LYS  55 -18.643   0.887   0.887
 1172   2HD   LYS  55          1HD       LYS  55 -17.918   2.200   2.200
 1173   1HE   LYS  55          2HE       LYS  55 -18.409   2.511   2.511
 1174   2HE   LYS  55          1HE       LYS  55 -19.689   2.853   2.853
 1175   1HZ   LYS  55          2HZ       LYS  55 -18.095   4.267   4.267
 1176   2HZ   LYS  55          1HZ       LYS  55 -16.956   4.023   4.023
 1177   3HZ   LYS  55          3HZ       LYS  55 -18.405   4.843   4.843
 1178    H    VAL  56           H        VAL  56 -16.000  -1.783  -1.783
 1179    HA   VAL  56           HA       VAL  56 -13.707  -3.268  -3.268
 1180    HB   VAL  56           HB       VAL  56 -16.350  -3.616  -3.616
 1181   1HG1  VAL  56          3HG1      VAL  56 -15.126  -5.847  -5.847
 1182   2HG1  VAL  56          2HG1      VAL  56 -13.826  -5.119  -5.119
 1183   3HG1  VAL  56          1HG1      VAL  56 -15.434  -5.295  -5.295
 1184   1HG2  VAL  56          3HG2      VAL  56 -14.798  -1.658  -1.658
 1185   2HG2  VAL  56          2HG2      VAL  56 -15.161  -2.639  -2.639
 1186   3HG2  VAL  56          1HG2      VAL  56 -13.613  -2.820  -2.820
 1187    H    MET  57           H        MET  57 -16.941  -4.547  -4.547
 1188    HA   MET  57           HA       MET  57 -15.992  -7.207  -7.207
 1189   1HB   MET  57          2HB       MET  57 -18.482  -5.583  -5.583
 1190   2HB   MET  57          1HB       MET  57 -18.314  -7.256  -7.256
 1191   1HG   MET  57          2HG       MET  57 -17.589  -7.625  -7.625
 1192   2HG   MET  57          1HG       MET  57 -18.554  -6.170  -6.170
 1193   1HE   MET  57          2HE       MET  57 -18.188  -9.639  -9.639
 1194   2HE   MET  57          1HE       MET  57 -19.272  -9.499  -9.499
 1195   3HE   MET  57          3HE       MET  57 -19.785 -10.380 -10.380
 1196    H    GLU  58           H        GLU  58 -16.768  -4.325  -4.325
 1197    HA   GLU  58           HA       GLU  58 -16.299  -5.530  -5.530
 1198   1HB   GLU  58          2HB       GLU  58 -17.495  -3.521  -3.521
 1199   2HB   GLU  58          1HB       GLU  58 -16.338  -2.755  -2.755
 1200   1HG   GLU  58          2HG       GLU  58 -16.037  -1.817  -1.817
 1201   2HG   GLU  58          1HG       GLU  58 -14.642  -2.831  -2.831
 1202    H    THR  59           H        THR  59 -14.176  -3.368  -3.368
 1203    HA   THR  59           HA       THR  59 -11.870  -3.466  -3.466
 1204    HB   THR  59           HB       THR  59 -12.273  -3.392  -3.392
 1205    HG1  THR  59           HG1      THR  59 -12.719  -1.399  -1.399
 1206   1HG2  THR  59          2HG2      THR  59  -9.919  -4.096  -4.096
 1207   2HG2  THR  59          1HG2      THR  59  -9.795  -2.388  -2.388
 1208   3HG2  THR  59          3HG2      THR  59 -10.027  -2.867  -2.867
 1209    H    LEU  60           H        LEU  60 -12.618  -5.629  -5.629
 1210    HA   LEU  60           HA       LEU  60 -10.418  -7.353  -7.353
 1211   1HB   LEU  60          2HB       LEU  60 -12.940  -7.198  -7.198
 1212   2HB   LEU  60          1HB       LEU  60 -12.891  -8.786  -8.786
 1213    HG   LEU  60           HG       LEU  60 -10.747  -7.661  -7.661
 1214   1HD1  LEU  60          3HD1      LEU  60 -12.991  -9.644  -9.644
 1215   2HD1  LEU  60          2HD1      LEU  60 -11.572  -9.598  -9.598
 1216   3HD1  LEU  60          1HD1      LEU  60 -12.634  -8.193  -8.193
 1217   1HD2  LEU  60          2HD2      LEU  60 -10.907  -9.972  -9.972
 1218   2HD2  LEU  60          1HD2      LEU  60  -9.490  -9.199  -9.199
 1219   3HD2  LEU  60          3HD2      LEU  60 -10.406 -10.388 -10.388
 1220    H    ASP  61           H        ASP  61 -13.475  -7.551  -7.551
 1221    HA   ASP  61           HA       ASP  61 -12.986  -9.986  -9.986
 1222   1HB   ASP  61          2HB       ASP  61 -14.971  -8.167  -8.167
 1223   2HB   ASP  61          1HB       ASP  61 -14.292  -7.720  -7.720
 1224    H    SER  62           H        SER  62 -12.007  -6.656  -6.656
 1225    HA   SER  62           HA       SER  62 -10.604  -7.605  -7.605
 1226   1HB   SER  62          2HB       SER  62 -10.037  -4.977  -4.977
 1227   2HB   SER  62          1HB       SER  62 -11.578  -5.562  -5.562
 1228    HG   SER  62           HG       SER  62 -12.343  -4.403  -4.403
 1229    H    ASP  63           H        ASP  63  -9.883  -6.561  -6.561
 1230    HA   ASP  63           HA       ASP  63  -7.264  -5.787  -5.787
 1231   1HB   ASP  63          2HB       ASP  63  -8.810  -6.344  -6.344
 1232   2HB   ASP  63          1HB       ASP  63  -8.436  -8.051  -8.051
 1233    H    GLY  64           H        GLY  64  -6.037  -6.639  -6.639
 1234   1HA   GLY  64          2HA       GLY  64  -4.868  -8.304  -8.304
 1235   2HA   GLY  64          1HA       GLY  64  -4.254  -8.680  -8.680
 1236    H    ASP  65           H        ASP  65  -7.579  -9.023  -9.023
 1237    HA   ASP  65           HA       ASP  65  -8.440 -11.292 -11.292
 1238   1HB   ASP  65          2HB       ASP  65  -9.738 -10.101 -10.101
 1239   2HB   ASP  65          1HB       ASP  65  -8.598 -10.501 -10.501
 1240    H    GLY  66           H        GLY  66  -6.958 -12.941 -12.941
 1241   1HA   GLY  66          2HA       GLY  66  -6.406 -15.221 -15.221
 1242   2HA   GLY  66          1HA       GLY  66  -5.846 -14.438 -14.438
 1243    H    GLU  67           H        GLU  67  -4.636 -12.223 -12.223
 1244    HA   GLU  67           HA       GLU  67  -2.440 -13.687 -13.687
 1245   1HB   GLU  67          2HB       GLU  67  -1.825 -13.617 -13.617
 1246   2HB   GLU  67          1HB       GLU  67  -2.114 -11.877 -11.877
 1247   1HG   GLU  67          2HG       GLU  67  -0.184 -11.385 -11.385
 1248   2HG   GLU  67          1HG       GLU  67  -0.215 -12.903 -12.903
 1249    H    CYS  68           H        CYS  68  -2.974 -12.579 -12.579
 1250    HA   CYS  68           HA       CYS  68  -3.112  -9.621  -9.621
 1251   1HB   CYS  68          2HB       CYS  68  -3.232 -11.672 -11.672
 1252   2HB   CYS  68          1HB       CYS  68  -3.715  -9.981  -9.981
 1253    HG   CYS  68           HG       CYS  68  -5.607 -10.552 -10.552
 1254    H    ASP  69           H        ASP  69  -0.898  -9.102  -9.102
 1255    HA   ASP  69           HA       ASP  69   1.285 -10.152 -10.152
 1256   1HB   ASP  69          2HB       ASP  69   1.151  -8.245  -8.245
 1257   2HB   ASP  69          1HB       ASP  69   2.646  -8.763  -8.763
 1258    H    PHE  70           H        PHE  70   2.974  -8.412  -8.412
 1259    HA   PHE  70           HA       PHE  70   2.457  -7.004  -7.004
 1260   1HB   PHE  70          2HB       PHE  70   4.190  -6.194  -6.194
 1261   2HB   PHE  70          1HB       PHE  70   4.372  -5.594  -5.594
 1262    HD1  PHE  70           HD2      PHE  70   4.794  -7.247  -7.247
 1263    HD2  PHE  70           HD1      PHE  70   5.026  -8.329  -8.329
 1264    HE1  PHE  70           HE2      PHE  70   6.109  -9.261  -9.261
 1265    HE2  PHE  70           HE1      PHE  70   6.302 -10.365 -10.365
 1266    HZ   PHE  70           HZ       PHE  70   6.829 -10.842 -10.842
 1267    H    GLN  71           H        GLN  71   2.884  -4.954  -4.954
 1268    HA   GLN  71           HA       GLN  71   1.515  -2.728  -2.728
 1269   1HB   GLN  71          2HB       GLN  71   1.256  -2.116  -2.116
 1270   2HB   GLN  71          1HB       GLN  71   2.813  -2.906  -2.906
 1271   1HG   GLN  71          2HG       GLN  71   2.251  -4.427  -4.427
 1272   2HG   GLN  71          1HG       GLN  71   0.928  -4.962  -4.962
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.821  -3.937  -3.937
 1274   2HE2  GLN  71          1HE2      GLN  71   0.088  -5.246  -5.246
 1275    H    GLU  72           H        GLU  72   0.145  -5.744  -5.744
 1276    HA   GLU  72           HA       GLU  72  -2.600  -4.706  -4.706
 1277   1HB   GLU  72          2HB       GLU  72  -1.908  -7.608  -7.608
 1278   2HB   GLU  72          1HB       GLU  72  -3.085  -6.871  -6.871
 1279   1HG   GLU  72          2HG       GLU  72  -0.755  -5.792  -5.792
 1280   2HG   GLU  72          1HG       GLU  72  -0.207  -7.381  -7.381
 1281    H    PHE  73           H        PHE  73  -0.776  -6.817  -6.817
 1282    HA   PHE  73           HA       PHE  73  -2.715  -7.275  -7.275
 1283   1HB   PHE  73          2HB       PHE  73  -0.551  -8.323  -8.323
 1284   2HB   PHE  73          1HB       PHE  73   0.262  -6.772  -6.772
 1285    HD1  PHE  73           HD2      PHE  73  -0.758  -5.313  -5.313
 1286    HD2  PHE  73           HD1      PHE  73  -0.083  -9.538  -9.538
 1287    HE1  PHE  73           HE2      PHE  73  -0.462  -5.499  -5.499
 1288    HE2  PHE  73           HE1      PHE  73   0.235  -9.707  -9.707
 1289    HZ   PHE  73           HZ       PHE  73   0.048  -7.693  -7.693
 1290    H    MET  74           H        MET  74  -0.461  -4.545  -4.545
 1291    HA   MET  74           HA       MET  74  -1.574  -3.015  -3.015
 1292   1HB   MET  74          2HB       MET  74   0.645  -2.965  -2.965
 1293   2HB   MET  74          1HB       MET  74  -0.057  -1.360  -1.360
 1294   1HG   MET  74          2HG       MET  74   0.054  -1.790  -1.790
 1295   2HG   MET  74          1HG       MET  74   1.058  -3.189  -3.189
 1296   1HE   MET  74          1HE       MET  74   3.083  -3.252  -3.252
 1297   2HE   MET  74          3HE       MET  74   3.636  -2.789  -2.789
 1298   3HE   MET  74          2HE       MET  74   4.351  -2.042  -2.042
 1299    H    ALA  75           H        ALA  75  -2.252  -3.376  -3.376
 1300    HA   ALA  75           HA       ALA  75  -3.446  -0.803  -0.803
 1301   1HB   ALA  75          3HB       ALA  75  -3.657  -3.587  -3.587
 1302   2HB   ALA  75          2HB       ALA  75  -4.606  -2.260  -2.260
 1303   3HB   ALA  75          1HB       ALA  75  -2.844  -2.185  -2.185
 1304    H    PHE  76           H        PHE  76  -5.028  -3.961  -3.961
 1305    HA   PHE  76           HA       PHE  76  -7.639  -2.886  -2.886
 1306   1HB   PHE  76          2HB       PHE  76  -6.994  -5.202  -5.202
 1307   2HB   PHE  76          1HB       PHE  76  -6.417  -5.501  -5.501
 1308    HD1  PHE  76           HD2      PHE  76  -9.440  -4.469  -4.469
 1309    HD2  PHE  76           HD1      PHE  76  -7.899  -6.174  -6.174
 1310    HE1  PHE  76           HE2      PHE  76 -11.748  -5.066  -5.066
 1311    HE2  PHE  76           HE1      PHE  76 -10.203  -6.772  -6.772
 1312    HZ   PHE  76           HZ       PHE  76 -12.128  -6.217  -6.217
 1313    H    VAL  77           H        VAL  77  -5.197  -4.164  -4.164
 1314    HA   VAL  77           HA       VAL  77  -6.585  -3.767  -3.767
 1315    HB   VAL  77           HB       VAL  77  -4.129  -4.540  -4.540
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.755  -1.612  -1.612
 1317   2HG1  VAL  77          1HG1      VAL  77  -2.457  -2.806  -2.806
 1318   3HG1  VAL  77          3HG1      VAL  77  -3.315  -2.395  -2.395
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.317  -4.568  -4.568
 1320   2HG2  VAL  77          1HG2      VAL  77  -3.562  -4.413  -4.413
 1321   3HG2  VAL  77          3HG2      VAL  77  -4.583  -2.995  -2.995
 1322    H    ALA  78           H        ALA  78  -4.943  -1.389  -1.389
 1323    HA   ALA  78           HA       ALA  78  -5.594   0.880   0.880
 1324   1HB   ALA  78          2HB       ALA  78  -3.640   0.484   0.484
 1325   2HB   ALA  78          1HB       ALA  78  -4.820   1.021   1.021
 1326   3HB   ALA  78          3HB       ALA  78  -4.352   2.093   2.093
 1327    H    MET  79           H        MET  79  -6.980  -0.766  -0.766
 1328    HA   MET  79           HA       MET  79  -8.832   1.289   1.289
 1329   1HB   MET  79          2HB       MET  79  -7.997  -1.041  -1.041
 1330   2HB   MET  79          1HB       MET  79  -9.462  -1.629  -1.629
 1331   1HG   MET  79          2HG       MET  79  -9.227   0.509   0.509
 1332   2HG   MET  79          1HG       MET  79 -10.109  -1.013  -1.013
 1333   1HE   MET  79          1HE       MET  79 -11.222  -1.323  -1.323
 1334   2HE   MET  79          3HE       MET  79 -12.762  -0.466  -0.466
 1335   3HE   MET  79          2HE       MET  79 -12.444  -1.480  -1.480
 1336    H    ILE  80           H        ILE  80  -9.060  -1.428  -1.428
 1337    HA   ILE  80           HA       ILE  80 -11.855  -0.975  -0.975
 1338    HB   ILE  80           HB       ILE  80  -9.784  -2.219  -2.219
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.278  -3.184  -3.184
 1340   2HG1  ILE  80          1HG1      ILE  80 -10.263  -4.352  -4.352
 1341   1HG2  ILE  80          2HG2      ILE  80 -12.731  -2.559  -2.559
 1342   2HG2  ILE  80          1HG2      ILE  80 -11.797  -3.821  -3.821
 1343   3HG2  ILE  80          3HG2      ILE  80 -11.917  -2.217  -2.217
 1344   1HD1  ILE  80          1HD1      ILE  80 -11.826  -2.441  -2.441
 1345   2HD1  ILE  80          3HD1      ILE  80 -10.767  -3.475  -3.475
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.972  -4.189  -4.189
 1347    H    THR  81           H        THR  81  -8.920  -0.468  -0.468
 1348    HA   THR  81           HA       THR  81 -10.076   1.042   1.042
 1349    HB   THR  81           HB       THR  81  -7.361   1.288   1.288
 1350    HG1  THR  81           HG1      THR  81  -8.255  -0.141  -0.141
 1351   1HG2  THR  81          2HG2      THR  81  -8.599   2.848   2.848
 1352   2HG2  THR  81          1HG2      THR  81  -7.313   1.875   1.875
 1353   3HG2  THR  81          3HG2      THR  81  -6.952   2.962   2.962
 1354    H    THR  82           H        THR  82  -9.553   2.027   2.027
 1355    HA   THR  82           HA       THR  82  -9.701   4.891   4.891
 1356    HB   THR  82           HB       THR  82 -10.061   4.859   4.859
 1357    HG1  THR  82           HG1      THR  82 -10.480   2.740   2.740
 1358   1HG2  THR  82          3HG2      THR  82  -7.984   5.529   5.529
 1359   2HG2  THR  82          2HG2      THR  82  -7.462   3.848   3.848
 1360   3HG2  THR  82          1HG2      THR  82  -7.651   4.771   4.771
 1361    H    ALA  83           H        ALA  83 -11.867   2.764   2.764
 1362    HA   ALA  83           HA       ALA  83 -14.212   3.865   3.865
 1363   1HB   ALA  83          1HB       ALA  83 -13.667   1.610   1.610
 1364   2HB   ALA  83          3HB       ALA  83 -15.311   2.052   2.052
 1365   3HB   ALA  83          2HB       ALA  83 -14.169   1.502   1.502
 1366    H    CYS  84           H        CYS  84 -12.648   3.959   3.959
 1367    HA   CYS  84           HA       CYS  84 -14.543   4.743   4.743
 1368   1HB   CYS  84          2HB       CYS  84 -12.137   4.528   4.528
 1369   2HB   CYS  84          1HB       CYS  84 -11.825   5.978   5.978
 1370    HG   CYS  84           HG       CYS  84 -13.543   6.133   6.133
 1371    H    HIS  85           H        HIS  85 -12.762   7.612   7.612
 1372    HA   HIS  85           HA       HIS  85 -14.778   8.975   8.975
 1373   1HB   HIS  85          2HB       HIS  85 -16.044   8.752   8.752
 1374   2HB   HIS  85          1HB       HIS  85 -14.675   9.317   9.317
 1375    HD1  HIS  85           HD1      HIS  85 -15.510  11.014  11.014
 1376    HD2  HIS  85           HD2      HIS  85 -16.109  11.649  11.649
 1377    HE1  HIS  85           HE1      HIS  85 -16.329  13.399  13.399
 1378    H    GLU  86           H        GLU  86 -13.251  10.559  10.559
 1379    HA   GLU  86           HA       GLU  86 -11.958  12.609  12.609
 1380   1HB   GLU  86          2HB       GLU  86 -11.286  11.019  11.019
 1381   2HB   GLU  86          1HB       GLU  86 -10.285  12.385  12.385
 1382   1HG   GLU  86          2HG       GLU  86 -13.167  12.962  12.962
 1383   2HG   GLU  86          1HG       GLU  86 -12.552  12.575  12.575
 1384    H    PHE  87           H        PHE  87  -9.532  12.806  12.806
 1385    HA   PHE  87           HA       PHE  87  -7.891  12.075  12.075
 1386   1HB   PHE  87          2HB       PHE  87  -6.285  10.914  10.914
 1387   2HB   PHE  87          1HB       PHE  87  -7.325  11.587  11.587
 1388    HD1  PHE  87           HD2      PHE  87  -9.203  10.136  10.136
 1389    HD2  PHE  87           HD1      PHE  87  -5.968   8.562   8.562
 1390    HE1  PHE  87           HE2      PHE  87  -9.771   7.852   7.852
 1391    HE2  PHE  87           HE1      PHE  87  -6.604   6.262   6.262
 1392    HZ   PHE  87           HZ       PHE  87  -8.471   5.914   5.914
 1393    H    PHE  88           H        PHE  88  -6.883   9.410   9.410
 1394    HA   PHE  88           HA       PHE  88  -7.311   7.792   7.792
 1395   1HB   PHE  88          2HB       PHE  88  -8.495   7.420   7.420
 1396   2HB   PHE  88          1HB       PHE  88  -9.222   6.395   6.395
 1397    HD1  PHE  88           HD1      PHE  88  -5.734   7.694   7.694
 1398    HD2  PHE  88           HD2      PHE  88  -8.242   4.230   4.230
 1399    HE1  PHE  88           HE1      PHE  88  -3.725   6.255   6.255
 1400    HE2  PHE  88           HE2      PHE  88  -6.240   2.775   2.775
 1401    HZ   PHE  88           HZ       PHE  88  -3.976   3.786   3.786
 1402    H    GLU  89           H        GLU  89  -8.866  10.138  10.138
 1403    HA   GLU  89           HA       GLU  89 -11.614   9.283   9.283
 1404   1HB   GLU  89          2HB       GLU  89  -9.941  11.678  11.678
 1405   2HB   GLU  89          1HB       GLU  89 -10.993  11.555  11.555
 1406   1HG   GLU  89          2HG       GLU  89 -12.431  10.833  10.833
 1407   2HG   GLU  89          1HG       GLU  89 -11.719  12.439  12.439
 1408    H    HIS  90           H        HIS  90 -12.345   8.425   8.425
 1409    HA   HIS  90           HA       HIS  90 -12.204   7.415   7.415
 1410   1HB   HIS  90          2HB       HIS  90 -11.466  10.042  10.042
 1411   2HB   HIS  90          1HB       HIS  90 -10.024   9.265   9.265
 1412    HD1  HIS  90           HD1      HIS  90 -10.495   9.974   9.974
 1413    HD2  HIS  90           HD2      HIS  90 -13.583   7.748   7.748
 1414    HE1  HIS  90           HE1      HIS  90 -12.043   9.330   9.330
 1415    H    GLU  91           H        GLU  91 -11.194   5.447   5.447
 1416    HA   GLU  91           HA       GLU  91  -8.590   4.887   4.887
 1417   1HB   GLU  91          2HB       GLU  91  -9.038   2.691   2.691
 1418   2HB   GLU  91          1HB       GLU  91 -10.222   3.155   3.155
 1419   1HG   GLU  91          2HG       GLU  91 -10.799   4.333   4.333
 1420   2HG   GLU  91          1HG       GLU  91 -10.788   2.569   2.569

  Start of MODEL    9
    1   1H    MET   0          1H        MET   0  -3.723 -11.527 -11.527
    2   2H    MET   0          3H        MET   0  -2.676 -12.175 -12.175
    3   3H    MET   0          2H        MET   0  -3.791 -10.968 -10.968
    4    HA   MET   0           HA       MET   0  -1.598  -9.987  -9.987
    5   1HB   MET   0          2HB       MET   0  -1.099 -11.961 -11.961
    6   2HB   MET   0          1HB       MET   0  -1.643 -10.817 -10.817
    7   1HG   MET   0          2HG       MET   0   0.104  -9.387  -9.387
    8   2HG   MET   0          1HG       MET   0   0.896 -10.922 -10.922
    9   1HE   MET   0          1HE       MET   0  -1.145  -8.101  -8.101
   10   2HE   MET   0          3HE       MET   0  -0.645  -7.766  -7.766
   11   3HE   MET   0          2HE       MET   0  -1.713  -9.124  -9.124
   12    H    SER   1           H        SER   1  -2.625  -7.984  -7.984
   13    HA   SER   1           HA       SER   1  -4.378  -7.018  -7.018
   14   1HB   SER   1          2HB       SER   1  -4.564  -6.830  -6.830
   15   2HB   SER   1          1HB       SER   1  -3.544  -5.414  -5.414
   16    HG   SER   1           HG       SER   1  -5.690  -4.796  -4.796
   17    H    GLU   2           H        GLU   2  -1.063  -6.967  -6.967
   18    HA   GLU   2           HA       GLU   2  -0.013  -4.471  -4.471
   19   1HB   GLU   2          2HB       GLU   2   0.666  -7.227  -7.227
   20   2HB   GLU   2          1HB       GLU   2   1.324  -6.126  -6.126
   21   1HG   GLU   2          2HG       GLU   2   2.439  -4.813  -4.813
   22   2HG   GLU   2          1HG       GLU   2   1.645  -5.719  -5.719
   23    H    LEU   3           H        LEU   3  -1.859  -6.370  -6.370
   24    HA   LEU   3           HA       LEU   3  -1.277  -4.917  -4.917
   25   1HB   LEU   3          2HB       LEU   3  -3.672  -6.444  -6.444
   26   2HB   LEU   3          1HB       LEU   3  -3.589  -5.836  -5.836
   27    HG   LEU   3           HG       LEU   3  -1.188  -7.303  -7.303
   28   1HD1  LEU   3          1HD1      LEU   3  -3.359  -8.443  -8.443
   29   2HD1  LEU   3          3HD1      LEU   3  -3.564  -9.013  -9.013
   30   3HD1  LEU   3          2HD1      LEU   3  -2.101  -9.417  -9.417
   31   1HD2  LEU   3          3HD2      LEU   3  -3.013  -7.128  -7.128
   32   2HD2  LEU   3          2HD2      LEU   3  -1.282  -6.808  -6.808
   33   3HD2  LEU   3          1HD2      LEU   3  -1.876  -8.469  -8.469
   34    H    GLU   4           H        GLU   4  -4.179  -4.640  -4.640
   35    HA   GLU   4           HA       GLU   4  -5.085  -2.151  -2.151
   36   1HB   GLU   4          2HB       GLU   4  -6.601  -3.532  -3.532
   37   2HB   GLU   4          1HB       GLU   4  -5.507  -3.648  -3.648
   38   1HG   GLU   4          2HG       GLU   4  -5.793  -1.050  -1.050
   39   2HG   GLU   4          1HG       GLU   4  -7.231  -1.333  -1.333
   40    H    LYS   5           H        LYS   5  -2.695  -3.031  -3.031
   41    HA   LYS   5           HA       LYS   5  -2.450  -0.469  -0.469
   42   1HB   LYS   5          2HB       LYS   5  -0.392  -2.671  -2.671
   43   2HB   LYS   5          1HB       LYS   5  -0.457  -1.511  -1.511
   44   1HG   LYS   5          2HG       LYS   5  -2.933  -3.107  -3.107
   45   2HG   LYS   5          1HG       LYS   5  -1.519  -4.030  -4.030
   46   1HD   LYS   5          2HD       LYS   5  -1.989  -3.335  -3.335
   47   2HD   LYS   5          1HD       LYS   5  -1.384  -1.759  -1.759
   48   1HE   LYS   5          2HE       LYS   5  -4.134  -2.151  -2.151
   49   2HE   LYS   5          1HE       LYS   5  -3.983  -2.301  -2.301
   50   1HZ   LYS   5          2HZ       LYS   5  -2.806  -0.115  -0.115
   51   2HZ   LYS   5          1HZ       LYS   5  -4.216   0.026   0.026
   52   3HZ   LYS   5          3HZ       LYS   5  -2.723  -0.258  -0.258
   53    H    ALA   6           H        ALA   6  -0.987  -2.014  -2.014
   54    HA   ALA   6           HA       ALA   6   0.959   0.022   0.022
   55   1HB   ALA   6          2HB       ALA   6   0.506  -2.389  -2.389
   56   2HB   ALA   6          1HB       ALA   6  -0.585  -1.550  -1.550
   57   3HB   ALA   6          3HB       ALA   6   1.132  -1.148  -1.148
   58    H    VAL   7           H        VAL   7  -2.422  -0.519  -0.519
   59    HA   VAL   7           HA       VAL   7  -2.899   1.740   1.740
   60    HB   VAL   7           HB       VAL   7  -4.425   0.046   0.046
   61   1HG1  VAL   7          3HG1      VAL   7  -5.470   2.234   2.234
   62   2HG1  VAL   7          2HG1      VAL   7  -6.488   0.988   0.988
   63   3HG1  VAL   7          1HG1      VAL   7  -5.601   2.116   2.116
   64   1HG2  VAL   7          1HG2      VAL   7  -3.594  -0.269  -0.269
   65   2HG2  VAL   7          3HG2      VAL   7  -4.577  -1.368  -1.368
   66   3HG2  VAL   7          2HG2      VAL   7  -5.351  -0.111  -0.111
   67    H    VAL   8           H        VAL   8  -3.591   1.343   1.343
   68    HA   VAL   8           HA       VAL   8  -4.213   3.928   3.928
   69    HB   VAL   8           HB       VAL   8  -2.422   1.853   1.853
   70   1HG1  VAL   8          3HG1      VAL   8  -2.160   4.213   4.213
   71   2HG1  VAL   8          2HG1      VAL   8  -3.862   4.138   4.138
   72   3HG1  VAL   8          1HG1      VAL   8  -2.706   3.011   3.011
   73   1HG2  VAL   8          3HG2      VAL   8  -5.202   1.954   1.954
   74   2HG2  VAL   8          2HG2      VAL   8  -4.351   0.779   0.779
   75   3HG2  VAL   8          1HG2      VAL   8  -5.027   2.237   2.237
   76    H    ALA   9           H        ALA   9  -1.063   2.651   2.651
   77    HA   ALA   9           HA       ALA   9   0.552   4.853   4.853
   78   1HB   ALA   9          1HB       ALA   9   0.893   2.354   2.354
   79   2HB   ALA   9          3HB       ALA   9   1.380   3.440   3.440
   80   3HB   ALA   9          2HB       ALA   9   2.185   3.524   3.524
   81    H    LEU  10           H        LEU  10  -0.377   4.013   4.013
   82    HA   LEU  10           HA       LEU  10   0.247   6.498   6.498
   83   1HB   LEU  10          2HB       LEU  10  -2.227   4.995   4.995
   84   2HB   LEU  10          1HB       LEU  10  -1.108   5.796   5.796
   85    HG   LEU  10           HG       LEU  10  -0.369   3.707   3.707
   86   1HD1  LEU  10          1HD1      LEU  10   1.319   5.012   5.012
   87   2HD1  LEU  10          3HD1      LEU  10   1.137   3.467   3.467
   88   3HD1  LEU  10          2HD1      LEU  10   1.711   3.511   3.511
   89   1HD2  LEU  10          3HD2      LEU  10  -1.659   3.029   3.029
   90   2HD2  LEU  10          2HD2      LEU  10  -1.738   2.201   2.201
   91   3HD2  LEU  10          1HD2      LEU  10  -0.338   1.979   1.979
   92    H    ILE  11           H        ILE  11  -2.916   5.336   5.336
   93    HA   ILE  11           HA       ILE  11  -4.499   7.462   7.462
   94    HB   ILE  11           HB       ILE  11  -5.963   6.766   6.766
   95   1HG1  ILE  11          2HG1      ILE  11  -4.905   5.661   5.661
   96   2HG1  ILE  11          1HG1      ILE  11  -3.525   6.656   6.656
   97   1HG2  ILE  11          3HG2      ILE  11  -4.539   4.752   4.752
   98   2HG2  ILE  11          2HG2      ILE  11  -4.456   4.340   4.340
   99   3HG2  ILE  11          1HG2      ILE  11  -6.016   4.557   4.557
  100   1HD1  ILE  11          3HD1      ILE  11  -6.111   8.055   8.055
  101   2HD1  ILE  11          2HD1      ILE  11  -5.658   7.550   7.550
  102   3HD1  ILE  11          1HD1      ILE  11  -4.582   8.590   8.590
  103    H    ASP  12           H        ASP  12  -2.014   7.293   7.293
  104    HA   ASP  12           HA       ASP  12  -2.374  10.057  10.057
  105   1HB   ASP  12          2HB       ASP  12  -1.159   7.599   7.599
  106   2HB   ASP  12          1HB       ASP  12   0.130   8.798   8.798
  107    H    VAL  13           H        VAL  13  -0.083   8.164   8.164
  108    HA   VAL  13           HA       VAL  13   1.683  10.365  10.365
  109    HB   VAL  13           HB       VAL  13   1.190   7.992   7.992
  110   1HG1  VAL  13          1HG1      VAL  13   3.100  10.044  10.044
  111   2HG1  VAL  13          3HG1      VAL  13   3.920   8.614   8.614
  112   3HG1  VAL  13          2HG1      VAL  13   3.185   8.579   8.579
  113   1HG2  VAL  13          2HG2      VAL  13   1.780   7.913   7.913
  114   2HG2  VAL  13          1HG2      VAL  13   1.554   6.568   6.568
  115   3HG2  VAL  13          3HG2      VAL  13   3.149   7.293   7.293
  116    H    PHE  14           H        PHE  14  -0.718   8.719   8.719
  117    HA   PHE  14           HA       PHE  14  -0.690  10.631  10.631
  118   1HB   PHE  14          2HB       PHE  14  -2.311   8.403   8.403
  119   2HB   PHE  14          1HB       PHE  14  -3.429   9.767   9.767
  120    HD1  PHE  14           HD1      PHE  14  -3.269  11.376  11.376
  121    HD2  PHE  14           HD2      PHE  14  -1.513   7.450   7.450
  122    HE1  PHE  14           HE1      PHE  14  -3.076  11.397  11.397
  123    HE2  PHE  14           HE2      PHE  14  -1.332   7.465   7.465
  124    HZ   PHE  14           HZ       PHE  14  -2.115   9.446   9.446
  125    H    HIS  15           H        HIS  15  -2.422  10.755  10.755
  126    HA   HIS  15           HA       HIS  15  -3.948  13.084  13.084
  127   1HB   HIS  15          2HB       HIS  15  -3.913  11.684  11.684
  128   2HB   HIS  15          1HB       HIS  15  -2.291  12.261  12.261
  129    HD1  HIS  15           HD1      HIS  15  -5.581  12.878  12.878
  130    HD2  HIS  15           HD2      HIS  15  -2.457  15.400  15.400
  131    HE1  HIS  15           HE1      HIS  15  -6.113  15.156  15.156
  132    H    GLN  16           H        GLN  16  -0.487  12.821  12.821
  133    HA   GLN  16           HA       GLN  16  -0.088  15.716  15.716
  134   1HB   GLN  16          2HB       GLN  16   1.336  14.422  14.422
  135   2HB   GLN  16          1HB       GLN  16   1.671  13.260  13.260
  136   1HG   GLN  16          2HG       GLN  16   2.808  15.125  15.125
  137   2HG   GLN  16          1HG       GLN  16   2.628  16.127  16.127
  138   1HE2  GLN  16          2HE2      GLN  16   5.535  13.304  13.304
  139   2HE2  GLN  16          1HE2      GLN  16   4.489  13.542  13.542
  140    H    TYR  17           H        TYR  17   1.669  13.318  13.318
  141    HA   TYR  17           HA       TYR  17   2.618  14.772  14.772
  142   1HB   TYR  17          2HB       TYR  17   1.300  12.083  12.083
  143   2HB   TYR  17          1HB       TYR  17   1.845  12.664  12.664
  144    HD1  TYR  17           HD1      TYR  17   2.952  11.955  11.955
  145    HD2  TYR  17           HD2      TYR  17   4.147  12.699  12.699
  146    HE1  TYR  17           HE1      TYR  17   5.281  11.320  11.320
  147    HE2  TYR  17           HE2      TYR  17   6.478  12.075  12.075
  148    HH   TYR  17           HH       TYR  17   7.404  11.281  11.281
  149    H    SER  18           H        SER  18  -0.766  13.618  13.618
  150    HA   SER  18           HA       SER  18  -1.450  15.177  15.177
  151   1HB   SER  18          2HB       SER  18  -3.402  13.864  13.864
  152   2HB   SER  18          1HB       SER  18  -2.201  12.788  12.788
  153    HG   SER  18           HG       SER  18  -2.950  13.756  13.756
  154    H    GLY  19           H        GLY  19  -1.489  15.651  15.651
  155   1HA   GLY  19          2HA       GLY  19  -3.063  18.135  18.135
  156   2HA   GLY  19          1HA       GLY  19  -3.630  17.011  17.011
  157    H    ARG  20           H        ARG  20  -0.272  17.952  17.952
  158    HA   ARG  20           HA       ARG  20  -0.027  18.918  18.918
  159   1HB   ARG  20          2HB       ARG  20   2.280  18.152  18.152
  160   2HB   ARG  20          1HB       ARG  20   1.233  16.841  16.841
  161   1HG   ARG  20          2HG       ARG  20   1.714  17.268  17.268
  162   2HG   ARG  20          1HG       ARG  20   2.486  18.806  18.806
  163   1HD   ARG  20          2HD       ARG  20   3.920  16.999  16.999
  164   2HD   ARG  20          1HD       ARG  20   3.631  16.110  16.110
  165    HE   ARG  20           HE       ARG  20   4.329  18.649  18.649
  166   1HH1  ARG  20          2HH1      ARG  20   5.801  15.795  15.795
  167   2HH1  ARG  20          1HH1      ARG  20   7.389  16.463  16.463
  168   1HH2  ARG  20          1HH2      ARG  20   6.342  19.745  19.745
  169   2HH2  ARG  20          2HH2      ARG  20   7.695  18.699  18.699
  170    H    GLU  21           H        GLU  21   0.236  19.736  19.736
  171    HA   GLU  21           HA       GLU  21   1.669  22.277  22.277
  172   1HB   GLU  21          2HB       GLU  21   2.922  20.946  20.946
  173   2HB   GLU  21          1HB       GLU  21   1.481  20.593  20.593
  174   1HG   GLU  21          2HG       GLU  21   1.326  22.858  22.858
  175   2HG   GLU  21          1HG       GLU  21   2.541  23.401  23.401
  176    H    GLY  22           H        GLY  22  -0.341  21.358  21.358
  177   1HA   GLY  22          2HA       GLY  22  -2.384  23.356  23.356
  178   2HA   GLY  22          1HA       GLY  22  -1.584  23.581  23.581
  179    H    ASP  23           H        ASP  23  -1.398  20.949  20.949
  180    HA   ASP  23           HA       ASP  23  -3.798  20.441  20.441
  181   1HB   ASP  23          2HB       ASP  23  -1.739  18.488  18.488
  182   2HB   ASP  23          1HB       ASP  23  -2.903  18.115  18.115
  183    H    LYS  24           H        LYS  24  -5.665  19.198  19.198
  184    HA   LYS  24           HA       LYS  24  -6.487  19.069  19.069
  185   1HB   LYS  24          2HB       LYS  24  -7.573  18.777  18.777
  186   2HB   LYS  24          1HB       LYS  24  -8.231  17.551  17.551
  187   1HG   LYS  24          2HG       LYS  24  -8.155  20.519  20.519
  188   2HG   LYS  24          1HG       LYS  24  -9.570  19.663  19.663
  189   1HD   LYS  24          2HD       LYS  24  -9.546  18.189  18.189
  190   2HD   LYS  24          1HD       LYS  24  -8.122  19.031  19.031
  191   1HE   LYS  24          2HE       LYS  24  -9.422  21.149  21.149
  192   2HE   LYS  24          1HE       LYS  24 -10.859  20.269  20.269
  193   1HZ   LYS  24          1HZ       LYS  24  -9.469  18.976  18.976
  194   2HZ   LYS  24          3HZ       LYS  24 -10.092  20.495  20.495
  195   3HZ   LYS  24          2HZ       LYS  24 -11.128  19.294  19.294
  196    H    HIS  25           H        HIS  25  -6.782  16.331  16.331
  197    HA   HIS  25           HA       HIS  25  -5.254  14.622  14.622
  198   1HB   HIS  25          2HB       HIS  25  -8.133  14.478  14.478
  199   2HB   HIS  25          1HB       HIS  25  -7.274  12.985  12.985
  200    HD1  HIS  25           HD1      HIS  25  -9.424  15.135  15.135
  201    HD2  HIS  25           HD2      HIS  25  -5.628  13.720  13.720
  202    HE1  HIS  25           HE1      HIS  25  -9.182  15.420  15.420
  203    H    LYS  26           H        LYS  26  -4.013  15.277  15.277
  204    HA   LYS  26           HA       LYS  26  -4.035  12.788  12.788
  205   1HB   LYS  26          2HB       LYS  26  -4.627  15.572  15.572
  206   2HB   LYS  26          1HB       LYS  26  -4.013  14.307  14.307
  207   1HG   LYS  26          2HG       LYS  26  -6.233  13.839  13.839
  208   2HG   LYS  26          1HG       LYS  26  -6.006  12.948  12.948
  209   1HD   LYS  26          2HD       LYS  26  -6.457  15.461  15.461
  210   2HD   LYS  26          1HD       LYS  26  -7.458  15.473  15.473
  211   1HE   LYS  26          2HE       LYS  26  -8.032  12.993  12.993
  212   2HE   LYS  26          1HE       LYS  26  -7.855  14.001  14.001
  213   1HZ   LYS  26          3HZ       LYS  26  -9.161  15.683  15.683
  214   2HZ   LYS  26          2HZ       LYS  26  -9.762  14.232  14.232
  215   3HZ   LYS  26          1HZ       LYS  26  -9.966  14.579  14.579
  216    H    LEU  27           H        LEU  27  -2.092  13.166  13.166
  217    HA   LEU  27           HA       LEU  27   0.080  14.691  14.691
  218   1HB   LEU  27          2HB       LEU  27  -0.139  11.787  11.787
  219   2HB   LEU  27          1HB       LEU  27   1.453  12.549  12.549
  220    HG   LEU  27           HG       LEU  27  -0.232  13.165  13.165
  221   1HD1  LEU  27          2HD1      LEU  27  -0.229  10.537  10.537
  222   2HD1  LEU  27          1HD1      LEU  27   1.200  10.597  10.597
  223   3HD1  LEU  27          3HD1      LEU  27  -0.372  11.078  11.078
  224   1HD2  LEU  27          3HD2      LEU  27   2.567  13.053  13.053
  225   2HD2  LEU  27          2HD2      LEU  27   1.827  13.908  13.908
  226   3HD2  LEU  27          1HD2      LEU  27   2.303  12.220  12.220
  227    H    LYS  28           H        LYS  28   2.142  14.492  14.492
  228    HA   LYS  28           HA       LYS  28   1.312  14.769  14.769
  229   1HB   LYS  28          2HB       LYS  28   1.376  16.935  16.935
  230   2HB   LYS  28          1HB       LYS  28   3.127  16.743  16.743
  231   1HG   LYS  28          2HG       LYS  28   2.881  16.579  16.579
  232   2HG   LYS  28          1HG       LYS  28   1.215  17.117  17.117
  233   1HD   LYS  28          2HD       LYS  28   3.432  18.680  18.680
  234   2HD   LYS  28          1HD       LYS  28   3.120  18.889  18.889
  235   1HE   LYS  28          2HE       LYS  28   0.661  19.265  19.265
  236   2HE   LYS  28          1HE       LYS  28   1.228  19.410  19.410
  237   1HZ   LYS  28          2HZ       LYS  28   2.604  20.872  20.872
  238   2HZ   LYS  28          1HZ       LYS  28   1.180  21.512  21.512
  239   3HZ   LYS  28          3HZ       LYS  28   2.531  21.231  21.231
  240    H    LYS  29           H        LYS  29   3.183  14.650  14.650
  241    HA   LYS  29           HA       LYS  29   4.984  12.583  12.583
  242   1HB   LYS  29          2HB       LYS  29   5.394  15.205  15.205
  243   2HB   LYS  29          1HB       LYS  29   6.269  13.707  13.707
  244   1HG   LYS  29          2HG       LYS  29   4.505  12.760  12.760
  245   2HG   LYS  29          1HG       LYS  29   3.320  13.456  13.456
  246   1HD   LYS  29          2HD       LYS  29   3.679  15.676  15.676
  247   2HD   LYS  29          1HD       LYS  29   4.721  14.874  14.874
  248   1HE   LYS  29          2HE       LYS  29   2.941  13.680  13.680
  249   2HE   LYS  29          1HE       LYS  29   1.933  13.833  13.833
  250   1HZ   LYS  29          1HZ       LYS  29   2.811  16.122  16.122
  251   2HZ   LYS  29          3HZ       LYS  29   1.286  15.388  15.388
  252   3HZ   LYS  29          2HZ       LYS  29   1.739  16.179  16.179
  253    H    SER  30           H        SER  30   5.178  15.810  15.810
  254    HA   SER  30           HA       SER  30   8.021  15.562  15.562
  255   1HB   SER  30          2HB       SER  30   7.533  17.771  17.771
  256   2HB   SER  30          1HB       SER  30   5.833  17.562  17.562
  257    HG   SER  30           HG       SER  30   7.842  18.473  18.473
  258    H    GLU  31           H        GLU  31   4.910  15.780  15.780
  259    HA   GLU  31           HA       GLU  31   5.998  15.339  15.339
  260   1HB   GLU  31          2HB       GLU  31   3.310  14.486  14.486
  261   2HB   GLU  31          1HB       GLU  31   3.681  14.726  14.726
  262   1HG   GLU  31          2HG       GLU  31   4.114  17.094  17.094
  263   2HG   GLU  31          1HG       GLU  31   3.887  16.893  16.893
  264    H    LEU  32           H        LEU  32   5.215  13.151  13.151
  265    HA   LEU  32           HA       LEU  32   5.300  10.669  10.669
  266   1HB   LEU  32          2HB       LEU  32   4.860  11.571  11.571
  267   2HB   LEU  32          1HB       LEU  32   6.384  10.696  10.696
  268    HG   LEU  32           HG       LEU  32   4.577   9.125   9.125
  269   1HD1  LEU  32          3HD1      LEU  32   5.941   8.897   8.897
  270   2HD1  LEU  32          2HD1      LEU  32   4.904   7.614   7.614
  271   3HD1  LEU  32          1HD1      LEU  32   6.357   8.085   8.085
  272   1HD2  LEU  32          3HD2      LEU  32   3.215  10.736  10.736
  273   2HD2  LEU  32          2HD2      LEU  32   2.596   9.288   9.288
  274   3HD2  LEU  32          1HD2      LEU  32   3.375   9.164   9.164
  275    H    LYS  33           H        LYS  33   7.824  12.384  12.384
  276    HA   LYS  33           HA       LYS  33  10.021  10.719  10.719
  277   1HB   LYS  33          2HB       LYS  33   9.460  13.482  13.482
  278   2HB   LYS  33          1HB       LYS  33  10.912  13.381  13.381
  279   1HG   LYS  33          2HG       LYS  33  10.698  11.348  11.348
  280   2HG   LYS  33          1HG       LYS  33  10.923  13.009  13.009
  281   1HD   LYS  33          2HD       LYS  33  12.938  13.253  13.253
  282   2HD   LYS  33          1HD       LYS  33  12.649  11.737  11.737
  283   1HE   LYS  33          2HE       LYS  33  13.054  10.436  10.436
  284   2HE   LYS  33          1HE       LYS  33  13.057  11.889  11.889
  285   1HZ   LYS  33          1HZ       LYS  33  14.939  11.374  11.374
  286   2HZ   LYS  33          3HZ       LYS  33  15.319  11.188  11.188
  287   3HZ   LYS  33          2HZ       LYS  33  14.949  12.728  12.728
  288    H    GLU  34           H        GLU  34   9.201  13.549  13.549
  289    HA   GLU  34           HA       GLU  34  10.999  13.091  13.091
  290   1HB   GLU  34          2HB       GLU  34   8.917  14.786  14.786
  291   2HB   GLU  34          1HB       GLU  34   8.233  13.830  13.830
  292   1HG   GLU  34          2HG       GLU  34   9.732  14.632  14.632
  293   2HG   GLU  34          1HG       GLU  34  11.034  14.768  14.768
  294    H    LEU  35           H        LEU  35   7.612  11.946  11.946
  295    HA   LEU  35           HA       LEU  35   7.442  10.365  10.365
  296   1HB   LEU  35          2HB       LEU  35   5.870  10.801  10.801
  297   2HB   LEU  35          1HB       LEU  35   6.573   9.313   9.313
  298    HG   LEU  35           HG       LEU  35   5.852   8.968   8.968
  299   1HD1  LEU  35          3HD1      LEU  35   4.039  10.580  10.580
  300   2HD1  LEU  35          2HD1      LEU  35   3.284   9.038   9.038
  301   3HD1  LEU  35          1HD1      LEU  35   3.897  10.084  10.084
  302   1HD2  LEU  35          2HD2      LEU  35   6.223   7.249   7.249
  303   2HD2  LEU  35          1HD2      LEU  35   4.777   7.005   7.005
  304   3HD2  LEU  35          3HD2      LEU  35   4.644   7.714   7.714
  305    H    ILE  36           H        ILE  36   9.152   9.566   9.566
  306    HA   ILE  36           HA       ILE  36   9.887   6.879   6.879
  307    HB   ILE  36           HB       ILE  36  10.409   8.678   8.678
  308   1HG1  ILE  36          2HG1      ILE  36   9.582   6.418   6.418
  309   2HG1  ILE  36          1HG1      ILE  36   9.024   6.075   6.075
  310   1HG2  ILE  36          3HG2      ILE  36  12.059   6.379   6.379
  311   2HG2  ILE  36          2HG2      ILE  36  11.637   6.412   6.412
  312   3HG2  ILE  36          1HG2      ILE  36  12.512   7.765   7.765
  313   1HD1  ILE  36          3HD1      ILE  36   7.775   8.215   8.215
  314   2HD1  ILE  36          2HD1      ILE  36   8.300   8.516   8.516
  315   3HD1  ILE  36          1HD1      ILE  36   7.237   7.153   7.153
  316    H    ASN  37           H        ASN  37  11.675   9.928   9.928
  317    HA   ASN  37           HA       ASN  37  14.186   8.989   8.989
  318   1HB   ASN  37          2HB       ASN  37  13.214  11.829  11.829
  319   2HB   ASN  37          1HB       ASN  37  14.852  11.230  11.230
  320   1HD2  ASN  37          2HD2      ASN  37  13.586   9.772   9.772
  321   2HD2  ASN  37          1HD2      ASN  37  14.049   9.043   9.043
  322    H    ASN  38           H        ASN  38  11.280  10.066  10.066
  323    HA   ASN  38           HA       ASN  38  12.618  10.752  10.752
  324   1HB   ASN  38          2HB       ASN  38   9.893  10.875  10.875
  325   2HB   ASN  38          1HB       ASN  38   9.995  10.832  10.832
  326   1HD2  ASN  38          2HD2      ASN  38  11.471  14.104  14.104
  327   2HD2  ASN  38          1HD2      ASN  38  11.241  12.649  12.649
  328    H    GLU  39           H        GLU  39  11.536   7.953   7.953
  329    HA   GLU  39           HA       GLU  39  11.145   6.513   6.513
  330   1HB   GLU  39          2HB       GLU  39   9.614   5.085   5.085
  331   2HB   GLU  39          1HB       GLU  39   9.150   6.768   6.768
  332   1HG   GLU  39          2HG       GLU  39  10.336   6.817   6.817
  333   2HG   GLU  39          1HG       GLU  39  10.792   5.131   5.131
  334    H    LEU  40           H        LEU  40  12.398   6.220   6.220
  335    HA   LEU  40           HA       LEU  40  14.068   3.910   3.910
  336   1HB   LEU  40          2HB       LEU  40  13.071   4.716   4.716
  337   2HB   LEU  40          1HB       LEU  40  14.020   3.271   3.271
  338    HG   LEU  40           HG       LEU  40  11.679   3.545   3.545
  339   1HD1  LEU  40          2HD1      LEU  40  11.167   4.413   4.413
  340   2HD1  LEU  40          1HD1      LEU  40  10.886   2.681   2.681
  341   3HD1  LEU  40          3HD1      LEU  40   9.978   3.604   3.604
  342   1HD2  LEU  40          3HD2      LEU  40  12.899   1.440   1.440
  343   2HD2  LEU  40          2HD2      LEU  40  12.846   1.478   1.478
  344   3HD2  LEU  40          1HD2      LEU  40  11.373   1.172   1.172
  345    H    SER  41           H        SER  41  15.444   5.916   5.916
  346    HA   SER  41           HA       SER  41  16.811   7.719   7.719
  347   1HB   SER  41          2HB       SER  41  18.439   7.687   7.687
  348   2HB   SER  41          1HB       SER  41  16.981   7.098   7.098
  349    HG   SER  41           HG       SER  41  17.898   5.219   5.219
  350    H    HIS  42           H        HIS  42  17.156   4.217   4.217
  351    HA   HIS  42           HA       HIS  42  19.654   3.937   3.937
  352   1HB   HIS  42          2HB       HIS  42  17.095   2.305   2.305
  353   2HB   HIS  42          1HB       HIS  42  18.619   1.728   1.728
  354    HD1  HIS  42           HD1      HIS  42  18.538  -0.147  -0.147
  355    HD2  HIS  42           HD2      HIS  42  19.026   3.766   3.766
  356    HE1  HIS  42           HE1      HIS  42  19.338  -0.311  -0.311
  357    H    PHE  43           H        PHE  43  16.340   4.311   4.311
  358    HA   PHE  43           HA       PHE  43  17.077   4.155   4.155
  359   1HB   PHE  43          2HB       PHE  43  14.764   5.251   5.251
  360   2HB   PHE  43          1HB       PHE  43  14.818   5.438   5.438
  361    HD1  PHE  43           HD2      PHE  43  16.549   2.454   2.454
  362    HD2  PHE  43           HD1      PHE  43  12.571   4.078   4.078
  363    HE1  PHE  43           HE2      PHE  43  15.591   0.182   0.182
  364    HE2  PHE  43           HE1      PHE  43  11.624   1.802   1.802
  365    HZ   PHE  43           HZ       PHE  43  13.131  -0.141  -0.141
  366    H    LEU  44           H        LEU  44  17.459   6.626   6.626
  367    HA   LEU  44           HA       LEU  44  17.272   9.032   9.032
  368   1HB   LEU  44          2HB       LEU  44  18.038   8.402   8.402
  369   2HB   LEU  44          1HB       LEU  44  19.656   8.377   8.377
  370    HG   LEU  44           HG       LEU  44  19.357  10.678  10.678
  371   1HD1  LEU  44          1HD1      LEU  44  16.601  10.037  10.037
  372   2HD1  LEU  44          3HD1      LEU  44  17.036  11.469  11.469
  373   3HD1  LEU  44          2HD1      LEU  44  17.268  11.455  11.455
  374   1HD2  LEU  44          3HD2      LEU  44  18.683  10.224  10.224
  375   2HD2  LEU  44          2HD2      LEU  44  20.287  10.448  10.448
  376   3HD2  LEU  44          1HD2      LEU  44  19.146  11.792  11.792
  377    H    GLU  45           H        GLU  45  19.704   6.528   6.528
  378    HA   GLU  45           HA       GLU  45  21.376   7.898   7.898
  379   1HB   GLU  45          2HB       GLU  45  21.584   5.903   5.903
  380   2HB   GLU  45          1HB       GLU  45  22.080   5.175   5.175
  381   1HG   GLU  45          2HG       GLU  45  23.116   7.865   7.865
  382   2HG   GLU  45          1HG       GLU  45  23.926   6.354   6.354
  383    H    GLU  46           H        GLU  46  18.939   5.420   5.420
  384    HA   GLU  46           HA       GLU  46  17.682   4.259   4.259
  385   1HB   GLU  46          2HB       GLU  46  18.144   6.699   6.699
  386   2HB   GLU  46          1HB       GLU  46  19.114   5.806   5.806
  387   1HG   GLU  46          2HG       GLU  46  17.220   5.333   5.333
  388   2HG   GLU  46          1HG       GLU  46  16.697   4.369   4.369
  389    H    ILE  47           H        ILE  47  20.964   4.927   4.927
  390    HA   ILE  47           HA       ILE  47  21.513   2.805   2.805
  391    HB   ILE  47           HB       ILE  47  23.021   4.651   4.651
  392   1HG1  ILE  47          2HG1      ILE  47  23.808   2.862   2.862
  393   2HG1  ILE  47          1HG1      ILE  47  25.059   3.363   3.363
  394   1HG2  ILE  47          2HG2      ILE  47  23.336   2.510   2.510
  395   2HG2  ILE  47          1HG2      ILE  47  24.424   3.889   3.889
  396   3HG2  ILE  47          3HG2      ILE  47  22.729   4.148   4.148
  397   1HD1  ILE  47          3HD1      ILE  47  23.892   1.377   1.377
  398   2HD1  ILE  47          2HD1      ILE  47  23.613   0.781   0.781
  399   3HD1  ILE  47          1HD1      ILE  47  25.256   1.110   1.110
  400    H    LYS  48           H        LYS  48  21.117   2.655   2.655
  401    HA   LYS  48           HA       LYS  48  22.091   0.151   0.151
  402   1HB   LYS  48          2HB       LYS  48  19.360   1.294   1.294
  403   2HB   LYS  48          1HB       LYS  48  20.326   0.189   0.189
  404   1HG   LYS  48          2HG       LYS  48  20.863   3.092   3.092
  405   2HG   LYS  48          1HG       LYS  48  20.739   2.315   2.315
  406   1HD   LYS  48          2HD       LYS  48  22.814   1.044   1.044
  407   2HD   LYS  48          1HD       LYS  48  22.950   1.869   1.869
  408   1HE   LYS  48          2HE       LYS  48  24.180   3.415   3.415
  409   2HE   LYS  48          1HE       LYS  48  22.622   3.970   3.970
  410   1HZ   LYS  48          3HZ       LYS  48  24.068   1.674   1.674
  411   2HZ   LYS  48          2HZ       LYS  48  24.372   3.265   3.265
  412   3HZ   LYS  48          1HZ       LYS  48  22.821   2.595   2.595
  413    H    GLU  49           H        GLU  49  19.452   0.942   0.942
  414    HA   GLU  49           HA       GLU  49  19.084  -1.950  -1.950
  415   1HB   GLU  49          2HB       GLU  49  16.575  -1.445  -1.445
  416   2HB   GLU  49          1HB       GLU  49  17.395  -1.486  -1.486
  417   1HG   GLU  49          2HG       GLU  49  17.396   0.854   0.854
  418   2HG   GLU  49          1HG       GLU  49  17.144   1.104   1.104
  419    H    GLN  50           H        GLN  50  20.261  -1.236  -1.236
  420    HA   GLN  50           HA       GLN  50  19.559   0.853   0.853
  421   1HB   GLN  50          2HB       GLN  50  20.936  -1.747  -1.747
  422   2HB   GLN  50          1HB       GLN  50  20.310  -1.221  -1.221
  423   1HG   GLN  50          2HG       GLN  50  22.033   0.476   0.476
  424   2HG   GLN  50          1HG       GLN  50  22.623  -0.394  -0.394
  425   1HE2  GLN  50          2HE2      GLN  50  20.526   1.752   1.752
  426   2HE2  GLN  50          1HE2      GLN  50  20.676   0.086   0.086
  427    H    GLU  51           H        GLU  51  18.745  -2.475  -2.475
  428    HA   GLU  51           HA       GLU  51  16.773  -2.051  -2.051
  429   1HB   GLU  51          2HB       GLU  51  17.606  -4.244  -4.244
  430   2HB   GLU  51          1HB       GLU  51  16.725  -4.073  -4.073
  431   1HG   GLU  51          2HG       GLU  51  14.726  -3.597  -3.597
  432   2HG   GLU  51          1HG       GLU  51  15.712  -4.732  -4.732
  433    H    VAL  52           H        VAL  52  16.357  -1.690  -1.690
  434    HA   VAL  52           HA       VAL  52  13.468  -1.332  -1.332
  435    HB   VAL  52           HB       VAL  52  15.424  -0.498  -0.498
  436   1HG1  VAL  52          1HG1      VAL  52  12.496  -0.667  -0.667
  437   2HG1  VAL  52          3HG1      VAL  52  13.126  -1.458  -1.458
  438   3HG1  VAL  52          2HG1      VAL  52  13.465   0.247   0.247
  439   1HG2  VAL  52          3HG2      VAL  52  14.106  -3.180  -3.180
  440   2HG2  VAL  52          2HG2      VAL  52  15.834  -2.837  -2.837
  441   3HG2  VAL  52          1HG2      VAL  52  14.980  -2.774  -2.774
  442    H    VAL  53           H        VAL  53  16.306   0.810   0.810
  443    HA   VAL  53           HA       VAL  53  15.072   3.316   3.316
  444    HB   VAL  53           HB       VAL  53  17.371   2.478   2.478
  445   1HG1  VAL  53          1HG1      VAL  53  16.206   5.085   5.085
  446   2HG1  VAL  53          3HG1      VAL  53  17.958   4.979   4.979
  447   3HG1  VAL  53          2HG1      VAL  53  17.207   4.661   4.661
  448   1HG2  VAL  53          1HG2      VAL  53  17.088   2.371   2.371
  449   2HG2  VAL  53          3HG2      VAL  53  18.555   2.111   2.111
  450   3HG2  VAL  53          2HG2      VAL  53  18.159   3.726   3.726
  451    H    ASP  54           H        ASP  54  15.296   1.104   1.104
  452    HA   ASP  54           HA       ASP  54  14.152   2.873   2.873
  453   1HB   ASP  54          2HB       ASP  54  15.436   1.108   1.108
  454   2HB   ASP  54          1HB       ASP  54  14.826  -0.036  -0.036
  455    H    LYS  55           H        LYS  55  12.957   0.298   0.298
  456    HA   LYS  55           HA       LYS  55  10.191   0.521   0.521
  457   1HB   LYS  55          2HB       LYS  55  11.754  -0.864  -0.864
  458   2HB   LYS  55          1HB       LYS  55   9.991  -0.845  -0.845
  459   1HG   LYS  55          2HG       LYS  55  10.272  -2.744  -2.744
  460   2HG   LYS  55          1HG       LYS  55  10.227  -1.541  -1.541
  461   1HD   LYS  55          2HD       LYS  55  12.672  -1.437  -1.437
  462   2HD   LYS  55          1HD       LYS  55  12.749  -2.595  -2.595
  463   1HE   LYS  55          2HE       LYS  55  11.347  -3.249  -3.249
  464   2HE   LYS  55          1HE       LYS  55  13.070  -3.585  -3.585
  465   1HZ   LYS  55          3HZ       LYS  55  12.458  -4.749  -4.749
  466   2HZ   LYS  55          2HZ       LYS  55  10.814  -4.513  -4.513
  467   3HZ   LYS  55          1HZ       LYS  55  11.778  -5.483  -5.483
  468    H    VAL  56           H        VAL  56  11.626   1.140   1.140
  469    HA   VAL  56           HA       VAL  56   9.616   2.534   2.534
  470    HB   VAL  56           HB       VAL  56  12.610   2.850   2.850
  471   1HG1  VAL  56          2HG1      VAL  56  10.713   4.828   4.828
  472   2HG1  VAL  56          1HG1      VAL  56  11.759   4.218   4.218
  473   3HG1  VAL  56          3HG1      VAL  56  12.465   4.943   4.943
  474   1HG2  VAL  56          2HG2      VAL  56  10.621   1.959   1.959
  475   2HG2  VAL  56          1HG2      VAL  56  11.658   0.907   0.907
  476   3HG2  VAL  56          3HG2      VAL  56  12.370   2.004   2.004
  477    H    MET  57           H        MET  57  11.855   3.860   3.860
  478    HA   MET  57           HA       MET  57  10.759   6.552   6.552
  479   1HB   MET  57          2HB       MET  57  12.519   5.011   5.011
  480   2HB   MET  57          1HB       MET  57  12.120   6.713   6.713
  481   1HG   MET  57          2HG       MET  57  13.243   5.748   5.748
  482   2HG   MET  57          1HG       MET  57  14.308   6.147   6.147
  483   1HE   MET  57          3HE       MET  57  15.579   7.987   7.987
  484   2HE   MET  57          2HE       MET  57  14.978   9.345   9.345
  485   3HE   MET  57          1HE       MET  57  14.894   7.713   7.713
  486    H    GLU  58           H        GLU  58  10.203   3.695   3.695
  487    HA   GLU  58           HA       GLU  58   8.621   4.913   4.913
  488   1HB   GLU  58          2HB       GLU  58   8.171   2.713   2.713
  489   2HB   GLU  58          1HB       GLU  58   9.590   2.478   2.478
  490   1HG   GLU  58          2HG       GLU  58   8.213   0.924   0.924
  491   2HG   GLU  58          1HG       GLU  58   7.693   2.335   2.335
  492    H    THR  59           H        THR  59   7.816   4.004   4.004
  493    HA   THR  59           HA       THR  59   4.932   4.439   4.439
  494    HB   THR  59           HB       THR  59   6.299   4.189   4.189
  495    HG1  THR  59           HG1      THR  59   6.275   1.881   1.881
  496   1HG2  THR  59          3HG2      THR  59   3.771   4.368   4.368
  497   2HG2  THR  59          2HG2      THR  59   3.875   2.754   2.754
  498   3HG2  THR  59          1HG2      THR  59   4.319   3.010   3.010
  499    H    LEU  60           H        LEU  60   7.565   5.966   5.966
  500    HA   LEU  60           HA       LEU  60   6.149   8.155   8.155
  501   1HB   LEU  60          2HB       LEU  60   8.771   7.259   7.259
  502   2HB   LEU  60          1HB       LEU  60   8.825   8.793   8.793
  503    HG   LEU  60           HG       LEU  60   9.237   9.372   9.372
  504   1HD1  LEU  60          2HD1      LEU  60   7.184  10.481  10.481
  505   2HD1  LEU  60          1HD1      LEU  60   6.271   9.763   9.763
  506   3HD1  LEU  60          3HD1      LEU  60   7.557  10.921  10.921
  507   1HD2  LEU  60          3HD2      LEU  60   8.544   7.175   7.175
  508   2HD2  LEU  60          2HD2      LEU  60   7.887   8.528   8.528
  509   3HD2  LEU  60          1HD2      LEU  60   6.853   7.643   7.643
  510    H    ASP  61           H        ASP  61   7.684   7.797   7.797
  511    HA   ASP  61           HA       ASP  61   7.278  10.384  10.384
  512   1HB   ASP  61          2HB       ASP  61   8.331   8.106   8.106
  513   2HB   ASP  61          1HB       ASP  61   6.749   7.947   7.947
  514    H    SER  62           H        SER  62   5.037   7.617   7.617
  515    HA   SER  62           HA       SER  62   2.852   9.169   9.169
  516   1HB   SER  62          2HB       SER  62   1.885   6.775   6.775
  517   2HB   SER  62          1HB       SER  62   2.385   7.026   7.026
  518    HG   SER  62           HG       SER  62   3.613   5.370   5.370
  519    H    ASP  63           H        ASP  63   3.394   7.534   7.534
  520    HA   ASP  63           HA       ASP  63   2.312   7.923   7.923
  521   1HB   ASP  63          2HB       ASP  63   3.720  10.144  10.144
  522   2HB   ASP  63          1HB       ASP  63   2.293  10.782  10.782
  523    H    GLY  64           H        GLY  64   0.201   7.142   7.142
  524   1HA   GLY  64          2HA       GLY  64  -2.067   7.476   7.476
  525   2HA   GLY  64          1HA       GLY  64  -2.024   8.598   8.598
  526    H    ASP  65           H        ASP  65   0.012   9.170   9.170
  527    HA   ASP  65           HA       ASP  65   0.145  11.139  11.139
  528   1HB   ASP  65          2HB       ASP  65  -1.669  11.064  11.064
  529   2HB   ASP  65          1HB       ASP  65  -1.232   9.417   9.417
  530    H    GLY  66           H        GLY  66   0.215  13.010  13.010
  531   1HA   GLY  66          2HA       GLY  66  -0.904  15.188  15.188
  532   2HA   GLY  66          1HA       GLY  66  -2.420  14.323  14.323
  533    H    GLU  67           H        GLU  67  -2.849  13.436  13.436
  534    HA   GLU  67           HA       GLU  67  -0.932  14.218  14.218
  535   1HB   GLU  67          2HB       GLU  67  -3.042  14.622  14.622
  536   2HB   GLU  67          1HB       GLU  67  -2.870  15.682  15.682
  537   1HG   GLU  67          2HG       GLU  67  -4.347  14.226  14.226
  538   2HG   GLU  67          1HG       GLU  67  -4.475  13.106  13.106
  539    H    CYS  68           H        CYS  68  -0.563  12.620  12.620
  540    HA   CYS  68           HA       CYS  68  -1.662   9.930   9.930
  541   1HB   CYS  68          2HB       CYS  68   0.543  11.137  11.137
  542   2HB   CYS  68          1HB       CYS  68  -0.014   9.505   9.505
  543    HG   CYS  68           HG       CYS  68   0.553   8.832   8.832
  544    H    ASP  69           H        ASP  69  -3.523   9.349   9.349
  545    HA   ASP  69           HA       ASP  69  -4.489  10.782  10.782
  546   1HB   ASP  69          2HB       ASP  69  -5.653   8.442   8.442
  547   2HB   ASP  69          1HB       ASP  69  -6.517   9.536   9.536
  548    H    PHE  70           H        PHE  70  -5.626   9.295   9.295
  549    HA   PHE  70           HA       PHE  70  -4.009   8.196   8.196
  550   1HB   PHE  70          2HB       PHE  70  -6.770   7.461   7.461
  551   2HB   PHE  70          1HB       PHE  70  -6.044   6.681   6.681
  552    HD1  PHE  70           HD2      PHE  70  -4.513   8.579   8.579
  553    HD2  PHE  70           HD1      PHE  70  -8.168   9.247   9.247
  554    HE1  PHE  70           HE2      PHE  70  -4.894  10.626  10.626
  555    HE2  PHE  70           HE1      PHE  70  -8.552  11.312  11.312
  556    HZ   PHE  70           HZ       PHE  70  -6.891  11.992  11.992
  557    H    GLN  71           H        GLN  71  -5.695   5.860   5.860
  558    HA   GLN  71           HA       GLN  71  -3.940   3.711   3.711
  559   1HB   GLN  71          2HB       GLN  71  -5.145   2.584   2.584
  560   2HB   GLN  71          1HB       GLN  71  -6.238   3.471   3.471
  561   1HG   GLN  71          2HG       GLN  71  -7.018   4.437   4.437
  562   2HG   GLN  71          1HG       GLN  71  -5.539   5.396   5.396
  563   1HE2  GLN  71          2HE2      GLN  71  -5.019   4.099   4.099
  564   2HE2  GLN  71          1HE2      GLN  71  -5.499   5.463   5.463
  565    H    GLU  72           H        GLU  72  -3.204   6.378   6.378
  566    HA   GLU  72           HA       GLU  72  -1.645   4.939   4.939
  567   1HB   GLU  72          2HB       GLU  72  -1.707   7.879   7.879
  568   2HB   GLU  72          1HB       GLU  72  -1.273   7.154   7.154
  569   1HG   GLU  72          2HG       GLU  72  -3.750   6.055   6.055
  570   2HG   GLU  72          1HG       GLU  72  -3.915   7.726   7.726
  571    H    PHE  73           H        PHE  73  -0.637   7.424   7.424
  572    HA   PHE  73           HA       PHE  73   2.099   6.850   6.850
  573   1HB   PHE  73          2HB       PHE  73   2.115   8.568   8.568
  574   2HB   PHE  73          1HB       PHE  73   0.395   8.361   8.361
  575    HD1  PHE  73           HD1      PHE  73   3.110   5.944   5.944
  576    HD2  PHE  73           HD2      PHE  73   0.244   8.886   8.886
  577    HE1  PHE  73           HE1      PHE  73   3.475   5.307   5.307
  578    HE2  PHE  73           HE2      PHE  73   0.592   8.226   8.226
  579    HZ   PHE  73           HZ       PHE  73   2.214   6.445   6.445
  580    H    MET  74           H        MET  74  -0.331   5.270   5.270
  581    HA   MET  74           HA       MET  74   1.448   3.375   3.375
  582   1HB   MET  74          2HB       MET  74  -1.411   3.916   3.916
  583   2HB   MET  74          1HB       MET  74  -1.054   2.190   2.190
  584   1HG   MET  74          2HG       MET  74   0.411   3.913   3.913
  585   2HG   MET  74          1HG       MET  74  -1.330   3.793   3.793
  586   1HE   MET  74          2HE       MET  74   1.962   2.358   2.358
  587   2HE   MET  74          1HE       MET  74   1.971   0.776   0.776
  588   3HE   MET  74          3HE       MET  74   1.458   0.940   0.940
  589    H    ALA  75           H        ALA  75  -0.290   3.418   3.418
  590    HA   ALA  75           HA       ALA  75   0.033   0.668   0.668
  591   1HB   ALA  75          1HB       ALA  75  -0.421   3.303   3.303
  592   2HB   ALA  75          3HB       ALA  75  -0.212   1.835   1.835
  593   3HB   ALA  75          2HB       ALA  75  -1.543   1.956   1.956
  594    H    PHE  76           H        PHE  76   1.896   3.575   3.575
  595    HA   PHE  76           HA       PHE  76   3.935   2.005   2.005
  596   1HB   PHE  76          2HB       PHE  76   3.398   4.190   4.190
  597   2HB   PHE  76          1HB       PHE  76   3.585   4.911   4.911
  598    HD1  PHE  76           HD2      PHE  76   5.561   2.869   2.869
  599    HD2  PHE  76           HD1      PHE  76   5.582   5.997   5.997
  600    HE1  PHE  76           HE2      PHE  76   7.959   3.294   3.294
  601    HE2  PHE  76           HE1      PHE  76   7.979   6.424   6.424
  602    HZ   PHE  76           HZ       PHE  76   9.165   5.072   5.072
  603    H    VAL  77           H        VAL  77   3.774   3.852   3.852
  604    HA   VAL  77           HA       VAL  77   6.425   3.576   3.576
  605    HB   VAL  77           HB       VAL  77   4.321   4.600   4.600
  606   1HG1  VAL  77          2HG1      VAL  77   4.258   1.777   1.777
  607   2HG1  VAL  77          1HG1      VAL  77   3.383   3.142   3.142
  608   3HG1  VAL  77          3HG1      VAL  77   2.985   2.573   2.573
  609   1HG2  VAL  77          1HG2      VAL  77   6.464   3.114   3.114
  610   2HG2  VAL  77          3HG2      VAL  77   6.512   4.793   4.793
  611   3HG2  VAL  77          2HG2      VAL  77   5.384   4.303   4.303
  612    H    ALA  78           H        ALA  78   3.799   1.192   1.192
  613    HA   ALA  78           HA       ALA  78   5.457  -0.905  -0.905
  614   1HB   ALA  78          2HB       ALA  78   2.781  -0.417  -0.417
  615   2HB   ALA  78          1HB       ALA  78   3.081  -1.597  -1.597
  616   3HB   ALA  78          3HB       ALA  78   3.440  -2.004  -2.004
  617    H    MET  79           H        MET  79   4.614   0.220   0.220
  618    HA   MET  79           HA       MET  79   5.668  -2.056  -2.056
  619   1HB   MET  79          2HB       MET  79   4.085   0.086   0.086
  620   2HB   MET  79          1HB       MET  79   5.611   0.645   0.645
  621   1HG   MET  79          2HG       MET  79   5.639  -0.975  -0.975
  622   2HG   MET  79          1HG       MET  79   4.799  -2.150  -2.150
  623   1HE   MET  79          3HE       MET  79   4.783   0.077   0.077
  624   2HE   MET  79          2HE       MET  79   4.170  -1.534  -1.534
  625   3HE   MET  79          1HE       MET  79   3.147  -0.128  -0.128
  626    H    ILE  80           H        ILE  80   7.078   0.774   0.774
  627    HA   ILE  80           HA       ILE  80   9.545   0.700   0.700
  628    HB   ILE  80           HB       ILE  80   9.671   1.890   1.890
  629   1HG1  ILE  80          2HG1      ILE  80   7.562   2.796   2.796
  630   2HG1  ILE  80          1HG1      ILE  80   7.348   2.376   2.376
  631   1HG2  ILE  80          3HG2      ILE  80  11.136   2.181   2.181
  632   2HG2  ILE  80          2HG2      ILE  80   9.903   3.367   3.367
  633   3HG2  ILE  80          1HG2      ILE  80  10.834   3.567   3.567
  634   1HD1  ILE  80          3HD1      ILE  80   8.765   4.281   4.281
  635   2HD1  ILE  80          2HD1      ILE  80   8.939   4.726   4.726
  636   3HD1  ILE  80          1HD1      ILE  80   7.357   4.809   4.809
  637    H    THR  81           H        THR  81   8.870   0.062   0.062
  638    HA   THR  81           HA       THR  81  11.305  -1.217  -1.217
  639    HB   THR  81           HB       THR  81   8.459  -1.583  -1.583
  640    HG1  THR  81           HG1      THR  81   9.322   0.446   0.446
  641   1HG2  THR  81          3HG2      THR  81  10.736  -3.218  -3.218
  642   2HG2  THR  81          2HG2      THR  81  10.452  -2.263  -2.263
  643   3HG2  THR  81          1HG2      THR  81   9.165  -3.278  -3.278
  644    H    THR  82           H        THR  82   8.536  -2.385  -2.385
  645    HA   THR  82           HA       THR  82   9.282  -5.217  -5.217
  646    HB   THR  82           HB       THR  82   7.535  -5.250  -5.250
  647    HG1  THR  82           HG1      THR  82   6.823  -2.759  -2.759
  648   1HG2  THR  82          3HG2      THR  82   7.056  -5.881  -5.881
  649   2HG2  THR  82          2HG2      THR  82   6.759  -4.184  -4.184
  650   3HG2  THR  82          1HG2      THR  82   5.697  -5.036  -5.036
  651    H    ALA  83           H        ALA  83   9.603  -2.631  -2.631
  652    HA   ALA  83           HA       ALA  83  10.759  -4.233  -4.233
  653   1HB   ALA  83          1HB       ALA  83   9.775  -1.900  -1.900
  654   2HB   ALA  83          3HB       ALA  83  11.259  -1.313  -1.313
  655   3HB   ALA  83          2HB       ALA  83  11.314  -2.079  -2.079
  656    H    CYS  84           H        CYS  84  12.237  -2.379  -2.379
  657    HA   CYS  84           HA       CYS  84  14.943  -2.495  -2.495
  658   1HB   CYS  84          2HB       CYS  84  14.328  -1.486  -1.486
  659   2HB   CYS  84          1HB       CYS  84  13.294  -2.837  -2.837
  660    HG   CYS  84           HG       CYS  84  15.628  -4.204  -4.204
  661    H    HIS  85           H        HIS  85  13.179  -5.091  -5.091
  662    HA   HIS  85           HA       HIS  85  14.279  -7.264  -7.264
  663   1HB   HIS  85          2HB       HIS  85  16.163  -5.957  -5.957
  664   2HB   HIS  85          1HB       HIS  85  15.673  -7.303  -7.303
  665    HD1  HIS  85           HD1      HIS  85  15.669  -9.731  -9.731
  666    HD2  HIS  85           HD2      HIS  85  17.981  -6.692  -6.692
  667    HE1  HIS  85           HE1      HIS  85  17.300 -10.858 -10.858
  668    H    GLU  86           H        GLU  86  11.867  -7.457  -7.457
  669    HA   GLU  86           HA       GLU  86  10.222  -8.741  -8.741
  670   1HB   GLU  86          2HB       GLU  86  12.727  -9.866  -9.866
  671   2HB   GLU  86          1HB       GLU  86  11.923  -9.674  -9.674
  672   1HG   GLU  86          2HG       GLU  86  10.111 -11.038 -11.038
  673   2HG   GLU  86          1HG       GLU  86  10.455 -10.862 -10.862
  674    H    PHE  87           H        PHE  87   8.747  -7.885  -7.885
  675    HA   PHE  87           HA       PHE  87   8.836  -5.534  -5.534
  676   1HB   PHE  87          2HB       PHE  87   7.100  -7.569  -7.569
  677   2HB   PHE  87          1HB       PHE  87   7.669  -7.874  -7.874
  678    HD1  PHE  87           HD1      PHE  87   8.185  -5.051  -5.051
  679    HD2  PHE  87           HD2      PHE  87   4.897  -6.789  -6.789
  680    HE1  PHE  87           HE1      PHE  87   6.712  -3.193  -3.193
  681    HE2  PHE  87           HE2      PHE  87   3.434  -4.934  -4.934
  682    HZ   PHE  87           HZ       PHE  87   4.339  -3.136  -3.136
  683    H    PHE  88           H        PHE  88  10.334  -8.550  -8.550
  684    HA   PHE  88           HA       PHE  88  10.961  -7.419  -7.419
  685   1HB   PHE  88          2HB       PHE  88  11.843 -10.052 -10.052
  686   2HB   PHE  88          1HB       PHE  88  11.592  -9.638  -9.638
  687    HD1  PHE  88           HD2      PHE  88   9.032  -7.892  -7.892
  688    HD2  PHE  88           HD1      PHE  88  10.264 -11.959 -11.959
  689    HE1  PHE  88           HE2      PHE  88   6.633  -8.514  -8.514
  690    HE2  PHE  88           HE1      PHE  88   7.912 -12.626 -12.626
  691    HZ   PHE  88           HZ       PHE  88   6.108 -10.953 -10.953
  692    H    GLU  89           H        GLU  89  13.111  -6.976  -6.976
  693    HA   GLU  89           HA       GLU  89  15.024  -6.254  -6.254
  694   1HB   GLU  89          2HB       GLU  89  14.739  -5.873  -5.873
  695   2HB   GLU  89          1HB       GLU  89  16.266  -5.495  -5.495
  696   1HG   GLU  89          2HG       GLU  89  15.027  -4.015  -4.015
  697   2HG   GLU  89          1HG       GLU  89  13.549  -4.327  -4.327
  698    H    HIS  90           H        HIS  90  14.453  -9.172  -9.172
  699    HA   HIS  90           HA       HIS  90  17.219 -10.084 -10.084
  700   1HB   HIS  90          2HB       HIS  90  17.062 -11.259 -11.259
  701   2HB   HIS  90          1HB       HIS  90  17.028  -9.502  -9.502
  702    HD1  HIS  90           HD1      HIS  90  15.230 -12.443 -12.443
  703    HD2  HIS  90           HD2      HIS  90  14.148  -8.529  -8.529
  704    HE1  HIS  90           HE1      HIS  90  12.932 -12.074 -12.074
  705    H    GLU  91           H        GLU  91  15.228 -10.623 -10.623
  706    HA   GLU  91           HA       GLU  91  14.636 -13.509 -13.509
  707   1HB   GLU  91          2HB       GLU  91  12.761 -11.611 -11.611
  708   2HB   GLU  91          1HB       GLU  91  12.672 -11.823 -11.823
  709   1HG   GLU  91          2HG       GLU  91  11.106 -13.378 -13.378
  710   2HG   GLU  91          1HG       GLU  91  12.521 -14.340 -14.340
  711   1H    MET   0          1H        MET   0  10.046  11.979  11.979
  712   2H    MET   0          3H        MET   0   9.847  12.672  12.672
  713   3H    MET   0          2H        MET   0  11.022  11.469  11.469
  714    HA   MET   0           HA       MET   0   9.113  10.513  10.513
  715   1HB   MET   0          2HB       MET   0   7.737  12.426  12.426
  716   2HB   MET   0          1HB       MET   0   7.508  11.226  11.226
  717   1HG   MET   0          2HG       MET   0   7.051   9.890   9.890
  718   2HG   MET   0          1HG       MET   0   6.174  11.417  11.417
  719   1HE   MET   0          1HE       MET   0   7.195   8.527   8.527
  720   2HE   MET   0          3HE       MET   0   5.849   8.134   8.134
  721   3HE   MET   0          2HE       MET   0   6.904   9.496   9.496
  722    H    SER   1           H        SER   1  10.089   8.511   8.511
  723    HA   SER   1           HA       SER   1  10.320   7.433   7.433
  724   1HB   SER   1          2HB       SER   1  11.966   7.356   7.356
  725   2HB   SER   1          1HB       SER   1  11.000   5.949   5.949
  726    HG   SER   1           HG       SER   1  12.686   5.280   5.280
  727    H    GLU   2           H        GLU   2   7.962   7.456   7.456
  728    HA   GLU   2           HA       GLU   2   6.883   4.957   4.957
  729   1HB   GLU   2          2HB       GLU   2   5.931   7.692   7.692
  730   2HB   GLU   2          1HB       GLU   2   4.719   6.550   6.550
  731   1HG   GLU   2          2HG       GLU   2   4.779   5.320   5.320
  732   2HG   GLU   2          1HG       GLU   2   6.143   6.278   6.278
  733    H    LEU   3           H        LEU   3   7.063   6.742   6.742
  734    HA   LEU   3           HA       LEU   3   5.262   5.199   5.199
  735   1HB   LEU   3          2HB       LEU   3   7.812   6.736   6.736
  736   2HB   LEU   3          1HB       LEU   3   6.817   6.067   6.067
  737    HG   LEU   3           HG       LEU   3   5.314   7.602   7.602
  738   1HD1  LEU   3          1HD1      LEU   3   7.668   8.745   8.745
  739   2HD1  LEU   3          3HD1      LEU   3   6.902   9.237   9.237
  740   3HD1  LEU   3          2HD1      LEU   3   6.194   9.711   9.711
  741   1HD2  LEU   3          3HD2      LEU   3   5.467   7.305   7.305
  742   2HD2  LEU   3          2HD2      LEU   3   4.105   6.999   6.999
  743   3HD2  LEU   3          1HD2      LEU   3   4.578   8.657   8.657
  744    H    GLU   4           H        GLU   4   8.841   4.973   4.973
  745    HA   GLU   4           HA       GLU   4   8.989   2.436   2.436
  746   1HB   GLU   4          2HB       GLU   4  10.919   3.833   3.833
  747   2HB   GLU   4          1HB       GLU   4  10.795   4.029   4.029
  748   1HG   GLU   4          2HG       GLU   4  11.132   1.434   1.434
  749   2HG   GLU   4          1HG       GLU   4  11.755   1.646   1.646
  750    H    LYS   5           H        LYS   5   8.330   3.430   3.430
  751    HA   LYS   5           HA       LYS   5   8.902   0.925   0.925
  752   1HB   LYS   5          2HB       LYS   5   6.944   3.131   3.131
  753   2HB   LYS   5          1HB       LYS   5   7.760   2.025   2.025
  754   1HG   LYS   5          2HG       LYS   5   9.571   3.580   3.580
  755   2HG   LYS   5          1HG       LYS   5   8.677   4.536   4.536
  756   1HD   LYS   5          2HD       LYS   5  10.264   3.922   3.922
  757   2HD   LYS   5          1HD       LYS   5   9.495   2.336   2.336
  758   1HE   LYS   5          2HE       LYS   5  11.261   2.650   2.650
  759   2HE   LYS   5          1HE       LYS   5  12.132   2.877   2.877
  760   1HZ   LYS   5          2HZ       LYS   5  10.267   0.639   0.639
  761   2HZ   LYS   5          1HZ       LYS   5  11.962   0.520   0.520
  762   3HZ   LYS   5          3HZ       LYS   5  11.149   0.855   0.855
  763    H    ALA   6           H        ALA   6   6.069   2.375   2.375
  764    HA   ALA   6           HA       ALA   6   4.156   0.338   0.338
  765   1HB   ALA   6          2HB       ALA   6   3.953   2.702   2.702
  766   2HB   ALA   6          1HB       ALA   6   4.244   1.803   1.803
  767   3HB   ALA   6          3HB       ALA   6   2.842   1.423   1.423
  768    H    VAL   7           H        VAL   7   6.378   0.797   0.797
  769    HA   VAL   7           HA       VAL   7   5.884  -1.529  -1.529
  770    HB   VAL   7           HB       VAL   7   8.251   0.226   0.226
  771   1HG1  VAL   7          3HG1      VAL   7   8.146  -2.044  -2.044
  772   2HG1  VAL   7          2HG1      VAL   7   9.378  -0.781  -0.781
  773   3HG1  VAL   7          1HG1      VAL   7   9.238  -1.860  -1.860
  774   1HG2  VAL   7          1HG2      VAL   7   6.036   0.437   0.437
  775   2HG2  VAL   7          3HG2      VAL   7   7.379   1.564   1.564
  776   3HG2  VAL   7          2HG2      VAL   7   7.488   0.259   0.259
  777    H    VAL   8           H        VAL   8   8.429  -1.003  -1.003
  778    HA   VAL   8           HA       VAL   8   9.405  -3.562  -3.562
  779    HB   VAL   8           HB       VAL   8   8.636  -1.418  -1.418
  780   1HG1  VAL   8          3HG1      VAL   8   8.964  -3.738  -3.738
  781   2HG1  VAL   8          2HG1      VAL   8  10.625  -3.664  -3.664
  782   3HG1  VAL   8          1HG1      VAL   8  10.061  -2.500  -2.500
  783   1HG2  VAL   8          3HG2      VAL   8  10.628  -1.581  -1.581
  784   2HG2  VAL   8          2HG2      VAL   8  10.466  -0.350  -0.350
  785   3HG2  VAL   8          1HG2      VAL   8  11.455  -1.780  -1.780
  786    H    ALA   9           H        ALA   9   6.272  -2.284  -2.284
  787    HA   ALA   9           HA       ALA   9   5.469  -4.430  -4.430
  788   1HB   ALA   9          1HB       ALA   9   4.507  -1.975  -1.975
  789   2HB   ALA   9          3HB       ALA   9   3.386  -3.103  -3.103
  790   3HB   ALA   9          2HB       ALA   9   3.605  -3.124  -3.124
  791    H    LEU  10           H        LEU  10   4.318  -3.735  -3.735
  792    HA   LEU  10           HA       LEU  10   3.160  -6.255  -6.255
  793   1HB   LEU  10          2HB       LEU  10   4.778  -4.809  -4.809
  794   2HB   LEU  10          1HB       LEU  10   3.273  -5.641  -5.641
  795    HG   LEU  10           HG       LEU  10   2.368  -3.570  -3.570
  796   1HD1  LEU  10          1HD1      LEU  10   1.954  -4.787  -4.787
  797   2HD1  LEU  10          3HD1      LEU  10   2.532  -3.199  -3.199
  798   3HD1  LEU  10          2HD1      LEU  10   1.120  -3.331  -3.331
  799   1HD2  LEU  10          3HD2      LEU  10   4.869  -2.795  -2.795
  800   2HD2  LEU  10          2HD2      LEU  10   4.034  -2.030  -2.030
  801   3HD2  LEU  10          1HD2      LEU  10   3.475  -1.758  -1.758
  802    H    ILE  11           H        ILE  11   6.439  -5.088  -5.088
  803    HA   ILE  11           HA       ILE  11   7.442  -7.253  -7.253
  804    HB   ILE  11           HB       ILE  11   9.567  -6.512  -6.512
  805   1HG1  ILE  11          2HG1      ILE  11   9.905  -5.311  -5.311
  806   2HG1  ILE  11          1HG1      ILE  11   8.519  -6.306  -6.306
  807   1HG2  ILE  11          3HG2      ILE  11   7.705  -4.524  -4.524
  808   2HG2  ILE  11          2HG2      ILE  11   8.603  -4.047  -4.047
  809   3HG2  ILE  11          1HG2      ILE  11   9.450  -4.315  -4.315
  810   1HD1  ILE  11          3HD1      ILE  11  10.587  -7.740  -7.740
  811   2HD1  ILE  11          2HD1      ILE  11  11.124  -7.168  -7.168
  812   3HD1  ILE  11          1HD1      ILE  11   9.722  -8.230  -8.230
  813    H    ASP  12           H        ASP  12   6.760  -6.960  -6.960
  814    HA   ASP  12           HA       ASP  12   7.634  -9.686  -9.686
  815   1HB   ASP  12          2HB       ASP  12   7.070  -7.182  -7.182
  816   2HB   ASP  12          1HB       ASP  12   5.943  -8.365  -8.365
  817    H    VAL  13           H        VAL  13   4.596  -7.847  -7.847
  818    HA   VAL  13           HA       VAL  13   2.826 -10.045 -10.045
  819    HB   VAL  13           HB       VAL  13   2.192  -7.758  -7.758
  820   1HG1  VAL  13          1HG1      VAL  13   0.711  -9.778  -9.778
  821   2HG1  VAL  13          3HG1      VAL  13   0.368  -8.313  -8.313
  822   3HG1  VAL  13          2HG1      VAL  13   0.069  -8.353  -8.353
  823   1HG2  VAL  13          2HG2      VAL  13   3.300  -7.550  -7.550
  824   2HG2  VAL  13          1HG2      VAL  13   2.843  -6.259  -6.259
  825   3HG2  VAL  13          3HG2      VAL  13   1.642  -6.946  -6.946
  826    H    PHE  14           H        PHE  14   3.563  -8.526  -8.526
  827    HA   PHE  14           HA       PHE  14   2.411 -10.515 -10.515
  828   1HB   PHE  14          2HB       PHE  14   4.094  -8.285  -8.285
  829   2HB   PHE  14          1HB       PHE  14   5.003  -9.661  -9.661
  830    HD1  PHE  14           HD1      PHE  14   3.750 -11.346 -11.346
  831    HD2  PHE  14           HD2      PHE  14   2.316  -7.394  -7.394
  832    HE1  PHE  14           HE1      PHE  14   2.195 -11.458 -11.458
  833    HE2  PHE  14           HE2      PHE  14   0.768  -7.500  -7.500
  834    HZ   PHE  14           HZ       PHE  14   0.711  -9.540  -9.540
  835    H    HIS  15           H        HIS  15   5.624 -10.535 -10.535
  836    HA   HIS  15           HA       HIS  15   6.690 -12.898 -12.898
  837   1HB   HIS  15          2HB       HIS  15   7.795 -11.415 -11.415
  838   2HB   HIS  15          1HB       HIS  15   6.664 -11.956 -11.956
  839    HD1  HIS  15           HD1      HIS  15   9.978 -12.570 -12.570
  840    HD2  HIS  15           HD2      HIS  15   6.798 -15.096 -15.096
  841    HE1  HIS  15           HE1      HIS  15  10.995 -14.813 -14.813
  842    H    GLN  16           H        GLN  16   4.321 -12.555 -12.555
  843    HA   GLN  16           HA       GLN  16   3.998 -15.440 -15.440
  844   1HB   GLN  16          2HB       GLN  16   3.583 -14.048 -14.048
  845   2HB   GLN  16          1HB       GLN  16   2.554 -12.958 -12.958
  846   1HG   GLN  16          2HG       GLN  16   0.945 -14.871 -14.871
  847   2HG   GLN  16          1HG       GLN  16   1.933 -15.804 -15.804
  848   1HE2  GLN  16          2HE2      GLN  16  -0.583 -12.962 -12.962
  849   2HE2  GLN  16          1HE2      GLN  16  -0.454 -13.260 -13.260
  850    H    TYR  17           H        TYR  17   1.421 -13.108 -13.108
  851    HA   TYR  17           HA       TYR  17  -0.518 -14.633 -14.633
  852   1HB   TYR  17          2HB       TYR  17   0.637 -11.955 -11.955
  853   2HB   TYR  17          1HB       TYR  17  -0.695 -12.593 -12.593
  854    HD1  TYR  17           HD1      TYR  17   0.351 -11.729 -11.729
  855    HD2  TYR  17           HD2      TYR  17  -2.919 -12.618 -12.618
  856    HE1  TYR  17           HE1      TYR  17  -1.263 -11.041 -11.041
  857    HE2  TYR  17           HE2      TYR  17  -4.532 -11.943 -11.943
  858    HH   TYR  17           HH       TYR  17  -3.423 -10.996 -10.996
  859    H    SER  18           H        SER  18   2.346 -13.509 -13.509
  860    HA   SER  18           HA       SER  18   1.567 -15.173 -15.173
  861   1HB   SER  18          2HB       SER  18   3.176 -13.882 -13.882
  862   2HB   SER  18          1HB       SER  18   2.563 -12.764 -12.764
  863    HG   SER  18           HG       SER  18   4.366 -13.675 -13.675
  864    H    GLY  19           H        GLY  19   3.536 -15.511 -15.511
  865   1HA   GLY  19          2HA       GLY  19   4.626 -18.031 -18.031
  866   2HA   GLY  19          1HA       GLY  19   5.778 -16.864 -16.864
  867    H    ARG  20           H        ARG  20   2.566 -17.802 -17.802
  868    HA   ARG  20           HA       ARG  20   3.978 -18.639 -18.639
  869   1HB   ARG  20          2HB       ARG  20   1.989 -17.850 -17.850
  870   2HB   ARG  20          1HB       ARG  20   2.538 -16.576 -16.576
  871   1HG   ARG  20          2HG       ARG  20   0.843 -17.094 -17.094
  872   2HG   ARG  20          1HG       ARG  20   0.441 -18.606 -18.606
  873   1HD   ARG  20          2HD       ARG  20   0.107 -16.717 -16.717
  874   2HD   ARG  20          1HD       ARG  20  -0.519 -15.896 -15.896
  875    HE   ARG  20           HE       ARG  20  -1.544 -18.460 -18.460
  876   1HH1  ARG  20          2HH1      ARG  20  -2.259 -15.550 -15.550
  877   2HH1  ARG  20          1HH1      ARG  20  -3.462 -16.187 -16.187
  878   1HH2  ARG  20          1HH2      ARG  20  -2.785 -19.497 -19.497
  879   2HH2  ARG  20          2HH2      ARG  20  -3.759 -18.423 -18.423
  880    H    GLU  21           H        GLU  21   1.891 -19.591 -19.591
  881    HA   GLU  21           HA       GLU  21   1.126 -22.087 -22.087
  882   1HB   GLU  21          2HB       GLU  21  -0.800 -20.799 -20.799
  883   2HB   GLU  21          1HB       GLU  21  -0.149 -20.504 -20.504
  884   1HG   GLU  21          2HG       GLU  21  -0.434 -22.798 -22.798
  885   2HG   GLU  21          1HG       GLU  21  -0.774 -23.280 -23.280
  886    H    GLY  22           H        GLY  22   1.201 -21.308 -21.308
  887   1HA   GLY  22          2HA       GLY  22   3.377 -23.286 -23.286
  888   2HA   GLY  22          1HA       GLY  22   1.843 -23.568 -23.568
  889    H    ASP  23           H        ASP  23   1.146 -20.971 -20.971
  890    HA   ASP  23           HA       ASP  23   2.386 -20.540 -20.540
  891   1HB   ASP  23          2HB       ASP  23   1.269 -18.522 -18.522
  892   2HB   ASP  23          1HB       ASP  23   1.509 -18.214 -18.214
  893    H    LYS  24           H        LYS  24   4.174 -19.308 -19.308
  894    HA   LYS  24           HA       LYS  24   6.421 -19.075 -19.075
  895   1HB   LYS  24          2HB       LYS  24   5.793 -18.905 -18.905
  896   2HB   LYS  24          1HB       LYS  24   6.931 -17.644 -17.644
  897   1HG   LYS  24          2HG       LYS  24   7.257 -20.582 -20.582
  898   2HG   LYS  24          1HG       LYS  24   8.066 -19.768 -19.768
  899   1HD   LYS  24          2HD       LYS  24   9.146 -18.217 -18.217
  900   2HD   LYS  24          1HD       LYS  24   8.331 -19.015 -19.015
  901   1HE   LYS  24          2HE       LYS  24   9.471 -21.147 -21.147
  902   2HE   LYS  24          1HE       LYS  24  10.330 -20.307 -20.307
  903   1HZ   LYS  24          1HZ       LYS  24  10.398 -18.920 -18.920
  904   2HZ   LYS  24          3HZ       LYS  24  11.173 -20.428 -20.428
  905   3HZ   LYS  24          2HZ       LYS  24  11.661 -19.258 -19.258
  906    H    HIS  25           H        HIS  25   5.356 -16.437 -16.437
  907    HA   HIS  25           HA       HIS  25   5.153 -14.633 -14.633
  908   1HB   HIS  25          2HB       HIS  25   7.056 -14.554 -14.554
  909   2HB   HIS  25          1HB       HIS  25   6.541 -13.038 -13.038
  910    HD1  HIS  25           HD1      HIS  25   9.276 -15.147 -15.147
  911    HD2  HIS  25           HD2      HIS  25   6.677 -13.646 -13.646
  912    HE1  HIS  25           HE1      HIS  25  10.493 -15.325 -15.325
  913    H    LYS  26           H        LYS  26   2.879 -15.361 -15.361
  914    HA   LYS  26           HA       LYS  26   1.966 -12.939 -12.939
  915   1HB   LYS  26          2HB       LYS  26   1.910 -15.768 -15.768
  916   2HB   LYS  26          1HB       LYS  26   0.785 -14.539 -14.539
  917   1HG   LYS  26          2HG       LYS  26   2.460 -14.108 -14.108
  918   2HG   LYS  26          1HG       LYS  26   3.108 -13.155 -13.155
  919   1HD   LYS  26          2HD       LYS  26   4.056 -15.629 -15.629
  920   2HD   LYS  26          1HD       LYS  26   4.061 -15.718 -15.718
  921   1HE   LYS  26          2HE       LYS  26   5.105 -13.200 -13.200
  922   2HE   LYS  26          1HE       LYS  26   5.796 -14.151 -14.151
  923   1HZ   LYS  26          3HZ       LYS  26   6.008 -15.904 -15.904
  924   2HZ   LYS  26          2HZ       LYS  26   6.116 -14.487 -14.487
  925   3HZ   LYS  26          1HZ       LYS  26   7.227 -14.771 -14.771
  926    H    LEU  27           H        LEU  27  -0.620 -13.355 -13.355
  927    HA   LEU  27           HA       LEU  27  -1.614 -14.800 -14.800
  928   1HB   LEU  27          2HB       LEU  27  -1.870 -11.928 -11.928
  929   2HB   LEU  27          1HB       LEU  27  -3.183 -12.673 -12.673
  930    HG   LEU  27           HG       LEU  27  -0.453 -13.211 -13.211
  931   1HD1  LEU  27          2HD1      LEU  27  -0.928 -10.617 -10.617
  932   2HD1  LEU  27          1HD1      LEU  27  -1.525 -10.618 -10.618
  933   3HD1  LEU  27          3HD1      LEU  27   0.140 -11.091 -11.091
  934   1HD2  LEU  27          3HD2      LEU  27  -3.215 -13.086 -13.086
  935   2HD2  LEU  27          2HD2      LEU  27  -1.836 -13.913 -13.913
  936   3HD2  LEU  27          1HD2      LEU  27  -2.133 -12.212 -12.212
  937    H    LYS  28           H        LYS  28  -4.192 -14.645 -14.645
  938    HA   LYS  28           HA       LYS  28  -5.111 -15.043 -15.043
  939   1HB   LYS  28          2HB       LYS  28  -4.323 -17.150 -17.150
  940   2HB   LYS  28          1HB       LYS  28  -5.812 -16.936 -16.936
  941   1HG   LYS  28          2HG       LYS  28  -7.037 -16.875 -16.875
  942   2HG   LYS  28          1HG       LYS  28  -5.532 -17.426 -17.426
  943   1HD   LYS  28          2HD       LYS  28  -6.628 -18.907 -18.907
  944   2HD   LYS  28          1HD       LYS  28  -7.332 -19.188 -19.188
  945   1HE   LYS  28          2HE       LYS  28  -4.939 -19.572 -19.572
  946   2HE   LYS  28          1HE       LYS  28  -4.466 -19.644 -19.644
  947   1HZ   LYS  28          2HZ       LYS  28  -6.800 -21.170 -21.170
  948   2HZ   LYS  28          1HZ       LYS  28  -5.239 -21.802 -21.802
  949   3HZ   LYS  28          3HZ       LYS  28  -5.800 -21.466 -21.466
  950    H    LYS  29           H        LYS  29  -7.488 -14.965 -14.965
  951    HA   LYS  29           HA       LYS  29  -8.785 -12.854 -12.854
  952   1HB   LYS  29          2HB       LYS  29  -9.933 -15.527 -15.527
  953   2HB   LYS  29          1HB       LYS  29 -10.851 -14.030 -14.030
  954   1HG   LYS  29          2HG       LYS  29 -10.022 -13.154 -13.154
  955   2HG   LYS  29          1HG       LYS  29  -8.412 -13.821 -13.821
  956   1HD   LYS  29          2HD       LYS  29  -9.307 -16.077 -16.077
  957   2HD   LYS  29          1HD       LYS  29 -10.841 -15.309 -15.309
  958   1HE   LYS  29          2HE       LYS  29  -9.933 -14.180 -14.180
  959   2HE   LYS  29          1HE       LYS  29  -8.277 -14.284 -14.284
  960   1HZ   LYS  29          1HZ       LYS  29  -9.922 -16.626 -16.626
  961   2HZ   LYS  29          3HZ       LYS  29  -8.734 -15.919 -15.919
  962   3HZ   LYS  29          2HZ       LYS  29  -8.296 -16.647 -16.647
  963    H    SER  30           H        SER  30  -8.148 -16.025 -16.025
  964    HA   SER  30           HA       SER  30 -10.083 -15.708 -15.708
  965   1HB   SER  30          2HB       SER  30  -9.851 -17.938 -17.938
  966   2HB   SER  30          1HB       SER  30  -8.211 -17.736 -17.736
  967    HG   SER  30           HG       SER  30  -9.013 -18.565 -18.565
  968    H    GLU  31           H        GLU  31  -6.498 -15.898 -15.898
  969    HA   GLU  31           HA       GLU  31  -5.941 -15.338 -15.338
  970   1HB   GLU  31          2HB       GLU  31  -4.365 -14.558 -14.558
  971   2HB   GLU  31          1HB       GLU  31  -3.714 -14.738 -14.738
  972   1HG   GLU  31          2HG       GLU  31  -4.260 -17.111 -17.111
  973   2HG   GLU  31          1HG       GLU  31  -5.046 -16.973 -16.973
  974    H    LEU  32           H        LEU  32  -6.794 -13.265 -13.265
  975    HA   LEU  32           HA       LEU  32  -6.091 -10.726 -10.726
  976   1HB   LEU  32          2HB       LEU  32  -7.175 -11.740 -11.740
  977   2HB   LEU  32          1HB       LEU  32  -8.529 -10.850 -10.850
  978    HG   LEU  32           HG       LEU  32  -7.270  -9.322  -9.322
  979   1HD1  LEU  32          3HD1      LEU  32  -6.887  -8.968  -8.968
  980   2HD1  LEU  32          2HD1      LEU  32  -6.391  -7.727  -7.727
  981   3HD1  LEU  32          1HD1      LEU  32  -8.084  -8.206  -8.206
  982   1HD2  LEU  32          3HD2      LEU  32  -5.071 -10.870 -10.870
  983   2HD2  LEU  32          2HD2      LEU  32  -5.034  -9.464  -9.464
  984   3HD2  LEU  32          1HD2      LEU  32  -4.783  -9.262  -9.262
  985    H    LYS  33           H        LYS  33  -9.219 -12.485 -12.485
  986    HA   LYS  33           HA       LYS  33 -10.807 -10.778 -10.778
  987   1HB   LYS  33          2HB       LYS  33 -10.688 -13.569 -13.569
  988   2HB   LYS  33          1HB       LYS  33 -11.321 -13.421 -13.421
  989   1HG   LYS  33          2HG       LYS  33 -12.383 -11.467 -11.467
  990   2HG   LYS  33          1HG       LYS  33 -12.859 -13.146 -13.146
  991   1HD   LYS  33          2HD       LYS  33 -13.795 -13.317 -13.317
  992   2HD   LYS  33          1HD       LYS  33 -13.088 -11.777 -11.777
  993   1HE   LYS  33          2HE       LYS  33 -14.558 -10.540 -10.540
  994   2HE   LYS  33          1HE       LYS  33 -15.120 -12.028 -12.028
  995   1HZ   LYS  33          1HZ       LYS  33 -15.412 -11.416 -11.416
  996   2HZ   LYS  33          3HZ       LYS  33 -16.655 -11.280 -11.280
  997   3HZ   LYS  33          2HZ       LYS  33 -15.986 -12.803 -12.803
  998    H    GLU  34           H        GLU  34  -8.927 -13.533 -13.533
  999    HA   GLU  34           HA       GLU  34  -9.226 -12.966 -12.966
 1000   1HB   GLU  34          2HB       GLU  34  -7.791 -14.706 -14.706
 1001   2HB   GLU  34          1HB       GLU  34  -6.498 -13.702 -13.702
 1002   1HG   GLU  34          2HG       GLU  34  -6.854 -14.426 -14.426
 1003   2HG   GLU  34          1HG       GLU  34  -8.595 -14.594 -14.594
 1004    H    LEU  35           H        LEU  35  -6.505 -11.874 -11.874
 1005    HA   LEU  35           HA       LEU  35  -5.123 -10.199 -10.199
 1006   1HB   LEU  35          2HB       LEU  35  -4.974 -10.743 -10.743
 1007   2HB   LEU  35          1HB       LEU  35  -5.932  -9.274  -9.274
 1008    HG   LEU  35           HG       LEU  35  -3.769  -8.828  -8.828
 1009   1HD1  LEU  35          3HD1      LEU  35  -3.149 -10.515 -10.515
 1010   2HD1  LEU  35          2HD1      LEU  35  -2.323  -8.965  -8.965
 1011   3HD1  LEU  35          1HD1      LEU  35  -2.080  -9.954  -9.954
 1012   1HD2  LEU  35          2HD2      LEU  35  -5.157  -7.186  -7.186
 1013   2HD2  LEU  35          1HD2      LEU  35  -3.417  -6.906  -6.906
 1014   3HD2  LEU  35          3HD2      LEU  35  -4.191  -7.680  -7.680
 1015    H    ILE  36           H        ILE  36  -8.243  -9.504  -9.504
 1016    HA   ILE  36           HA       ILE  36  -8.372  -6.773  -6.773
 1017    HB   ILE  36           HB       ILE  36 -10.111  -8.661  -8.661
 1018   1HG1  ILE  36          2HG1      ILE  36 -10.061  -6.457  -6.457
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.680  -6.053  -6.053
 1020   1HG2  ILE  36          3HG2      ILE  36 -10.977  -6.304  -6.304
 1021   2HG2  ILE  36          2HG2      ILE  36 -11.600  -6.416  -6.416
 1022   3HG2  ILE  36          1HG2      ILE  36 -11.897  -7.723  -7.723
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.619  -8.210  -8.210
 1024   2HD1  ILE  36          2HD1      ILE  36  -8.982  -8.562  -8.562
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.916  -7.202  -7.202
 1026    H    ASN  37           H        ASN  37 -10.177  -9.817  -9.817
 1027    HA   ASN  37           HA       ASN  37 -11.673  -8.810  -8.810
 1028   1HB   ASN  37          2HB       ASN  37 -10.839 -11.660 -11.660
 1029   2HB   ASN  37          1HB       ASN  37 -12.342 -11.057 -11.057
 1030   1HD2  ASN  37          2HD2      ASN  37 -13.169  -9.749  -9.749
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.732  -8.953  -8.953
 1032    H    ASN  38           H        ASN  38  -8.397  -9.862  -9.862
 1033    HA   ASN  38           HA       ASN  38  -8.050 -10.425 -10.425
 1034   1HB   ASN  38          2HB       ASN  38  -6.501 -10.636 -10.636
 1035   2HB   ASN  38          1HB       ASN  38  -5.583 -10.520 -10.520
 1036   1HD2  ASN  38          2HD2      ASN  38  -7.893 -13.851 -13.851
 1037   2HD2  ASN  38          1HD2      ASN  38  -8.194 -12.436 -12.436
 1038    H    GLU  39           H        GLU  39  -8.073  -7.702  -7.702
 1039    HA   GLU  39           HA       GLU  39  -6.287  -6.168  -6.168
 1040   1HB   GLU  39          2HB       GLU  39  -5.756  -4.806  -4.806
 1041   2HB   GLU  39          1HB       GLU  39  -5.470  -6.502  -6.502
 1042   1HG   GLU  39          2HG       GLU  39  -7.675  -6.621  -6.621
 1043   2HG   GLU  39          1HG       GLU  39  -7.942  -4.920  -4.920
 1044    H    LEU  40           H        LEU  40  -9.209  -5.986  -5.986
 1045    HA   LEU  40           HA       LEU  40 -10.097  -3.628  -3.628
 1046   1HB   LEU  40          2HB       LEU  40 -10.819  -4.551  -4.551
 1047   2HB   LEU  40          1HB       LEU  40 -11.420  -3.083  -3.083
 1048    HG   LEU  40           HG       LEU  40  -8.504  -3.312  -3.312
 1049   1HD1  LEU  40          2HD1      LEU  40  -9.504  -4.292  -4.292
 1050   2HD1  LEU  40          1HD1      LEU  40  -9.394  -2.574  -2.574
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.957  -3.458  -3.458
 1052   1HD2  LEU  40          3HD2      LEU  40 -10.550  -1.269  -1.269
 1053   2HD2  LEU  40          2HD2      LEU  40  -9.509  -1.232  -1.232
 1054   3HD2  LEU  40          1HD2      LEU  40  -8.820  -0.982  -0.982
 1055    H    SER  41           H        SER  41 -10.764  -5.582  -5.582
 1056    HA   SER  41           HA       SER  41 -12.769  -7.433  -7.433
 1057   1HB   SER  41          2HB       SER  41 -13.140  -7.312  -7.312
 1058   2HB   SER  41          1HB       SER  41 -11.497  -6.705  -6.705
 1059    HG   SER  41           HG       SER  41 -12.153  -4.816  -4.816
 1060    H    HIS  42           H        HIS  42 -13.062  -3.928  -3.928
 1061    HA   HIS  42           HA       HIS  42 -15.880  -3.666  -3.666
 1062   1HB   HIS  42          2HB       HIS  42 -13.790  -2.074  -2.074
 1063   2HB   HIS  42          1HB       HIS  42 -15.434  -1.501  -1.501
 1064    HD1  HIS  42           HD1      HIS  42 -14.311   0.448   0.448
 1065    HD2  HIS  42           HD2      HIS  42 -13.904  -3.402  -3.402
 1066    HE1  HIS  42           HE1      HIS  42 -13.621   0.717   0.717
 1067    H    PHE  43           H        PHE  43 -13.862  -4.133  -4.133
 1068    HA   PHE  43           HA       PHE  43 -16.047  -4.079  -4.079
 1069   1HB   PHE  43          2HB       PHE  43 -13.225  -5.143  -5.143
 1070   2HB   PHE  43          1HB       PHE  43 -14.257  -5.397  -5.397
 1071    HD1  PHE  43           HD2      PHE  43 -15.429  -2.373  -2.373
 1072    HD2  PHE  43           HD1      PHE  43 -11.981  -4.035  -4.035
 1073    HE1  PHE  43           HE2      PHE  43 -14.800  -0.124  -0.124
 1074    HE2  PHE  43           HE1      PHE  43 -11.358  -1.782  -1.782
 1075    HZ   PHE  43           HZ       PHE  43 -12.767   0.167   0.167
 1076    H    LEU  44           H        LEU  44 -14.963  -6.458  -6.458
 1077    HA   LEU  44           HA       LEU  44 -15.592  -8.918  -8.918
 1078   1HB   LEU  44          2HB       LEU  44 -14.862  -8.176  -8.176
 1079   2HB   LEU  44          1HB       LEU  44 -16.595  -8.160  -8.160
 1080    HG   LEU  44           HG       LEU  44 -16.771 -10.497 -10.497
 1081   1HD1  LEU  44          1HD1      LEU  44 -14.218  -9.871  -9.871
 1082   2HD1  LEU  44          3HD1      LEU  44 -14.036 -11.261 -11.261
 1083   3HD1  LEU  44          2HD1      LEU  44 -15.213 -11.310 -11.310
 1084   1HD2  LEU  44          3HD2      LEU  44 -14.566  -9.935  -9.935
 1085   2HD2  LEU  44          2HD2      LEU  44 -16.281 -10.150 -10.150
 1086   3HD2  LEU  44          1HD2      LEU  44 -15.316 -11.517 -11.517
 1087    H    GLU  45           H        GLU  45 -17.654  -6.382  -6.382
 1088    HA   GLU  45           HA       GLU  45 -20.157  -7.810  -7.810
 1089   1HB   GLU  45          2HB       GLU  45 -19.195  -5.735  -5.735
 1090   2HB   GLU  45          1HB       GLU  45 -20.474  -5.056  -5.056
 1091   1HG   GLU  45          2HG       GLU  45 -20.790  -7.697  -7.697
 1092   2HG   GLU  45          1HG       GLU  45 -21.242  -6.160  -6.160
 1093    H    GLU  46           H        GLU  46 -18.005  -5.350  -5.350
 1094    HA   GLU  46           HA       GLU  46 -17.887  -4.273  -4.273
 1095   1HB   GLU  46          2HB       GLU  46 -18.779  -6.741  -6.741
 1096   2HB   GLU  46          1HB       GLU  46 -20.253  -5.884  -5.884
 1097   1HG   GLU  46          2HG       GLU  46 -19.333  -5.482  -5.482
 1098   2HG   GLU  46          1HG       GLU  46 -18.133  -4.468  -4.468
 1099    H    ILE  47           H        ILE  47 -21.343  -4.952  -4.952
 1100    HA   ILE  47           HA       ILE  47 -22.727  -2.887  -2.887
 1101    HB   ILE  47           HB       ILE  47 -23.409  -4.676  -4.676
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.962  -2.939  -2.939
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.344  -3.382  -3.382
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.497  -2.449  -2.449
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.480  -3.823  -3.823
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.843  -4.083  -4.083
 1107   1HD1  ILE  47          3HD1      ILE  47 -23.603  -1.357  -1.357
 1108   2HD1  ILE  47          2HD1      ILE  47 -24.291  -0.827  -0.827
 1109   3HD1  ILE  47          1HD1      ILE  47 -25.343  -1.114  -1.114
 1110    H    LYS  48           H        LYS  48 -20.429  -2.605  -2.605
 1111    HA   LYS  48           HA       LYS  48 -20.868  -0.063  -0.063
 1112   1HB   LYS  48          2HB       LYS  48 -18.190  -1.206  -1.206
 1113   2HB   LYS  48          1HB       LYS  48 -18.456  -0.051  -0.051
 1114   1HG   LYS  48          2HG       LYS  48 -19.215  -2.972  -2.972
 1115   2HG   LYS  48          1HG       LYS  48 -18.235  -2.135  -2.135
 1116   1HD   LYS  48          2HD       LYS  48 -20.233  -0.858  -0.858
 1117   2HD   LYS  48          1HD       LYS  48 -21.210  -1.742  -1.742
 1118   1HE   LYS  48          2HE       LYS  48 -21.563  -3.227  -3.227
 1119   2HE   LYS  48          1HE       LYS  48 -19.905  -3.775  -3.775
 1120   1HZ   LYS  48          3HZ       LYS  48 -20.457  -1.410  -1.410
 1121   2HZ   LYS  48          2HZ       LYS  48 -20.416  -2.973  -2.973
 1122   3HZ   LYS  48          1HZ       LYS  48 -19.036  -2.331  -2.331
 1123    H    GLU  49           H        GLU  49 -19.865  -0.970  -0.970
 1124    HA   GLU  49           HA       GLU  49 -19.962   1.887   1.887
 1125   1HB   GLU  49          2HB       GLU  49 -17.836   1.354   1.354
 1126   2HB   GLU  49          1HB       GLU  49 -17.634   1.469   1.469
 1127   1HG   GLU  49          2HG       GLU  49 -17.490  -0.861  -0.861
 1128   2HG   GLU  49          1HG       GLU  49 -18.249  -1.183  -1.183
 1129    H    GLN  50           H        GLN  50 -22.036   1.112   1.112
 1130    HA   GLN  50           HA       GLN  50 -22.417  -1.055  -1.055
 1131   1HB   GLN  50          2HB       GLN  50 -23.632   1.561   1.561
 1132   2HB   GLN  50          1HB       GLN  50 -23.990   0.963   0.963
 1133   1HG   GLN  50          2HG       GLN  50 -24.369  -0.632  -0.632
 1134   2HG   GLN  50          1HG       GLN  50 -25.661   0.191   0.191
 1135   1HE2  GLN  50          2HE2      GLN  50 -25.151  -2.078  -2.078
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.126  -0.399  -0.399
 1137    H    GLU  51           H        GLU  51 -22.320   2.220   2.220
 1138    HA   GLU  51           HA       GLU  51 -21.725   1.701   1.701
 1139   1HB   GLU  51          2HB       GLU  51 -22.020   3.931   3.931
 1140   2HB   GLU  51          1HB       GLU  51 -20.433   3.808   3.808
 1141   1HG   GLU  51          2HG       GLU  51 -19.777   3.238   3.238
 1142   2HG   GLU  51          1HG       GLU  51 -21.127   4.346   4.346
 1143    H    VAL  52           H        VAL  52 -19.400   1.479   1.479
 1144    HA   VAL  52           HA       VAL  52 -17.095   1.077   1.077
 1145    HB   VAL  52           HB       VAL  52 -17.482   0.352   0.352
 1146   1HG1  VAL  52          1HG1      VAL  52 -15.212   0.471   0.471
 1147   2HG1  VAL  52          3HG1      VAL  52 -14.929   1.326   1.326
 1148   3HG1  VAL  52          2HG1      VAL  52 -15.358  -0.385  -0.385
 1149   1HG2  VAL  52          3HG2      VAL  52 -16.721   2.995   2.995
 1150   2HG2  VAL  52          2HG2      VAL  52 -18.185   2.671   2.671
 1151   3HG2  VAL  52          1HG2      VAL  52 -16.612   2.656   2.656
 1152    H    VAL  53           H        VAL  53 -19.261  -1.019  -1.019
 1153    HA   VAL  53           HA       VAL  53 -18.071  -3.529  -3.529
 1154    HB   VAL  53           HB       VAL  53 -21.003  -2.734  -2.734
 1155   1HG1  VAL  53          1HG1      VAL  53 -19.580  -5.323  -5.323
 1156   2HG1  VAL  53          3HG1      VAL  53 -20.929  -5.188  -5.188
 1157   3HG1  VAL  53          2HG1      VAL  53 -21.194  -4.943  -4.943
 1158   1HG2  VAL  53          1HG2      VAL  53 -19.171  -2.518  -2.518
 1159   2HG2  VAL  53          3HG2      VAL  53 -20.917  -2.275  -2.275
 1160   3HG2  VAL  53          2HG2      VAL  53 -20.242  -3.871  -3.871
 1161    H    ASP  54           H        ASP  54 -19.803  -1.424  -1.424
 1162    HA   ASP  54           HA       ASP  54 -19.972  -3.287  -3.287
 1163   1HB   ASP  54          2HB       ASP  54 -21.534  -1.544  -1.544
 1164   2HB   ASP  54          1HB       ASP  54 -20.369  -0.360  -0.360
 1165    H    LYS  55           H        LYS  55 -17.800  -0.645  -0.645
 1166    HA   LYS  55           HA       LYS  55 -16.024  -0.936  -0.936
 1167   1HB   LYS  55          2HB       LYS  55 -16.109   0.554   0.554
 1168   2HB   LYS  55          1HB       LYS  55 -14.605   0.514   0.514
 1169   1HG   LYS  55          2HG       LYS  55 -15.577   2.364   2.364
 1170   2HG   LYS  55          1HG       LYS  55 -16.258   1.110   1.110
 1171   1HD   LYS  55          2HD       LYS  55 -18.285   1.046   1.046
 1172   2HD   LYS  55          1HD       LYS  55 -17.606   2.260   2.260
 1173   1HE   LYS  55          2HE       LYS  55 -17.934   2.783   2.783
 1174   2HE   LYS  55          1HE       LYS  55 -19.213   3.151   3.151
 1175   1HZ   LYS  55          3HZ       LYS  55 -17.557   4.392   4.392
 1176   2HZ   LYS  55          2HZ       LYS  55 -16.405   4.124   4.124
 1177   3HZ   LYS  55          1HZ       LYS  55 -17.784   5.062   5.062
 1178    H    VAL  56           H        VAL  56 -15.382  -1.408  -1.408
 1179    HA   VAL  56           HA       VAL  56 -12.998  -2.776  -2.776
 1180    HB   VAL  56           HB       VAL  56 -15.516  -3.056  -3.056
 1181   1HG1  VAL  56          2HG1      VAL  56 -13.360  -5.017  -5.017
 1182   2HG1  VAL  56          1HG1      VAL  56 -13.510  -4.346  -4.346
 1183   3HG1  VAL  56          3HG1      VAL  56 -14.898  -5.119  -5.119
 1184   1HG2  VAL  56          2HG2      VAL  56 -12.690  -2.110  -2.110
 1185   2HG2  VAL  56          1HG2      VAL  56 -14.101  -1.083  -1.083
 1186   3HG2  VAL  56          3HG2      VAL  56 -14.005  -2.120  -2.120
 1187    H    MET  57           H        MET  57 -16.212  -4.170  -4.170
 1188    HA   MET  57           HA       MET  57 -15.207  -6.871  -6.871
 1189   1HB   MET  57          2HB       MET  57 -17.762  -5.382  -5.382
 1190   2HB   MET  57          1HB       MET  57 -17.548  -7.097  -7.097
 1191   1HG   MET  57          2HG       MET  57 -17.002  -6.016  -6.016
 1192   2HG   MET  57          1HG       MET  57 -18.639  -6.450  -6.450
 1193   1HE   MET  57          3HE       MET  57 -19.173  -8.240  -8.240
 1194   2HE   MET  57          2HE       MET  57 -18.118  -9.562  -9.562
 1195   3HE   MET  57          1HE       MET  57 -17.699  -7.902  -7.902
 1196    H    GLU  58           H        GLU  58 -15.937  -4.106  -4.106
 1197    HA   GLU  58           HA       GLU  58 -15.757  -5.425  -5.425
 1198   1HB   GLU  58          2HB       GLU  58 -15.758  -3.254  -3.254
 1199   2HB   GLU  58          1HB       GLU  58 -16.357  -2.963  -2.963
 1200   1HG   GLU  58          2HG       GLU  58 -14.684  -1.387  -1.387
 1201   2HG   GLU  58          1HG       GLU  58 -13.720  -2.769  -2.769
 1202    H    THR  59           H        THR  59 -13.239  -4.390  -4.390
 1203    HA   THR  59           HA       THR  59 -11.087  -4.877  -4.877
 1204    HB   THR  59           HB       THR  59 -10.710  -4.500  -4.500
 1205    HG1  THR  59           HG1      THR  59 -10.965  -2.212  -2.212
 1206   1HG2  THR  59          3HG2      THR  59  -8.842  -4.728  -4.728
 1207   2HG2  THR  59          2HG2      THR  59  -9.349  -3.145  -3.145
 1208   3HG2  THR  59          1HG2      THR  59  -8.757  -3.321  -3.321
 1209    H    LEU  60           H        LEU  60 -12.164  -6.291  -6.291
 1210    HA   LEU  60           HA       LEU  60 -10.370  -8.452  -8.452
 1211   1HB   LEU  60          2HB       LEU  60 -12.642  -7.534  -7.534
 1212   2HB   LEU  60          1HB       LEU  60 -13.158  -9.100  -9.100
 1213    HG   LEU  60           HG       LEU  60 -12.215  -9.583  -9.583
 1214   1HD1  LEU  60          2HD1      LEU  60 -11.245 -10.775 -10.775
 1215   2HD1  LEU  60          1HD1      LEU  60  -9.747 -10.017 -10.017
 1216   3HD1  LEU  60          3HD1      LEU  60 -10.601 -11.140 -11.140
 1217   1HD2  LEU  60          3HD2      LEU  60 -11.132  -7.364  -7.364
 1218   2HD2  LEU  60          2HD2      LEU  60 -10.053  -8.689  -8.689
 1219   3HD2  LEU  60          1HD2      LEU  60  -9.847  -7.861  -7.861
 1220    H    ASP  61           H        ASP  61 -13.448  -8.202  -8.202
 1221    HA   ASP  61           HA       ASP  61 -13.675 -10.835 -10.835
 1222   1HB   ASP  61          2HB       ASP  61 -15.080  -8.583  -8.583
 1223   2HB   ASP  61          1HB       ASP  61 -14.206  -8.476  -8.476
 1224    H    SER  62           H        SER  62 -11.776  -8.100  -8.100
 1225    HA   SER  62           HA       SER  62 -10.648  -9.728  -9.728
 1226   1HB   SER  62          2HB       SER  62  -9.261  -7.300  -7.300
 1227   2HB   SER  62          1HB       SER  62 -10.614  -7.616  -7.616
 1228    HG   SER  62           HG       SER  62 -11.201  -5.914  -5.914
 1229    H    ASP  63           H        ASP  63  -9.336  -7.962  -7.962
 1230    HA   ASP  63           HA       ASP  63  -7.256  -8.275  -8.275
 1231   1HB   ASP  63          2HB       ASP  63  -9.003 -10.515 -10.515
 1232   2HB   ASP  63          1HB       ASP  63  -7.358 -11.143 -11.143
 1233    H    GLY  64           H        GLY  64  -6.156  -7.567  -7.567
 1234   1HA   GLY  64          2HA       GLY  64  -4.605  -7.953  -7.953
 1235   2HA   GLY  64          1HA       GLY  64  -3.857  -9.018  -9.018
 1236    H    ASP  65           H        ASP  65  -7.089  -9.672  -9.672
 1237    HA   ASP  65           HA       ASP  65  -7.921 -11.691 -11.691
 1238   1HB   ASP  65          2HB       ASP  65  -7.347 -11.709 -11.709
 1239   2HB   ASP  65          1HB       ASP  65  -7.473 -10.038 -10.038
 1240    H    GLY  66           H        GLY  66  -7.240 -13.510 -13.510
 1241   1HA   GLY  66          2HA       GLY  66  -6.157 -15.689 -15.689
 1242   2HA   GLY  66          1HA       GLY  66  -4.772 -14.832 -14.832
 1243    H    GLU  67           H        GLU  67  -3.263 -13.873 -13.873
 1244    HA   GLU  67           HA       GLU  67  -3.627 -14.545 -14.545
 1245   1HB   GLU  67          2HB       GLU  67  -1.150 -14.918 -14.918
 1246   2HB   GLU  67          1HB       GLU  67  -2.066 -16.036 -16.036
 1247   1HG   GLU  67          2HG       GLU  67  -1.612 -14.657 -14.657
 1248   2HG   GLU  67          1HG       GLU  67  -0.752 -13.481 -13.481
 1249    H    CYS  68           H        CYS  68  -3.072 -12.878 -12.878
 1250    HA   CYS  68           HA       CYS  68  -2.506 -10.228 -10.228
 1251   1HB   CYS  68          2HB       CYS  68  -3.391 -11.332 -11.332
 1252   2HB   CYS  68          1HB       CYS  68  -2.739  -9.694  -9.694
 1253    HG   CYS  68           HG       CYS  68  -4.628  -9.127  -9.127
 1254    H    ASP  69           H        ASP  69  -0.422  -9.632  -9.632
 1255    HA   ASP  69           HA       ASP  69   1.736 -10.979 -10.979
 1256   1HB   ASP  69          2HB       ASP  69   1.795  -8.717  -8.717
 1257   2HB   ASP  69          1HB       ASP  69   3.136  -9.772  -9.772
 1258    H    PHE  70           H        PHE  70   3.580  -9.443  -9.443
 1259    HA   PHE  70           HA       PHE  70   3.272  -8.249  -8.249
 1260   1HB   PHE  70          2HB       PHE  70   5.033  -7.584  -7.584
 1261   2HB   PHE  70          1HB       PHE  70   5.219  -6.740  -6.740
 1262    HD1  PHE  70           HD2      PHE  70   4.746  -8.559  -8.559
 1263    HD2  PHE  70           HD1      PHE  70   6.564  -9.366  -9.366
 1264    HE1  PHE  70           HE2      PHE  70   5.812 -10.556 -10.556
 1265    HE2  PHE  70           HE1      PHE  70   7.652 -11.379 -11.379
 1266    HZ   PHE  70           HZ       PHE  70   7.257 -11.964 -11.964
 1267    H    GLN  71           H        GLN  71   3.436  -6.020  -6.020
 1268    HA   GLN  71           HA       GLN  71   2.365  -3.821  -3.821
 1269   1HB   GLN  71          2HB       GLN  71   2.294  -2.790  -2.790
 1270   2HB   GLN  71          1HB       GLN  71   3.808  -3.646  -3.646
 1271   1HG   GLN  71          2HG       GLN  71   3.393  -4.703  -4.703
 1272   2HG   GLN  71          1HG       GLN  71   2.211  -5.634  -5.634
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.078  -4.460  -4.460
 1274   2HE2  GLN  71          1HE2      GLN  71   0.836  -5.794  -5.794
 1275    H    GLU  72           H        GLU  72   0.710  -6.559  -6.559
 1276    HA   GLU  72           HA       GLU  72  -1.742  -5.179  -5.179
 1277   1HB   GLU  72          2HB       GLU  72  -1.265  -8.092  -8.092
 1278   2HB   GLU  72          1HB       GLU  72  -2.506  -7.418  -7.418
 1279   1HG   GLU  72          2HG       GLU  72  -0.151  -6.338  -6.338
 1280   2HG   GLU  72          1HG       GLU  72   0.302  -7.987  -7.987
 1281    H    PHE  73           H        PHE  73  -1.143  -7.548  -7.548
 1282    HA   PHE  73           HA       PHE  73  -3.569  -6.956  -6.956
 1283   1HB   PHE  73          2HB       PHE  73  -2.733  -8.615  -8.615
 1284   2HB   PHE  73          1HB       PHE  73  -1.170  -8.422  -8.422
 1285    HD1  PHE  73           HD1      PHE  73  -2.857  -5.940  -5.940
 1286    HD2  PHE  73           HD2      PHE  73   0.254  -8.851  -8.851
 1287    HE1  PHE  73           HE1      PHE  73  -1.842  -5.205  -5.205
 1288    HE2  PHE  73           HE2      PHE  73   1.288  -8.093  -8.093
 1289    HZ   PHE  73           HZ       PHE  73   0.232  -6.277  -6.277
 1290    H    MET  74           H        MET  74  -0.421  -5.321  -5.321
 1291    HA   MET  74           HA       MET  74  -1.224  -3.359  -3.359
 1292   1HB   MET  74          2HB       MET  74   0.961  -3.948  -3.948
 1293   2HB   MET  74          1HB       MET  74   0.704  -2.214  -2.214
 1294   1HG   MET  74          2HG       MET  74   0.591  -3.838  -3.838
 1295   2HG   MET  74          1HG       MET  74   2.178  -3.729  -3.729
 1296   1HE   MET  74          2HE       MET  74  -0.744  -2.274  -2.274
 1297   2HE   MET  74          1HE       MET  74  -0.339  -0.665  -0.665
 1298   3HE   MET  74          3HE       MET  74  -0.867  -0.898  -0.898
 1299    H    ALA  75           H        ALA  75  -1.513  -3.550  -3.550
 1300    HA   ALA  75           HA       ALA  75  -2.228  -0.830  -0.830
 1301   1HB   ALA  75          1HB       ALA  75  -2.609  -3.526  -3.526
 1302   2HB   ALA  75          3HB       ALA  75  -3.324  -2.092  -2.092
 1303   3HB   ALA  75          2HB       ALA  75  -1.577  -2.195  -2.195
 1304    H    PHE  76           H        PHE  76  -4.256  -3.744  -3.744
 1305    HA   PHE  76           HA       PHE  76  -6.715  -2.202  -2.202
 1306   1HB   PHE  76          2HB       PHE  76  -6.708  -4.428  -4.428
 1307   2HB   PHE  76          1HB       PHE  76  -5.955  -5.077  -5.077
 1308    HD1  PHE  76           HD2      PHE  76  -8.997  -3.111  -3.111
 1309    HD2  PHE  76           HD1      PHE  76  -7.320  -6.120  -6.120
 1310    HE1  PHE  76           HE2      PHE  76 -11.237  -3.525  -3.525
 1311    HE2  PHE  76           HE1      PHE  76  -9.559  -6.534  -6.534
 1312    HZ   PHE  76           HZ       PHE  76 -11.517  -5.237  -5.237
 1313    H    VAL  77           H        VAL  77  -4.833  -3.931  -3.931
 1314    HA   VAL  77           HA       VAL  77  -6.533  -3.585  -3.585
 1315    HB   VAL  77           HB       VAL  77  -4.141  -4.589  -4.589
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.501  -1.728  -1.728
 1317   2HG1  VAL  77          1HG1      VAL  77  -2.372  -3.077  -3.077
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.977  -2.561  -2.561
 1319   1HG2  VAL  77          1HG2      VAL  77  -5.063  -3.011  -3.011
 1320   2HG2  VAL  77          3HG2      VAL  77  -5.386  -4.711  -4.711
 1321   3HG2  VAL  77          2HG2      VAL  77  -3.747  -4.185  -4.185
 1322    H    ALA  78           H        ALA  78  -4.292  -1.230  -1.230
 1323    HA   ALA  78           HA       ALA  78  -5.038   0.936   0.936
 1324   1HB   ALA  78          2HB       ALA  78  -3.031   0.398   0.398
 1325   2HB   ALA  78          1HB       ALA  78  -4.017   1.529   1.529
 1326   3HB   ALA  78          3HB       ALA  78  -3.366   2.008   2.008
 1327    H    MET  79           H        MET  79  -6.153  -0.332  -0.332
 1328    HA   MET  79           HA       MET  79  -7.873   1.898   1.898
 1329   1HB   MET  79          2HB       MET  79  -6.849  -0.287  -0.287
 1330   2HB   MET  79          1HB       MET  79  -8.489  -0.852  -0.852
 1331   1HG   MET  79          2HG       MET  79  -9.449   0.705   0.705
 1332   2HG   MET  79          1HG       MET  79  -8.194   1.905   1.905
 1333   1HE   MET  79          3HE       MET  79  -9.744  -0.442  -0.442
 1334   2HE   MET  79          2HE       MET  79  -9.470   1.149   1.149
 1335   3HE   MET  79          1HE       MET  79  -8.760  -0.275  -0.275
 1336    H    ILE  80           H        ILE  80  -8.182  -0.859  -0.859
 1337    HA   ILE  80           HA       ILE  80 -11.117  -0.815  -0.815
 1338    HB   ILE  80           HB       ILE  80  -9.677  -1.886  -1.886
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.046  -2.905  -2.905
 1340   2HG1  ILE  80          1HG1      ILE  80  -7.915  -2.420  -2.420
 1341   1HG2  ILE  80          3HG2      ILE  80 -12.106  -2.250  -2.250
 1342   2HG2  ILE  80          2HG2      ILE  80 -11.320  -3.470  -3.470
 1343   3HG2  ILE  80          1HG2      ILE  80 -11.246  -3.592  -3.592
 1344   1HD1  ILE  80          3HD1      ILE  80  -8.692  -4.275  -4.275
 1345   2HD1  ILE  80          2HD1      ILE  80  -9.793  -4.785  -4.785
 1346   3HD1  ILE  80          1HD1      ILE  80  -8.049  -4.864  -4.864
 1347    H    THR  81           H        THR  81  -8.625  -0.051  -0.051
 1348    HA   THR  81           HA       THR  81 -10.287   1.292   1.292
 1349    HB   THR  81           HB       THR  81  -7.386   1.666   1.666
 1350    HG1  THR  81           HG1      THR  81  -7.861  -0.340  -0.340
 1351   1HG2  THR  81          3HG2      THR  81  -9.007   3.341   3.341
 1352   2HG2  THR  81          2HG2      THR  81  -7.938   2.439   2.439
 1353   3HG2  THR  81          1HG2      THR  81  -7.257   3.415   3.415
 1354    H    THR  82           H        THR  82  -9.028   2.345   2.345
 1355    HA   THR  82           HA       THR  82  -9.546   5.195   5.195
 1356    HB   THR  82           HB       THR  82  -9.239   5.108   5.108
 1357    HG1  THR  82           HG1      THR  82  -8.046   2.651   2.651
 1358   1HG2  THR  82          3HG2      THR  82  -7.489   5.817   5.817
 1359   2HG2  THR  82          2HG2      THR  82  -7.038   4.129   4.129
 1360   3HG2  THR  82          1HG2      THR  82  -6.809   4.886   4.886
 1361    H    ALA  83           H        ALA  83 -11.161   2.526   2.526
 1362    HA   ALA  83           HA       ALA  83 -13.316   4.053   4.053
 1363   1HB   ALA  83          1HB       ALA  83 -12.528   1.710   1.710
 1364   2HB   ALA  83          3HB       ALA  83 -13.320   1.167   1.167
 1365   3HB   ALA  83          2HB       ALA  83 -14.275   1.872   1.872
 1366    H    CYS  84           H        CYS  84 -12.985   2.323   2.323
 1367    HA   CYS  84           HA       CYS  84 -15.543   2.446   2.446
 1368   1HB   CYS  84          2HB       CYS  84 -13.878   1.511   1.511
 1369   2HB   CYS  84          1HB       CYS  84 -12.772   2.867   2.867
 1370    HG   CYS  84           HG       CYS  84 -14.518   4.275   4.275
 1371    H    HIS  85           H        HIS  85 -13.151   5.089   5.089
 1372    HA   HIS  85           HA       HIS  85 -14.923   7.213   7.213
 1373   1HB   HIS  85          2HB       HIS  85 -15.589   5.998   5.998
 1374   2HB   HIS  85          1HB       HIS  85 -14.620   7.377   7.377
 1375    HD1  HIS  85           HD1      HIS  85 -15.387   9.757   9.757
 1376    HD2  HIS  85           HD2      HIS  85 -18.198   6.678   6.678
 1377    HE1  HIS  85           HE1      HIS  85 -17.639  10.838  10.838
 1378    H    GLU  86           H        GLU  86 -12.619   7.398   7.398
 1379    HA   GLU  86           HA       GLU  86 -10.647   8.716   8.716
 1380   1HB   GLU  86          2HB       GLU  86 -12.389   9.891   9.891
 1381   2HB   GLU  86          1HB       GLU  86 -10.847   9.754   9.754
 1382   1HG   GLU  86          2HG       GLU  86  -9.715  11.069  11.069
 1383   2HG   GLU  86          1HG       GLU  86 -10.963  10.825  10.825
 1384    H    PHE  87           H        PHE  87  -8.617   7.895   7.895
 1385    HA   PHE  87           HA       PHE  87  -7.880   5.607   5.607
 1386   1HB   PHE  87          2HB       PHE  87  -6.577   7.612   7.612
 1387   2HB   PHE  87          1HB       PHE  87  -6.134   7.989   7.989
 1388    HD1  PHE  87           HD1      PHE  87  -6.009   5.218   5.218
 1389    HD2  PHE  87           HD2      PHE  87  -4.522   6.813   6.813
 1390    HE1  PHE  87           HE1      PHE  87  -4.360   3.370   3.370
 1391    HE2  PHE  87           HE2      PHE  87  -2.887   4.969   4.969
 1392    HZ   PHE  87           HZ       PHE  87  -2.805   3.245   3.245
 1393    H    PHE  88           H        PHE  88  -8.553   8.678   8.678
 1394    HA   PHE  88           HA       PHE  88  -7.581   7.663   7.663
 1395   1HB   PHE  88          2HB       PHE  88  -9.004  10.252  10.252
 1396   2HB   PHE  88          1HB       PHE  88  -7.843   9.909   9.909
 1397    HD1  PHE  88           HD2      PHE  88  -6.160   8.101   8.101
 1398    HD2  PHE  88           HD1      PHE  88  -7.568  12.148  12.148
 1399    HE1  PHE  88           HE2      PHE  88  -4.310   8.689   8.689
 1400    HE2  PHE  88           HE1      PHE  88  -5.757  12.780  12.780
 1401    HZ   PHE  88           HZ       PHE  88  -4.147  11.097  11.097
 1402    H    GLU  89           H        GLU  89  -8.943   7.275   7.275
 1403    HA   GLU  89           HA       GLU  89 -11.708   6.486   6.486
 1404   1HB   GLU  89          2HB       GLU  89  -9.785   6.224   6.224
 1405   2HB   GLU  89          1HB       GLU  89 -11.490   5.832   5.832
 1406   1HG   GLU  89          2HG       GLU  89 -11.349   4.279   4.279
 1407   2HG   GLU  89          1HG       GLU  89  -9.619   4.605   4.605
 1408    H    HIS  90           H        HIS  90 -10.864   9.423   9.423
 1409    HA   HIS  90           HA       HIS  90 -13.198  10.369  10.369
 1410   1HB   HIS  90          2HB       HIS  90 -11.836  11.627  11.627
 1411   2HB   HIS  90          1HB       HIS  90 -11.698   9.877   9.877
 1412    HD1  HIS  90           HD1      HIS  90  -9.662  12.836  12.836
 1413    HD2  HIS  90           HD2      HIS  90  -9.255   8.877   8.877
 1414    HE1  HIS  90           HE1      HIS  90  -7.196  12.481  12.481
 1415    H    GLU  91           H        GLU  91 -12.574  10.811  10.811
 1416    HA   GLU  91           HA       GLU  91 -11.818  13.708  13.708
 1417   1HB   GLU  91          2HB       GLU  91 -10.109  11.795  11.795
 1418   2HB   GLU  91          1HB       GLU  91 -11.030  11.946  11.946
 1419   1HG   GLU  91          2HG       GLU  91  -9.237  13.510  13.510
 1420   2HG   GLU  91          1HG       GLU  91 -10.663  14.472  14.472

  Start of MODEL   10
    1   1H    MET   0          3H        MET   0   0.123  -8.791  -8.791
    2   2H    MET   0          2H        MET   0   0.843  -9.581  -9.581
    3   3H    MET   0          1H        MET   0   0.246 -10.485 -10.485
    4    HA   MET   0           HA       MET   0  -1.941 -10.246 -10.246
    5   1HB   MET   0          2HB       MET   0  -0.120 -11.180 -11.180
    6   2HB   MET   0          1HB       MET   0  -0.800  -9.873  -9.873
    7   1HG   MET   0          2HG       MET   0  -3.105 -10.829 -10.829
    8   2HG   MET   0          1HG       MET   0  -2.210 -12.272 -12.272
    9   1HE   MET   0          2HE       MET   0  -3.589 -10.041 -10.041
   10   2HE   MET   0          1HE       MET   0  -4.510 -11.532 -11.532
   11   3HE   MET   0          3HE       MET   0  -3.723 -11.156 -11.156
   12    H    SER   1           H        SER   1  -2.429  -8.925  -8.925
   13    HA   SER   1           HA       SER   1  -3.808  -6.644  -6.644
   14   1HB   SER   1          2HB       SER   1  -3.018  -5.871  -5.871
   15   2HB   SER   1          1HB       SER   1  -3.911  -7.382  -7.382
   16    HG   SER   1           HG       SER   1  -1.846  -7.363  -7.363
   17    H    GLU   2           H        GLU   2  -0.290  -6.941  -6.941
   18    HA   GLU   2           HA       GLU   2   0.602  -4.318  -4.318
   19   1HB   GLU   2          2HB       GLU   2   1.444  -6.729  -6.729
   20   2HB   GLU   2          1HB       GLU   2   2.349  -5.222  -5.222
   21   1HG   GLU   2          2HG       GLU   2   1.718  -6.505  -6.505
   22   2HG   GLU   2          1HG       GLU   2   3.183  -6.883  -6.883
   23    H    LEU   3           H        LEU   3  -1.171  -5.854  -5.854
   24    HA   LEU   3           HA       LEU   3  -0.634  -3.953  -3.953
   25   1HB   LEU   3          2HB       LEU   3  -1.909  -6.381  -6.381
   26   2HB   LEU   3          1HB       LEU   3  -3.252  -5.285  -5.285
   27    HG   LEU   3           HG       LEU   3  -0.866  -5.030  -5.030
   28   1HD1  LEU   3          3HD1      LEU   3  -1.451  -7.540  -7.540
   29   2HD1  LEU   3          2HD1      LEU   3  -2.904  -7.184  -7.184
   30   3HD1  LEU   3          1HD1      LEU   3  -1.313  -6.964  -6.964
   31   1HD2  LEU   3          3HD2      LEU   3  -3.277  -3.844  -3.844
   32   2HD2  LEU   3          2HD2      LEU   3  -2.420  -4.161  -4.161
   33   3HD2  LEU   3          1HD2      LEU   3  -3.695  -5.255  -5.255
   34    H    GLU   4           H        GLU   4  -3.743  -4.456  -4.456
   35    HA   GLU   4           HA       GLU   4  -4.911  -1.969  -1.969
   36   1HB   GLU   4          2HB       GLU   4  -6.280  -2.514  -2.514
   37   2HB   GLU   4          1HB       GLU   4  -6.290  -3.704  -3.704
   38   1HG   GLU   4          2HG       GLU   4  -4.920  -5.183  -5.183
   39   2HG   GLU   4          1HG       GLU   4  -4.191  -3.905  -3.905
   40    H    LYS   5           H        LYS   5  -2.740  -2.828  -2.828
   41    HA   LYS   5           HA       LYS   5  -3.066  -0.298  -0.298
   42   1HB   LYS   5          2HB       LYS   5  -0.752  -2.252  -2.252
   43   2HB   LYS   5          1HB       LYS   5  -1.413  -1.257  -1.257
   44   1HG   LYS   5          2HG       LYS   5  -3.497  -2.971  -2.971
   45   2HG   LYS   5          1HG       LYS   5  -2.098  -3.935  -3.935
   46   1HD   LYS   5          2HD       LYS   5  -2.748  -3.750  -3.750
   47   2HD   LYS   5          1HD       LYS   5  -2.428  -2.018  -2.018
   48   1HE   LYS   5          2HE       LYS   5  -4.756  -1.723  -1.723
   49   2HE   LYS   5          1HE       LYS   5  -5.053  -3.430  -3.430
   50   1HZ   LYS   5          2HZ       LYS   5  -4.023  -1.467  -1.467
   51   2HZ   LYS   5          1HZ       LYS   5  -5.672  -1.847  -1.847
   52   3HZ   LYS   5          3HZ       LYS   5  -4.565  -3.048  -3.048
   53    H    ALA   6           H        ALA   6  -0.513  -1.706  -1.706
   54    HA   ALA   6           HA       ALA   6   1.086   0.690   0.690
   55   1HB   ALA   6          2HB       ALA   6   0.709  -1.627  -1.627
   56   2HB   ALA   6          1HB       ALA   6   2.038  -0.469  -0.469
   57   3HB   ALA   6          3HB       ALA   6   1.888  -1.561  -1.561
   58    H    VAL   7           H        VAL   7  -1.818  -0.434  -0.434
   59    HA   VAL   7           HA       VAL   7  -1.928   1.273   1.273
   60    HB   VAL   7           HB       VAL   7  -3.550  -0.563  -0.563
   61   1HG1  VAL   7          2HG1      VAL   7  -4.800   1.971   1.971
   62   2HG1  VAL   7          1HG1      VAL   7  -5.702   0.469   0.469
   63   3HG1  VAL   7          3HG1      VAL   7  -5.175   0.987   0.987
   64   1HG2  VAL   7          3HG2      VAL   7  -2.780  -0.056  -0.056
   65   2HG2  VAL   7          2HG2      VAL   7  -3.440  -1.531  -1.531
   66   3HG2  VAL   7          1HG2      VAL   7  -4.527  -0.289  -0.289
   67    H    VAL   8           H        VAL   8  -3.569   1.579   1.579
   68    HA   VAL   8           HA       VAL   8  -4.541   4.200   4.200
   69    HB   VAL   8           HB       VAL   8  -3.748   2.296   2.296
   70   1HG1  VAL   8          3HG1      VAL   8  -4.034   5.266   5.266
   71   2HG1  VAL   8          2HG1      VAL   8  -4.246   4.039   4.039
   72   3HG1  VAL   8          1HG1      VAL   8  -2.687   4.218   4.218
   73   1HG2  VAL   8          2HG2      VAL   8  -6.152   3.977   3.977
   74   2HG2  VAL   8          1HG2      VAL   8  -6.001   2.219   2.219
   75   3HG2  VAL   8          3HG2      VAL   8  -6.059   3.093   3.093
   76    H    ALA   9           H        ALA   9  -1.278   3.048   3.048
   77    HA   ALA   9           HA       ALA   9  -0.175   5.602   5.602
   78   1HB   ALA   9          1HB       ALA   9   0.680   3.077   3.077
   79   2HB   ALA   9          3HB       ALA   9   1.422   3.499   3.499
   80   3HB   ALA   9          2HB       ALA   9   1.830   4.411   4.411
   81    H    LEU  10           H        LEU  10  -0.577   3.916   3.916
   82    HA   LEU  10           HA       LEU  10   0.866   5.847   5.847
   83   1HB   LEU  10          2HB       LEU  10  -1.175   3.689   3.689
   84   2HB   LEU  10          1HB       LEU  10  -0.687   4.762   4.762
   85    HG   LEU  10           HG       LEU  10   1.704   3.934   3.934
   86   1HD1  LEU  10          3HD1      LEU  10  -0.381   1.955   1.955
   87   2HD1  LEU  10          2HD1      LEU  10   0.867   1.368   1.368
   88   3HD1  LEU  10          1HD1      LEU  10   1.290   1.860   1.860
   89   1HD2  LEU  10          1HD2      LEU  10   0.501   4.047   4.047
   90   2HD2  LEU  10          3HD2      LEU  10   2.212   3.868   3.868
   91   3HD2  LEU  10          2HD2      LEU  10   1.197   2.438   2.438
   92    H    ILE  11           H        ILE  11  -2.696   5.415   5.415
   93    HA   ILE  11           HA       ILE  11  -3.560   7.617   7.617
   94    HB   ILE  11           HB       ILE  11  -5.547   7.590   7.590
   95   1HG1  ILE  11          2HG1      ILE  11  -4.264   5.960   5.960
   96   2HG1  ILE  11          1HG1      ILE  11  -4.120   7.715   7.715
   97   1HG2  ILE  11          3HG2      ILE  11  -4.233   5.169   5.169
   98   2HG2  ILE  11          2HG2      ILE  11  -5.183   4.864   4.864
   99   3HG2  ILE  11          1HG2      ILE  11  -5.963   5.515   5.515
  100   1HD1  ILE  11          2HD1      ILE  11  -6.832   7.022   7.022
  101   2HD1  ILE  11          1HD1      ILE  11  -6.332   6.131   6.131
  102   3HD1  ILE  11          3HD1      ILE  11  -6.219   7.892   7.892
  103    H    ASP  12           H        ASP  12  -2.051   7.553   7.553
  104    HA   ASP  12           HA       ASP  12  -2.427  10.328  10.328
  105   1HB   ASP  12          2HB       ASP  12  -1.015   7.997   7.997
  106   2HB   ASP  12          1HB       ASP  12   0.117   9.350   9.350
  107    H    VAL  13           H        VAL  13  -0.057   8.480   8.480
  108    HA   VAL  13           HA       VAL  13   1.646  10.697  10.697
  109    HB   VAL  13           HB       VAL  13   1.134   8.029   8.029
  110   1HG1  VAL  13          1HG1      VAL  13   3.120  10.212  10.212
  111   2HG1  VAL  13          3HG1      VAL  13   3.774   8.574   8.574
  112   3HG1  VAL  13          2HG1      VAL  13   2.553   9.051   9.051
  113   1HG2  VAL  13          1HG2      VAL  13   2.058   8.554   8.554
  114   2HG2  VAL  13          3HG2      VAL  13   2.157   7.025   7.025
  115   3HG2  VAL  13          2HG2      VAL  13   3.496   8.173   8.173
  116    H    PHE  14           H        PHE  14  -0.863   8.869   8.869
  117    HA   PHE  14           HA       PHE  14  -0.925  10.417  10.417
  118   1HB   PHE  14          2HB       PHE  14  -2.664   8.545   8.545
  119   2HB   PHE  14          1HB       PHE  14  -3.639   9.968   9.968
  120    HD1  PHE  14           HD2      PHE  14  -3.037  11.091  11.091
  121    HD2  PHE  14           HD1      PHE  14  -2.408   6.976   6.976
  122    HE1  PHE  14           HE2      PHE  14  -2.949  10.507  10.507
  123    HE2  PHE  14           HE1      PHE  14  -2.307   6.392   6.392
  124    HZ   PHE  14           HZ       PHE  14  -2.584   8.155   8.155
  125    H    HIS  15           H        HIS  15  -2.809  10.999  10.999
  126    HA   HIS  15           HA       HIS  15  -4.086  13.387  13.387
  127   1HB   HIS  15          2HB       HIS  15  -3.968  12.011  12.011
  128   2HB   HIS  15          1HB       HIS  15  -2.422  12.789  12.789
  129    HD1  HIS  15           HD1      HIS  15  -6.099  13.401  13.401
  130    HD2  HIS  15           HD2      HIS  15  -2.612  15.588  15.588
  131    HE1  HIS  15           HE1      HIS  15  -6.813  15.590  15.590
  132    H    GLN  16           H        GLN  16  -0.679  13.046  13.046
  133    HA   GLN  16           HA       GLN  16  -0.048  15.855  15.855
  134   1HB   GLN  16          2HB       GLN  16   1.331  14.517  14.517
  135   2HB   GLN  16          1HB       GLN  16   1.544  13.283  13.283
  136   1HG   GLN  16          2HG       GLN  16   2.749  15.006  15.006
  137   2HG   GLN  16          1HG       GLN  16   2.671  16.096  16.096
  138   1HE2  GLN  16          2HE2      GLN  16   4.847  12.665  12.665
  139   2HE2  GLN  16          1HE2      GLN  16   3.349  12.556  12.556
  140    H    TYR  17           H        TYR  17   1.377  13.170  13.170
  141    HA   TYR  17           HA       TYR  17   2.395  14.336  14.336
  142   1HB   TYR  17          2HB       TYR  17   0.795  11.849  11.849
  143   2HB   TYR  17          1HB       TYR  17   1.264  12.225  12.225
  144    HD1  TYR  17           HD1      TYR  17   2.536  11.608  11.608
  145    HD2  TYR  17           HD2      TYR  17   3.542  12.066  12.066
  146    HE1  TYR  17           HE1      TYR  17   4.836  10.809  10.809
  147    HE2  TYR  17           HE2      TYR  17   5.839  11.289  11.289
  148    HH   TYR  17           HH       TYR  17   6.908  10.633  10.633
  149    H    SER  18           H        SER  18  -1.096  13.816  13.816
  150    HA   SER  18           HA       SER  18  -1.723  15.148  15.148
  151   1HB   SER  18          2HB       SER  18  -3.801  14.148  14.148
  152   2HB   SER  18          1HB       SER  18  -2.794  13.045  13.045
  153    HG   SER  18           HG       SER  18  -4.601  15.014  15.014
  154    H    GLY  19           H        GLY  19  -2.577  15.635  15.635
  155   1HA   GLY  19          2HA       GLY  19  -3.571  18.334  18.334
  156   2HA   GLY  19          1HA       GLY  19  -3.770  17.520  17.520
  157    H    ARG  20           H        ARG  20  -0.743  16.940  16.940
  158    HA   ARG  20           HA       ARG  20   0.154  18.880  18.880
  159   1HB   ARG  20          2HB       ARG  20   2.373  18.203  18.203
  160   2HB   ARG  20          1HB       ARG  20   1.348  16.805  16.805
  161   1HG   ARG  20          2HG       ARG  20   1.191  17.511  17.511
  162   2HG   ARG  20          1HG       ARG  20   2.333  18.805  18.805
  163   1HD   ARG  20          2HD       ARG  20   3.903  16.954  16.954
  164   2HD   ARG  20          1HD       ARG  20   2.827  15.823  15.823
  165    HE   ARG  20           HE       ARG  20   3.275  17.122  17.122
  166   1HH1  ARG  20          1HH2      ARG  20   4.411  19.618  19.618
  167   2HH1  ARG  20          2HH2      ARG  20   6.122  19.365  19.365
  168   1HH2  ARG  20          2HH1      ARG  20   5.876  15.906  15.906
  169   2HH2  ARG  20          1HH1      ARG  20   6.952  17.262  17.262
  170    H    GLU  21           H        GLU  21   0.283  19.148  19.148
  171    HA   GLU  21           HA       GLU  21   0.023  22.046  22.046
  172   1HB   GLU  21          2HB       GLU  21   2.630  20.730  20.730
  173   2HB   GLU  21          1HB       GLU  21   2.511  21.886  21.886
  174   1HG   GLU  21          2HG       GLU  21   1.284  23.129  23.129
  175   2HG   GLU  21          1HG       GLU  21   2.771  22.406  22.406
  176    H    GLY  22           H        GLY  22  -0.721  19.397  19.397
  177   1HA   GLY  22          2HA       GLY  22  -0.310  20.543  20.543
  178   2HA   GLY  22          1HA       GLY  22  -0.351  18.807  18.807
  179    H    ASP  23           H        ASP  23  -2.156  18.363  18.363
  180    HA   ASP  23           HA       ASP  23  -4.615  19.867  19.867
  181   1HB   ASP  23          2HB       ASP  23  -3.511  17.352  17.352
  182   2HB   ASP  23          1HB       ASP  23  -5.259  17.348  17.348
  183    H    LYS  24           H        LYS  24  -6.556  17.834  17.834
  184    HA   LYS  24           HA       LYS  24  -6.846  17.850  17.850
  185   1HB   LYS  24          2HB       LYS  24  -8.356  16.785  16.785
  186   2HB   LYS  24          1HB       LYS  24  -8.872  16.372  16.372
  187   1HG   LYS  24          2HG       LYS  24  -9.474  18.543  18.543
  188   2HG   LYS  24          1HG       LYS  24  -8.309  19.244  19.244
  189   1HD   LYS  24          2HD       LYS  24  -9.948  17.859  17.859
  190   2HD   LYS  24          1HD       LYS  24 -11.090  18.386  18.386
  191   1HE   LYS  24          2HE       LYS  24  -9.694  20.688  20.688
  192   2HE   LYS  24          1HE       LYS  24  -9.562  20.009  20.009
  193   1HZ   LYS  24          1HZ       LYS  24 -12.140  19.841  19.841
  194   2HZ   LYS  24          3HZ       LYS  24 -11.690  21.337  21.337
  195   3HZ   LYS  24          2HZ       LYS  24 -11.813  19.970  19.970
  196    H    HIS  25           H        HIS  25  -7.693  14.900  14.900
  197    HA   HIS  25           HA       HIS  25  -5.677  13.435  13.435
  198   1HB   HIS  25          2HB       HIS  25  -8.219  12.340  12.340
  199   2HB   HIS  25          1HB       HIS  25  -7.307  11.700  11.700
  200    HD1  HIS  25           HD1      HIS  25 -10.410  12.938  12.938
  201    HD2  HIS  25           HD2      HIS  25  -7.112  14.485  14.485
  202    HE1  HIS  25           HE1      HIS  25 -11.327  14.476  14.476
  203    H    LYS  26           H        LYS  26  -4.491  14.309  14.309
  204    HA   LYS  26           HA       LYS  26  -4.214  11.900  11.900
  205   1HB   LYS  26          2HB       LYS  26  -5.016  14.676  14.676
  206   2HB   LYS  26          1HB       LYS  26  -4.324  13.490  13.490
  207   1HG   LYS  26          2HG       LYS  26  -6.468  12.806  12.806
  208   2HG   LYS  26          1HG       LYS  26  -6.256  12.008  12.008
  209   1HD   LYS  26          2HD       LYS  26  -6.858  14.595  14.595
  210   2HD   LYS  26          1HD       LYS  26  -7.870  14.360  14.360
  211   1HE   LYS  26          2HE       LYS  26  -7.962  11.989  11.989
  212   2HE   LYS  26          1HE       LYS  26  -8.398  13.421  13.421
  213   1HZ   LYS  26          3HZ       LYS  26  -9.436  13.031  13.031
  214   2HZ   LYS  26          2HZ       LYS  26 -10.226  12.339  12.339
  215   3HZ   LYS  26          1HZ       LYS  26 -10.046  14.024  14.024
  216    H    LEU  27           H        LEU  27  -2.301  12.545  12.545
  217    HA   LEU  27           HA       LEU  27  -0.311  14.274  14.274
  218   1HB   LEU  27          2HB       LEU  27  -0.185  11.338  11.338
  219   2HB   LEU  27          1HB       LEU  27   1.301  12.280  12.280
  220    HG   LEU  27           HG       LEU  27  -0.519  12.840  12.840
  221   1HD1  LEU  27          2HD1      LEU  27  -0.903  10.342  10.342
  222   2HD1  LEU  27          1HD1      LEU  27   0.760  10.104  10.104
  223   3HD1  LEU  27          3HD1      LEU  27  -0.443  10.745  10.745
  224   1HD2  LEU  27          2HD2      LEU  27   2.292  12.716  12.716
  225   2HD2  LEU  27          1HD2      LEU  27   1.503  13.456  13.456
  226   3HD2  LEU  27          3HD2      LEU  27   1.973  11.756  11.756
  227    H    LYS  28           H        LYS  28   1.800  14.189  14.189
  228    HA   LYS  28           HA       LYS  28   1.057  14.254  14.254
  229   1HB   LYS  28          2HB       LYS  28   1.026  16.493  16.493
  230   2HB   LYS  28          1HB       LYS  28   2.775  16.391  16.391
  231   1HG   LYS  28          2HG       LYS  28   2.501  16.304  16.304
  232   2HG   LYS  28          1HG       LYS  28   0.746  16.306  16.306
  233   1HD   LYS  28          2HD       LYS  28   0.913  18.559  18.559
  234   2HD   LYS  28          1HD       LYS  28   1.479  18.508  18.508
  235   1HE   LYS  28          2HE       LYS  28   3.153  19.743  19.743
  236   2HE   LYS  28          1HE       LYS  28   3.834  18.112  18.112
  237   1HZ   LYS  28          2HZ       LYS  28   2.152  18.886  18.886
  238   2HZ   LYS  28          1HZ       LYS  28   3.838  19.095  19.095
  239   3HZ   LYS  28          3HZ       LYS  28   3.179  17.540  17.540
  240    H    LYS  29           H        LYS  29   2.914  13.925  13.925
  241    HA   LYS  29           HA       LYS  29   4.835  12.068  12.068
  242   1HB   LYS  29          2HB       LYS  29   4.880  14.486  14.486
  243   2HB   LYS  29          1HB       LYS  29   6.237  13.360  13.360
  244   1HG   LYS  29          2HG       LYS  29   4.914  11.555  11.555
  245   2HG   LYS  29          1HG       LYS  29   3.407  12.387  12.387
  246   1HD   LYS  29          2HD       LYS  29   3.705  12.498  12.498
  247   2HD   LYS  29          1HD       LYS  29   4.014  14.110  14.110
  248   1HE   LYS  29          2HE       LYS  29   6.487  13.503  13.503
  249   2HE   LYS  29          1HE       LYS  29   6.062  12.060  12.060
  250   1HZ   LYS  29          3HZ       LYS  29   4.936  14.613  14.613
  251   2HZ   LYS  29          2HZ       LYS  29   6.589  14.365  14.365
  252   3HZ   LYS  29          1HZ       LYS  29   5.439  13.285  13.285
  253    H    SER  30           H        SER  30   4.842  15.461  15.461
  254    HA   SER  30           HA       SER  30   7.628  15.521  15.521
  255   1HB   SER  30          2HB       SER  30   7.136  17.747  17.747
  256   2HB   SER  30          1HB       SER  30   5.759  17.354  17.354
  257    HG   SER  30           HG       SER  30   5.375  18.412  18.412
  258    H    GLU  31           H        GLU  31   4.520  15.611  15.611
  259    HA   GLU  31           HA       GLU  31   5.606  15.273  15.273
  260   1HB   GLU  31          2HB       GLU  31   3.002  14.243  14.243
  261   2HB   GLU  31          1HB       GLU  31   3.323  14.445  14.445
  262   1HG   GLU  31          2HG       GLU  31   3.870  16.901  16.901
  263   2HG   GLU  31          1HG       GLU  31   3.074  16.583  16.583
  264    H    LEU  32           H        LEU  32   4.949  12.961  12.961
  265    HA   LEU  32           HA       LEU  32   5.213  10.540  10.540
  266   1HB   LEU  32          2HB       LEU  32   5.129  11.490  11.490
  267   2HB   LEU  32          1HB       LEU  32   6.189  10.091  10.091
  268    HG   LEU  32           HG       LEU  32   3.789   9.490   9.490
  269   1HD1  LEU  32          1HD1      LEU  32   5.604   8.371   8.371
  270   2HD1  LEU  32          3HD1      LEU  32   4.074   8.390   8.390
  271   3HD1  LEU  32          2HD1      LEU  32   4.188   7.572   7.572
  272   1HD2  LEU  32          1HD2      LEU  32   3.437  10.793  10.793
  273   2HD2  LEU  32          3HD2      LEU  32   2.644  11.238  11.238
  274   3HD2  LEU  32          2HD2      LEU  32   2.246   9.713   9.713
  275    H    LYS  33           H        LYS  33   7.643  12.342  12.342
  276    HA   LYS  33           HA       LYS  33   9.915  10.794  10.794
  277   1HB   LYS  33          2HB       LYS  33  10.156  12.676  12.676
  278   2HB   LYS  33          1HB       LYS  33   9.368  13.750  13.750
  279   1HG   LYS  33          2HG       LYS  33  11.862  14.079  14.079
  280   2HG   LYS  33          1HG       LYS  33  11.294  13.699  13.699
  281   1HD   LYS  33          2HD       LYS  33  13.127  12.255  12.255
  282   2HD   LYS  33          1HD       LYS  33  11.772  11.215  11.215
  283   1HE   LYS  33          2HE       LYS  33  12.186  11.626  11.626
  284   2HE   LYS  33          1HE       LYS  33  13.498  12.751  12.751
  285   1HZ   LYS  33          1HZ       LYS  33  14.165  10.648  10.648
  286   2HZ   LYS  33          3HZ       LYS  33  13.430   9.849   9.849
  287   3HZ   LYS  33          2HZ       LYS  33  14.744  10.889  10.889
  288    H    GLU  34           H        GLU  34   8.378  13.211  13.211
  289    HA   GLU  34           HA       GLU  34  10.259  13.123  13.123
  290   1HB   GLU  34          2HB       GLU  34   7.884  14.406  14.406
  291   2HB   GLU  34          1HB       GLU  34   7.434  13.440  13.440
  292   1HG   GLU  34          2HG       GLU  34   8.216  15.557  15.557
  293   2HG   GLU  34          1HG       GLU  34   9.491  14.383  14.383
  294    H    LEU  35           H        LEU  35   7.228  11.352  11.352
  295    HA   LEU  35           HA       LEU  35   7.116   9.801   9.801
  296   1HB   LEU  35          2HB       LEU  35   5.668  10.127  10.127
  297   2HB   LEU  35          1HB       LEU  35   6.371   8.538   8.538
  298    HG   LEU  35           HG       LEU  35   5.386   8.870   8.870
  299   1HD1  LEU  35          1HD1      LEU  35   3.763  10.090  10.090
  300   2HD1  LEU  35          3HD1      LEU  35   3.176   8.431   8.431
  301   3HD1  LEU  35          2HD1      LEU  35   3.163   9.254   9.254
  302   1HD2  LEU  35          1HD2      LEU  35   6.136   6.813   6.813
  303   2HD2  LEU  35          3HD2      LEU  35   5.031   6.624   6.624
  304   3HD2  LEU  35          2HD2      LEU  35   4.390   6.767   6.767
  305    H    ILE  36           H        ILE  36   8.991   9.271   9.271
  306    HA   ILE  36           HA       ILE  36   9.966   6.674   6.674
  307    HB   ILE  36           HB       ILE  36  10.086   8.329   8.329
  308   1HG1  ILE  36          2HG1      ILE  36   9.295   6.286   6.286
  309   2HG1  ILE  36          1HG1      ILE  36   9.689   5.358   5.358
  310   1HG2  ILE  36          2HG2      ILE  36  12.238   6.508   6.508
  311   2HG2  ILE  36          1HG2      ILE  36  11.704   6.294   6.294
  312   3HG2  ILE  36          3HG2      ILE  36  12.316   7.860   7.860
  313   1HD1  ILE  36          3HD1      ILE  36   7.705   7.645   7.645
  314   2HD1  ILE  36          2HD1      ILE  36   7.246   5.951   5.951
  315   3HD1  ILE  36          1HD1      ILE  36   7.998   6.504   6.504
  316    H    ASN  37           H        ASN  37  10.951  10.029  10.029
  317    HA   ASN  37           HA       ASN  37  13.782   9.428   9.428
  318   1HB   ASN  37          2HB       ASN  37  13.595  11.231  11.231
  319   2HB   ASN  37          1HB       ASN  37  12.081  11.769  11.769
  320   1HD2  ASN  37          2HD2      ASN  37  13.910  14.285  14.285
  321   2HD2  ASN  37          1HD2      ASN  37  12.631  13.907  13.907
  322    H    ASN  38           H        ASN  38  10.891  10.522  10.522
  323    HA   ASN  38           HA       ASN  38  12.391  11.265  11.265
  324   1HB   ASN  38          2HB       ASN  38   9.562  11.209  11.209
  325   2HB   ASN  38          1HB       ASN  38   9.847  11.337  11.337
  326   1HD2  ASN  38          2HD2      ASN  38   9.872  14.839  14.839
  327   2HD2  ASN  38          1HD2      ASN  38   8.808  13.592  13.592
  328    H    GLU  39           H        GLU  39  11.348   8.355   8.355
  329    HA   GLU  39           HA       GLU  39  11.437   7.013   7.013
  330   1HB   GLU  39          2HB       GLU  39   9.378   6.937   6.937
  331   2HB   GLU  39          1HB       GLU  39   9.555   5.572   5.572
  332   1HG   GLU  39          2HG       GLU  39   8.409   6.683   6.683
  333   2HG   GLU  39          1HG       GLU  39   9.570   8.005   8.005
  334    H    LEU  40           H        LEU  40  11.447   6.540   6.540
  335    HA   LEU  40           HA       LEU  40  12.999   4.026   4.026
  336   1HB   LEU  40          2HB       LEU  40  12.063   5.278   5.278
  337   2HB   LEU  40          1HB       LEU  40  12.271   3.568   3.568
  338    HG   LEU  40           HG       LEU  40  10.148   5.410   5.410
  339   1HD1  LEU  40          2HD1      LEU  40  10.281   3.652   3.652
  340   2HD1  LEU  40          1HD1      LEU  40   8.985   3.187   3.187
  341   3HD1  LEU  40          3HD1      LEU  40   9.040   4.822   4.822
  342   1HD2  LEU  40          3HD2      LEU  40  11.176   3.524   3.524
  343   2HD2  LEU  40          2HD2      LEU  40   9.421   3.620   3.620
  344   3HD2  LEU  40          1HD2      LEU  40  10.315   2.427   2.427
  345    H    SER  41           H        SER  41  14.857   5.532   5.532
  346    HA   SER  41           HA       SER  41  16.202   7.181   7.181
  347   1HB   SER  41          2HB       SER  41  17.360   6.026   6.026
  348   2HB   SER  41          1HB       SER  41  17.732   7.568   7.568
  349    HG   SER  41           HG       SER  41  15.976   8.416   8.416
  350    H    HIS  42           H        HIS  42  16.174   3.804   3.804
  351    HA   HIS  42           HA       HIS  42  18.840   3.097   3.097
  352   1HB   HIS  42          2HB       HIS  42  16.229   1.807   1.807
  353   2HB   HIS  42          1HB       HIS  42  17.328   0.900   0.900
  354    HD1  HIS  42           HD1      HIS  42  17.282   2.582   2.582
  355    HD2  HIS  42           HD2      HIS  42  19.411  -0.347  -0.347
  356    HE1  HIS  42           HE1      HIS  42  18.869   1.536   1.536
  357    H    PHE  43           H        PHE  43  15.940   2.025   2.025
  358    HA   PHE  43           HA       PHE  43  17.275   1.829   1.829
  359   1HB   PHE  43          2HB       PHE  43  15.325   0.777   0.777
  360   2HB   PHE  43          1HB       PHE  43  14.730   1.321   1.321
  361    HD1  PHE  43           HD1      PHE  43  15.200   2.555   2.555
  362    HD2  PHE  43           HD2      PHE  43  12.856   2.677   2.677
  363    HE1  PHE  43           HE1      PHE  43  13.531   4.003   4.003
  364    HE2  PHE  43           HE2      PHE  43  11.192   4.129   4.129
  365    HZ   PHE  43           HZ       PHE  43  11.531   4.794   4.794
  366    H    LEU  44           H        LEU  44  16.302   4.630   4.630
  367    HA   LEU  44           HA       LEU  44  15.468   6.463   6.463
  368   1HB   LEU  44          2HB       LEU  44  16.093   6.666   6.666
  369   2HB   LEU  44          1HB       LEU  44  17.699   7.080   7.080
  370    HG   LEU  44           HG       LEU  44  16.735   8.896   8.896
  371   1HD1  LEU  44          3HD1      LEU  44  14.314   7.447   7.447
  372   2HD1  LEU  44          2HD1      LEU  44  14.146   9.138   9.138
  373   3HD1  LEU  44          1HD1      LEU  44  14.565   8.726   8.726
  374   1HD2  LEU  44          3HD2      LEU  44  16.605   8.718   8.718
  375   2HD2  LEU  44          2HD2      LEU  44  17.199  10.033  10.033
  376   3HD2  LEU  44          1HD2      LEU  44  15.478   9.914   9.914
  377    H    GLU  45           H        GLU  45  18.645   5.098   5.098
  378    HA   GLU  45           HA       GLU  45  20.229   6.635   6.635
  379   1HB   GLU  45          2HB       GLU  45  20.358   4.302   4.302
  380   2HB   GLU  45          1HB       GLU  45  21.084   3.909   3.909
  381   1HG   GLU  45          2HG       GLU  45  22.948   4.942   4.942
  382   2HG   GLU  45          1HG       GLU  45  22.066   6.453   6.453
  383    H    GLU  46           H        GLU  46  18.071   3.910   3.910
  384    HA   GLU  46           HA       GLU  46  17.094   2.943   2.943
  385   1HB   GLU  46          2HB       GLU  46  17.481   5.636   5.636
  386   2HB   GLU  46          1HB       GLU  46  18.264   4.930   4.930
  387   1HG   GLU  46          2HG       GLU  46  16.285   4.315   4.315
  388   2HG   GLU  46          1HG       GLU  46  15.712   3.643   3.643
  389    H    ILE  47           H        ILE  47  20.266   4.341   4.341
  390    HA   ILE  47           HA       ILE  47  21.133   2.658   2.658
  391    HB   ILE  47           HB       ILE  47  22.305   4.567   4.567
  392   1HG1  ILE  47          2HG1      ILE  47  24.528   3.711   3.711
  393   2HG1  ILE  47          1HG1      ILE  47  23.978   2.051   2.051
  394   1HG2  ILE  47          2HG2      ILE  47  21.888   3.634   3.634
  395   2HG2  ILE  47          1HG2      ILE  47  23.090   2.389   2.389
  396   3HG2  ILE  47          3HG2      ILE  47  23.573   4.086   4.086
  397   1HD1  ILE  47          3HD1      ILE  47  22.542   3.642   3.642
  398   2HD1  ILE  47          2HD1      ILE  47  24.207   3.198   3.198
  399   3HD1  ILE  47          1HD1      ILE  47  23.021   1.943   1.943
  400    H    LYS  48           H        LYS  48  21.093   1.907   1.907
  401    HA   LYS  48           HA       LYS  48  22.493  -0.498  -0.498
  402   1HB   LYS  48          2HB       LYS  48  20.276   0.827   0.827
  403   2HB   LYS  48          1HB       LYS  48  20.247  -0.929  -0.929
  404   1HG   LYS  48          2HG       LYS  48  21.640  -0.306  -0.306
  405   2HG   LYS  48          1HG       LYS  48  22.809  -0.653  -0.653
  406   1HD   LYS  48          2HD       LYS  48  23.589   1.445   1.445
  407   2HD   LYS  48          1HD       LYS  48  22.025   2.042   2.042
  408   1HE   LYS  48          2HE       LYS  48  22.378   3.080   3.080
  409   2HE   LYS  48          1HE       LYS  48  21.250   1.747   1.747
  410   1HZ   LYS  48          1HZ       LYS  48  24.210   1.586   1.586
  411   2HZ   LYS  48          3HZ       LYS  48  23.137   1.709   1.709
  412   3HZ   LYS  48          2HZ       LYS  48  23.117   0.326   0.326
  413    H    GLU  49           H        GLU  49  19.479   0.172   0.172
  414    HA   GLU  49           HA       GLU  49  19.375  -2.662  -2.662
  415   1HB   GLU  49          2HB       GLU  49  16.828  -2.397  -2.397
  416   2HB   GLU  49          1HB       GLU  49  17.796  -2.617  -2.617
  417   1HG   GLU  49          2HG       GLU  49  17.822  -0.184  -0.184
  418   2HG   GLU  49          1HG       GLU  49  16.880   0.056   0.056
  419    H    GLN  50           H        GLN  50  20.150  -1.860  -1.860
  420    HA   GLN  50           HA       GLN  50  19.227   0.343   0.343
  421   1HB   GLN  50          2HB       GLN  50  20.196  -2.423  -2.423
  422   2HB   GLN  50          1HB       GLN  50  19.839  -1.221  -1.221
  423   1HG   GLN  50          2HG       GLN  50  21.408   0.026   0.026
  424   2HG   GLN  50          1HG       GLN  50  22.208  -1.468  -1.468
  425   1HE2  GLN  50          2HE2      GLN  50  21.465   1.202   1.202
  426   2HE2  GLN  50          1HE2      GLN  50  20.265   0.932   0.932
  427    H    GLU  51           H        GLU  51  18.166  -2.968  -2.968
  428    HA   GLU  51           HA       GLU  51  15.965  -2.469  -2.469
  429   1HB   GLU  51          2HB       GLU  51  16.789  -4.693  -4.693
  430   2HB   GLU  51          1HB       GLU  51  16.213  -4.472  -4.472
  431   1HG   GLU  51          2HG       GLU  51  13.898  -4.055  -4.055
  432   2HG   GLU  51          1HG       GLU  51  14.584  -4.751  -4.751
  433    H    VAL  52           H        VAL  52  15.996  -2.274  -2.274
  434    HA   VAL  52           HA       VAL  52  13.162  -1.726  -1.726
  435    HB   VAL  52           HB       VAL  52  15.463  -1.096  -1.096
  436   1HG1  VAL  52          3HG1      VAL  52  12.502  -1.003  -1.003
  437   2HG1  VAL  52          2HG1      VAL  52  13.322  -1.767  -1.767
  438   3HG1  VAL  52          1HG1      VAL  52  13.714  -0.108  -0.108
  439   1HG2  VAL  52          1HG2      VAL  52  15.227  -3.510  -3.510
  440   2HG2  VAL  52          3HG2      VAL  52  15.243  -3.301  -3.301
  441   3HG2  VAL  52          2HG2      VAL  52  13.717  -3.564  -3.564
  442    H    VAL  53           H        VAL  53  16.075   0.348   0.348
  443    HA   VAL  53           HA       VAL  53  14.911   2.864   2.864
  444    HB   VAL  53           HB       VAL  53  17.133   2.003   2.003
  445   1HG1  VAL  53          3HG1      VAL  53  15.942   4.570   4.570
  446   2HG1  VAL  53          2HG1      VAL  53  17.581   4.572   4.572
  447   3HG1  VAL  53          1HG1      VAL  53  17.307   4.174   4.174
  448   1HG2  VAL  53          3HG2      VAL  53  16.904   2.024   2.024
  449   2HG2  VAL  53          2HG2      VAL  53  18.282   1.537   1.537
  450   3HG2  VAL  53          1HG2      VAL  53  18.103   3.221   3.221
  451    H    ASP  54           H        ASP  54  14.945   0.735   0.735
  452    HA   ASP  54           HA       ASP  54  13.810   2.639   2.639
  453   1HB   ASP  54          2HB       ASP  54  14.974   0.847   0.847
  454   2HB   ASP  54          1HB       ASP  54  14.318  -0.320  -0.320
  455    H    LYS  55           H        LYS  55  12.561   0.129   0.129
  456    HA   LYS  55           HA       LYS  55   9.774   0.511   0.511
  457   1HB   LYS  55          2HB       LYS  55  10.871  -0.738  -0.738
  458   2HB   LYS  55          1HB       LYS  55   9.313  -1.063  -1.063
  459   1HG   LYS  55          2HG       LYS  55  12.050  -1.931  -1.931
  460   2HG   LYS  55          1HG       LYS  55  10.595  -2.896  -2.896
  461   1HD   LYS  55          2HD       LYS  55   9.810  -1.124  -1.124
  462   2HD   LYS  55          1HD       LYS  55  11.518  -1.332  -1.332
  463   1HE   LYS  55          2HE       LYS  55  11.217  -3.497  -3.497
  464   2HE   LYS  55          1HE       LYS  55  10.079  -3.840  -3.840
  465   1HZ   LYS  55          1HZ       LYS  55   8.468  -2.371  -2.371
  466   2HZ   LYS  55          3HZ       LYS  55   9.531  -2.334  -2.334
  467   3HZ   LYS  55          2HZ       LYS  55   8.833  -3.805  -3.805
  468    H    VAL  56           H        VAL  56  11.463   1.101   1.101
  469    HA   VAL  56           HA       VAL  56   9.674   2.581   2.581
  470    HB   VAL  56           HB       VAL  56  12.620   3.089   3.089
  471   1HG1  VAL  56          1HG1      VAL  56  10.900   4.840   4.840
  472   2HG1  VAL  56          3HG1      VAL  56  11.469   3.862   3.862
  473   3HG1  VAL  56          2HG1      VAL  56  12.626   4.722   4.722
  474   1HG2  VAL  56          3HG2      VAL  56  11.024   1.375   1.375
  475   2HG2  VAL  56          2HG2      VAL  56  12.414   0.934   0.934
  476   3HG2  VAL  56          1HG2      VAL  56  12.640   1.925   1.925
  477    H    MET  57           H        MET  57  11.614   3.813   3.813
  478    HA   MET  57           HA       MET  57  10.494   6.511   6.511
  479   1HB   MET  57          2HB       MET  57  12.200   5.030   5.030
  480   2HB   MET  57          1HB       MET  57  11.792   6.738   6.738
  481   1HG   MET  57          2HG       MET  57  13.244   5.473   5.473
  482   2HG   MET  57          1HG       MET  57  13.987   6.459   6.459
  483   1HE   MET  57          1HE       MET  57  12.849   8.490   8.490
  484   2HE   MET  57          3HE       MET  57  11.214   8.749   8.749
  485   3HE   MET  57          2HE       MET  57  12.517   9.849   9.849
  486    H    GLU  58           H        GLU  58   9.799   3.569   3.569
  487    HA   GLU  58           HA       GLU  58   8.186   4.723   4.723
  488   1HB   GLU  58          2HB       GLU  58   7.850   2.515   2.515
  489   2HB   GLU  58          1HB       GLU  58   9.160   2.271   2.271
  490   1HG   GLU  58          2HG       GLU  58   7.470   1.909   1.909
  491   2HG   GLU  58          1HG       GLU  58   6.192   2.068   2.068
  492    H    THR  59           H        THR  59   7.327   3.557   3.557
  493    HA   THR  59           HA       THR  59   4.490   4.166   4.166
  494    HB   THR  59           HB       THR  59   6.311   3.332   3.332
  495    HG1  THR  59           HG1      THR  59   4.454   1.639   1.639
  496   1HG2  THR  59          3HG2      THR  59   3.382   4.080   4.080
  497   2HG2  THR  59          2HG2      THR  59   4.131   3.026   3.026
  498   3HG2  THR  59          1HG2      THR  59   4.691   4.689   4.689
  499    H    LEU  60           H        LEU  60   7.238   5.659   5.659
  500    HA   LEU  60           HA       LEU  60   5.889   7.768   7.768
  501   1HB   LEU  60          2HB       LEU  60   8.495   6.910   6.910
  502   2HB   LEU  60          1HB       LEU  60   8.436   8.530   8.530
  503    HG   LEU  60           HG       LEU  60   7.695   7.752   7.752
  504   1HD1  LEU  60          3HD1      LEU  60  10.009   9.169   9.169
  505   2HD1  LEU  60          2HD1      LEU  60   9.551   9.568   9.568
  506   3HD1  LEU  60          1HD1      LEU  60  10.027   7.920   7.920
  507   1HD2  LEU  60          3HD2      LEU  60   6.551   9.770   9.770
  508   2HD2  LEU  60          2HD2      LEU  60   6.637   9.746   9.746
  509   3HD2  LEU  60          1HD2      LEU  60   7.864  10.604  10.604
  510    H    ASP  61           H        ASP  61   6.941   7.499   7.499
  511    HA   ASP  61           HA       ASP  61   6.412  10.245  10.245
  512   1HB   ASP  61          2HB       ASP  61   7.750   8.242   8.242
  513   2HB   ASP  61          1HB       ASP  61   6.204   7.944   7.944
  514    H    SER  62           H        SER  62   4.527   7.233   7.233
  515    HA   SER  62           HA       SER  62   2.172   8.697   8.697
  516   1HB   SER  62          2HB       SER  62   1.709   5.943   5.943
  517   2HB   SER  62          1HB       SER  62   1.739   6.666   6.666
  518    HG   SER  62           HG       SER  62   3.907   6.302   6.302
  519    H    ASP  63           H        ASP  63   2.679   6.389   6.389
  520    HA   ASP  63           HA       ASP  63   1.424   6.154   6.154
  521   1HB   ASP  63          2HB       ASP  63   3.312   7.856   7.856
  522   2HB   ASP  63          1HB       ASP  63   2.086   9.112   9.112
  523    H    GLY  64           H        GLY  64   0.317   9.171   9.171
  524   1HA   GLY  64          2HA       GLY  64  -2.419   8.488   8.488
  525   2HA   GLY  64          1HA       GLY  64  -2.012   9.719   9.719
  526    H    ASP  65           H        ASP  65   0.201  10.073  10.073
  527    HA   ASP  65           HA       ASP  65   0.508  11.729  11.729
  528   1HB   ASP  65          2HB       ASP  65  -0.793  10.208  10.208
  529   2HB   ASP  65          1HB       ASP  65  -2.282  10.658  10.658
  530    H    GLY  66           H        GLY  66   0.316  13.143  13.143
  531   1HA   GLY  66          2HA       GLY  66  -0.173  15.509  15.509
  532   2HA   GLY  66          1HA       GLY  66  -1.659  15.280  15.280
  533    H    GLU  67           H        GLU  67  -2.096  12.704  12.704
  534    HA   GLU  67           HA       GLU  67  -2.734  13.886  13.886
  535   1HB   GLU  67          2HB       GLU  67  -4.596  14.401  14.401
  536   2HB   GLU  67          1HB       GLU  67  -4.781  12.672  12.672
  537   1HG   GLU  67          2HG       GLU  67  -6.166  12.578  12.578
  538   2HG   GLU  67          1HG       GLU  67  -4.774  12.919  12.919
  539    H    CYS  68           H        CYS  68  -1.236  12.259  12.259
  540    HA   CYS  68           HA       CYS  68  -1.861   9.413   9.413
  541   1HB   CYS  68          2HB       CYS  68   0.163  10.692  10.692
  542   2HB   CYS  68          1HB       CYS  68   0.196   9.049   9.049
  543    HG   CYS  68           HG       CYS  68   1.758  10.622  10.622
  544    H    ASP  69           H        ASP  69  -3.793   8.959   8.959
  545    HA   ASP  69           HA       ASP  69  -4.240   9.833   9.833
  546   1HB   ASP  69          2HB       ASP  69  -5.772   8.181   8.181
  547   2HB   ASP  69          1HB       ASP  69  -6.397   8.624   8.624
  548    H    PHE  70           H        PHE  70  -5.330   7.998   7.998
  549    HA   PHE  70           HA       PHE  70  -3.675   6.372   6.372
  550   1HB   PHE  70          2HB       PHE  70  -6.473   5.913   5.913
  551   2HB   PHE  70          1HB       PHE  70  -5.678   4.744   4.744
  552    HD1  PHE  70           HD1      PHE  70  -6.746   8.276   8.276
  553    HD2  PHE  70           HD2      PHE  70  -5.228   5.224   5.224
  554    HE1  PHE  70           HE1      PHE  70  -7.115   9.754   9.754
  555    HE2  PHE  70           HE2      PHE  70  -5.617   6.713   6.713
  556    HZ   PHE  70           HZ       PHE  70  -6.542   8.956   8.956
  557    H    GLN  71           H        GLN  71  -5.647   4.673   4.673
  558    HA   GLN  71           HA       GLN  71  -4.186   2.364   2.364
  559   1HB   GLN  71          2HB       GLN  71  -5.093   2.497   2.497
  560   2HB   GLN  71          1HB       GLN  71  -6.258   2.647   2.647
  561   1HG   GLN  71          2HG       GLN  71  -6.528   4.947   4.947
  562   2HG   GLN  71          1HG       GLN  71  -4.971   5.120   5.120
  563   1HE2  GLN  71          2HE2      GLN  71  -6.728   5.108   5.108
  564   2HE2  GLN  71          1HE2      GLN  71  -5.672   5.945   5.945
  565    H    GLU  72           H        GLU  72  -3.293   5.549   5.549
  566    HA   GLU  72           HA       GLU  72  -1.142   4.614   4.614
  567   1HB   GLU  72          2HB       GLU  72  -1.520   7.400   7.400
  568   2HB   GLU  72          1HB       GLU  72  -0.959   6.899   6.899
  569   1HG   GLU  72          2HG       GLU  72  -3.423   5.724   5.724
  570   2HG   GLU  72          1HG       GLU  72  -3.726   7.197   7.197
  571    H    PHE  73           H        PHE  73  -1.273   6.355   6.355
  572    HA   PHE  73           HA       PHE  73   1.529   6.399   6.399
  573   1HB   PHE  73          2HB       PHE  73   0.163   7.653   7.653
  574   2HB   PHE  73          1HB       PHE  73  -0.897   6.282   6.282
  575    HD1  PHE  73           HD1      PHE  73   2.729   5.761   5.761
  576    HD2  PHE  73           HD2      PHE  73  -0.596   6.607   6.607
  577    HE1  PHE  73           HE1      PHE  73   4.071   5.109   5.109
  578    HE2  PHE  73           HE2      PHE  73   0.745   5.969   5.969
  579    HZ   PHE  73           HZ       PHE  73   3.088   5.217   5.217
  580    H    MET  74           H        MET  74  -0.892   3.935   3.935
  581    HA   MET  74           HA       MET  74   1.041   2.068   2.068
  582   1HB   MET  74          2HB       MET  74  -1.768   1.695   1.695
  583   2HB   MET  74          1HB       MET  74  -0.927   0.571   0.571
  584   1HG   MET  74          2HG       MET  74  -1.369   3.456   3.456
  585   2HG   MET  74          1HG       MET  74  -2.568   2.210   2.210
  586   1HE   MET  74          3HE       MET  74  -2.642   0.774   0.774
  587   2HE   MET  74          2HE       MET  74  -1.464  -0.318  -0.318
  588   3HE   MET  74          1HE       MET  74  -1.317   0.128   0.128
  589    H    ALA  75           H        ALA  75  -0.193   2.797   2.797
  590    HA   ALA  75           HA       ALA  75   0.579   0.341   0.341
  591   1HB   ALA  75          2HB       ALA  75  -0.113   3.161   3.161
  592   2HB   ALA  75          1HB       ALA  75   0.564   2.112   2.112
  593   3HB   ALA  75          3HB       ALA  75  -0.945   1.669   1.669
  594    H    PHE  76           H        PHE  76   1.973   3.470   3.470
  595    HA   PHE  76           HA       PHE  76   4.423   2.700   2.700
  596   1HB   PHE  76          2HB       PHE  76   3.524   4.995   4.995
  597   2HB   PHE  76          1HB       PHE  76   3.808   5.043   5.043
  598    HD1  PHE  76           HD1      PHE  76   5.817   3.795   3.795
  599    HD2  PHE  76           HD2      PHE  76   5.629   6.386   6.386
  600    HE1  PHE  76           HE1      PHE  76   8.161   4.508   4.508
  601    HE2  PHE  76           HE2      PHE  76   7.969   7.107   7.107
  602    HZ   PHE  76           HZ       PHE  76   9.236   6.165   6.165
  603    H    VAL  77           H        VAL  77   3.875   3.602   3.602
  604    HA   VAL  77           HA       VAL  77   6.413   2.932   2.932
  605    HB   VAL  77           HB       VAL  77   4.234   3.823   3.823
  606   1HG1  VAL  77          2HG1      VAL  77   3.021   1.627   1.627
  607   2HG1  VAL  77          1HG1      VAL  77   3.987   0.898   0.898
  608   3HG1  VAL  77          3HG1      VAL  77   2.871   2.213   2.213
  609   1HG2  VAL  77          3HG2      VAL  77   6.115   1.877   1.877
  610   2HG2  VAL  77          2HG2      VAL  77   6.376   3.608   3.608
  611   3HG2  VAL  77          1HG2      VAL  77   5.081   3.035   3.035
  612    H    ALA  78           H        ALA  78   3.742   0.834   0.834
  613    HA   ALA  78           HA       ALA  78   5.060  -1.641  -1.641
  614   1HB   ALA  78          1HB       ALA  78   2.605  -1.246  -1.246
  615   2HB   ALA  78          3HB       ALA  78   2.680  -1.125  -1.125
  616   3HB   ALA  78          2HB       ALA  78   3.071  -2.649  -2.649
  617    H    MET  79           H        MET  79   4.242  -0.223  -0.223
  618    HA   MET  79           HA       MET  79   5.321  -2.103  -2.103
  619   1HB   MET  79          2HB       MET  79   4.876   0.791   0.791
  620   2HB   MET  79          1HB       MET  79   6.205   0.346   0.346
  621   1HG   MET  79          2HG       MET  79   3.812  -1.372  -1.372
  622   2HG   MET  79          1HG       MET  79   3.579   0.297   0.297
  623   1HE   MET  79          3HE       MET  79   6.185  -2.589  -2.589
  624   2HE   MET  79          2HE       MET  79   4.708  -3.129  -3.129
  625   3HE   MET  79          1HE       MET  79   6.192  -2.961  -2.961
  626    H    ILE  80           H        ILE  80   7.174   0.633   0.633
  627    HA   ILE  80           HA       ILE  80   9.769  -0.293  -0.293
  628    HB   ILE  80           HB       ILE  80   9.211   1.115   1.115
  629   1HG1  ILE  80          2HG1      ILE  80   9.054   2.394   2.394
  630   2HG1  ILE  80          1HG1      ILE  80   7.699   2.179   2.179
  631   1HG2  ILE  80          3HG2      ILE  80  11.488   0.594   0.594
  632   2HG2  ILE  80          2HG2      ILE  80  11.187   2.330   2.330
  633   3HG2  ILE  80          1HG2      ILE  80  11.409   1.554   1.554
  634   1HD1  ILE  80          1HD1      ILE  80   9.703   3.353   3.353
  635   2HD1  ILE  80          3HD1      ILE  80   9.729   4.230   4.230
  636   3HD1  ILE  80          2HD1      ILE  80   8.235   4.128   4.128
  637    H    THR  81           H        THR  81   8.219  -0.339  -0.339
  638    HA   THR  81           HA       THR  81   9.768  -1.796  -1.796
  639    HB   THR  81           HB       THR  81   6.889  -1.582  -1.582
  640    HG1  THR  81           HG1      THR  81   7.199  -0.348  -0.348
  641   1HG2  THR  81          2HG2      THR  81   7.935  -3.886  -3.886
  642   2HG2  THR  81          1HG2      THR  81   6.333  -3.220  -3.220
  643   3HG2  THR  81          3HG2      THR  81   6.763  -3.924  -3.924
  644    H    THR  82           H        THR  82   7.863  -3.228  -3.228
  645    HA   THR  82           HA       THR  82   8.857  -5.935  -5.935
  646    HB   THR  82           HB       THR  82   7.821  -5.553  -5.553
  647    HG1  THR  82           HG1      THR  82   5.760  -4.820  -4.820
  648   1HG2  THR  82          1HG2      THR  82   7.373  -7.189  -7.189
  649   2HG2  THR  82          3HG2      THR  82   5.929  -6.912  -6.912
  650   3HG2  THR  82          2HG2      THR  82   7.360  -7.664  -7.664
  651    H    ALA  83           H        ALA  83   9.588  -3.423  -3.423
  652    HA   ALA  83           HA       ALA  83  11.665  -4.969  -4.969
  653   1HB   ALA  83          3HB       ALA  83  10.257  -3.016  -3.016
  654   2HB   ALA  83          2HB       ALA  83  11.275  -1.965  -1.965
  655   3HB   ALA  83          1HB       ALA  83  11.987  -2.909  -2.909
  656    H    CYS  84           H        CYS  84  11.414  -3.122  -3.122
  657    HA   CYS  84           HA       CYS  84  13.969  -2.032  -2.032
  658   1HB   CYS  84          2HB       CYS  84  12.160  -1.620  -1.620
  659   2HB   CYS  84          1HB       CYS  84  11.981  -3.341  -3.341
  660    HG   CYS  84           HG       CYS  84  13.658  -3.000  -3.000
  661    H    HIS  85           H        HIS  85  13.423  -4.710  -4.710
  662    HA   HIS  85           HA       HIS  85  15.297  -6.547  -6.547
  663   1HB   HIS  85          2HB       HIS  85  16.776  -4.709  -4.709
  664   2HB   HIS  85          1HB       HIS  85  16.166  -4.869  -4.869
  665    HD1  HIS  85           HD1      HIS  85  18.611  -6.291  -6.291
  666    HD2  HIS  85           HD2      HIS  85  16.905  -7.414  -7.414
  667    HE1  HIS  85           HE1      HIS  85  20.048  -8.163  -8.163
  668    H    GLU  86           H        GLU  86  15.467  -6.173  -6.173
  669    HA   GLU  86           HA       GLU  86  14.686  -8.732  -8.732
  670   1HB   GLU  86          2HB       GLU  86  15.181  -6.252  -6.252
  671   2HB   GLU  86          1HB       GLU  86  13.585  -6.726  -6.726
  672   1HG   GLU  86          2HG       GLU  86  14.946  -9.094  -9.094
  673   2HG   GLU  86          1HG       GLU  86  16.221  -7.932  -7.932
  674    H    PHE  87           H        PHE  87  12.463  -5.904  -5.904
  675    HA   PHE  87           HA       PHE  87  10.387  -7.329  -7.329
  676   1HB   PHE  87          2HB       PHE  87  10.719  -7.887  -7.887
  677   2HB   PHE  87          1HB       PHE  87   9.219  -6.984  -6.984
  678    HD1  PHE  87           HD2      PHE  87  10.403  -8.939  -8.939
  679    HD2  PHE  87           HD1      PHE  87   7.945  -9.060  -9.060
  680    HE1  PHE  87           HE2      PHE  87   9.223 -10.900 -10.900
  681    HE2  PHE  87           HE1      PHE  87   6.804 -11.075 -11.075
  682    HZ   PHE  87           HZ       PHE  87   7.440 -11.997 -11.997
  683    H    PHE  88           H        PHE  88  10.814  -4.702  -4.702
  684    HA   PHE  88           HA       PHE  88   8.954  -3.116  -3.116
  685   1HB   PHE  88          2HB       PHE  88   9.458  -3.216  -3.216
  686   2HB   PHE  88          1HB       PHE  88   9.019  -1.667  -1.667
  687    HD1  PHE  88           HD1      PHE  88   7.811  -4.849  -4.849
  688    HD2  PHE  88           HD2      PHE  88   6.856  -1.566  -1.566
  689    HE1  PHE  88           HE1      PHE  88   5.423  -5.547  -5.547
  690    HE2  PHE  88           HE2      PHE  88   4.480  -2.250  -2.250
  691    HZ   PHE  88           HZ       PHE  88   3.762  -4.238  -4.238
  692    H    GLU  89           H        GLU  89   9.493  -0.633  -0.633
  693    HA   GLU  89           HA       GLU  89  12.082  -0.226  -0.226
  694   1HB   GLU  89          2HB       GLU  89   9.991   1.621   1.621
  695   2HB   GLU  89          1HB       GLU  89  11.380   2.177   2.177
  696   1HG   GLU  89          2HG       GLU  89  10.551   1.354   1.354
  697   2HG   GLU  89          1HG       GLU  89   9.708   0.022   0.022
  698    H    HIS  90           H        HIS  90  13.516  -1.137  -1.137
  699    HA   HIS  90           HA       HIS  90  14.310   0.971   0.971
  700   1HB   HIS  90          2HB       HIS  90  14.359  -0.900  -0.900
  701   2HB   HIS  90          1HB       HIS  90  12.786  -0.234  -0.234
  702    HD1  HIS  90           HD1      HIS  90  14.800  -2.797  -2.797
  703    HD2  HIS  90           HD2      HIS  90  11.207  -2.514  -2.514
  704    HE1  HIS  90           HE1      HIS  90  13.576  -4.972  -4.972
  705    H    GLU  91           H        GLU  91  15.266  -0.837  -0.837
  706    HA   GLU  91           HA       GLU  91  18.058  -0.802  -0.802
  707   1HB   GLU  91          2HB       GLU  91  17.002  -2.666  -2.666
  708   2HB   GLU  91          1HB       GLU  91  16.882  -3.583  -3.583
  709   1HG   GLU  91          2HG       GLU  91  19.247  -3.529  -3.529
  710   2HG   GLU  91          1HG       GLU  91  19.467  -2.317  -2.317
  711   1H    MET   0          3H        MET   0   5.306   9.227   9.227
  712   2H    MET   0          2H        MET   0   5.448  10.070  10.070
  713   3H    MET   0          1H        MET   0   5.192  10.918  10.918
  714    HA   MET   0           HA       MET   0   7.353  10.682  10.682
  715   1HB   MET   0          2HB       MET   0   6.819  11.703  11.703
  716   2HB   MET   0          1HB       MET   0   7.949  10.433  10.433
  717   1HG   MET   0          2HG       MET   0   9.450  11.341  11.341
  718   2HG   MET   0          1HG       MET   0   8.420  12.771  12.771
  719   1HE   MET   0          2HE       MET   0  11.094  10.643  10.643
  720   2HE   MET   0          1HE       MET   0  11.722  12.123  12.123
  721   3HE   MET   0          3HE       MET   0  11.952  11.808  11.808
  722    H    SER   1           H        SER   1   9.335   9.475   9.475
  723    HA   SER   1           HA       SER   1  10.132   7.159   7.159
  724   1HB   SER   1          2HB       SER   1  10.835   6.480   6.480
  725   2HB   SER   1          1HB       SER   1  11.471   7.977   7.977
  726    HG   SER   1           HG       SER   1  10.465   8.013   8.013
  727    H    GLU   2           H        GLU   2   7.406   7.481   7.481
  728    HA   GLU   2           HA       GLU   2   6.787   4.874   4.874
  729   1HB   GLU   2          2HB       GLU   2   5.151   7.224   7.224
  730   2HB   GLU   2          1HB       GLU   2   4.354   5.720   5.720
  731   1HG   GLU   2          2HG       GLU   2   6.357   7.103   7.103
  732   2HG   GLU   2          1HG       GLU   2   4.630   7.458   7.458
  733    H    LEU   3           H        LEU   3   6.752   6.300   6.300
  734    HA   LEU   3           HA       LEU   3   5.171   4.323   4.323
  735   1HB   LEU   3          2HB       LEU   3   6.391   6.758   6.758
  736   2HB   LEU   3          1HB       LEU   3   7.341   5.640   5.640
  737    HG   LEU   3           HG       LEU   3   4.382   5.335   5.335
  738   1HD1  LEU   3          3HD1      LEU   3   5.070   7.856   7.856
  739   2HD1  LEU   3          2HD1      LEU   3   5.714   7.426   7.426
  740   3HD1  LEU   3          1HD1      LEU   3   3.997   7.207   7.207
  741   1HD2  LEU   3          3HD2      LEU   3   6.386   4.102   4.102
  742   2HD2  LEU   3          2HD2      LEU   3   4.843   4.402   4.402
  743   3HD2  LEU   3          1HD2      LEU   3   6.213   5.474   5.474
  744    H    GLU   4           H        GLU   4   8.677   4.863   4.863
  745    HA   GLU   4           HA       GLU   4   9.309   2.343   2.343
  746   1HB   GLU   4          2HB       GLU   4  11.633   2.954   2.954
  747   2HB   GLU   4          1HB       GLU   4  10.891   4.096   4.096
  748   1HG   GLU   4          2HG       GLU   4  10.385   5.623   5.623
  749   2HG   GLU   4          1HG       GLU   4  10.363   4.383   4.383
  750    H    LYS   5           H        LYS   5   8.996   3.322   3.322
  751    HA   LYS   5           HA       LYS   5  10.111   0.851   0.851
  752   1HB   LYS   5          2HB       LYS   5   8.250   2.828   2.828
  753   2HB   LYS   5          1HB       LYS   5   9.538   1.875   1.875
  754   1HG   LYS   5          2HG       LYS   5  10.631   3.521   3.521
  755   2HG   LYS   5          1HG       LYS   5   9.728   4.521   4.521
  756   1HD   LYS   5          2HD       LYS   5  11.469   4.409   4.409
  757   2HD   LYS   5          1HD       LYS   5  11.188   2.674   2.674
  758   1HE   LYS   5          2HE       LYS   5  12.576   2.345   2.345
  759   2HE   LYS   5          1HE       LYS   5  12.996   4.067   4.067
  760   1HZ   LYS   5          2HZ       LYS   5  13.306   2.188   2.188
  761   2HZ   LYS   5          1HZ       LYS   5  14.567   2.559   2.559
  762   3HZ   LYS   5          3HZ       LYS   5  13.891   3.779   3.779
  763    H    ALA   6           H        ALA   6   6.801   2.191   2.191
  764    HA   ALA   6           HA       ALA   6   5.459  -0.198  -0.198
  765   1HB   ALA   6          2HB       ALA   6   4.638   2.043   2.043
  766   2HB   ALA   6          1HB       ALA   6   3.523   0.893   0.893
  767   3HB   ALA   6          3HB       ALA   6   4.408   2.036   2.036
  768    H    VAL   7           H        VAL   7   6.982   0.842   0.842
  769    HA   VAL   7           HA       VAL   7   5.799  -0.961  -0.961
  770    HB   VAL   7           HB       VAL   7   7.981   0.952   0.952
  771   1HG1  VAL   7          2HG1      VAL   7   8.556  -1.636  -1.636
  772   2HG1  VAL   7          1HG1      VAL   7   9.182  -0.142  -0.142
  773   3HG1  VAL   7          3HG1      VAL   7   9.628  -0.606  -0.606
  774   1HG2  VAL   7          3HG2      VAL   7   5.837   0.273   0.273
  775   2HG2  VAL   7          2HG2      VAL   7   6.731   1.788   1.788
  776   3HG2  VAL   7          1HG2      VAL   7   7.323   0.498   0.498
  777    H    VAL   8           H        VAL   8   8.952  -1.137  -1.137
  778    HA   VAL   8           HA       VAL   8   9.674  -3.772  -3.772
  779    HB   VAL   8           HB       VAL   8  10.176  -1.777  -1.777
  780   1HG1  VAL   8          3HG1      VAL   8  10.783  -4.719  -4.719
  781   2HG1  VAL   8          2HG1      VAL   8  11.636  -3.443  -3.443
  782   3HG1  VAL   8          1HG1      VAL   8   9.900  -3.655  -3.655
  783   1HG2  VAL   8          2HG2      VAL   8  11.806  -3.485  -3.485
  784   2HG2  VAL   8          1HG2      VAL   8  11.641  -1.729  -1.729
  785   3HG2  VAL   8          3HG2      VAL   8  12.568  -2.544  -2.544
  786    H    ALA   9           H        ALA   9   7.381  -2.579  -2.579
  787    HA   ALA   9           HA       ALA   9   6.958  -5.100  -5.100
  788   1HB   ALA   9          1HB       ALA   9   6.266  -2.575  -2.575
  789   2HB   ALA   9          3HB       ALA   9   4.792  -3.053  -3.053
  790   3HB   ALA   9          2HB       ALA   9   5.292  -3.908  -3.908
  791    H    LEU  10           H        LEU  10   5.466  -3.540  -3.540
  792    HA   LEU  10           HA       LEU  10   3.410  -5.524  -5.524
  793   1HB   LEU  10          2HB       LEU  10   4.781  -3.407  -3.407
  794   2HB   LEU  10          1HB       LEU  10   3.656  -4.530  -4.530
  795    HG   LEU  10           HG       LEU  10   2.394  -3.638  -3.638
  796   1HD1  LEU  10          3HD1      LEU  10   4.209  -1.660  -1.660
  797   2HD1  LEU  10          2HD1      LEU  10   2.548  -1.107  -1.107
  798   3HD1  LEU  10          1HD1      LEU  10   3.170  -1.549  -1.549
  799   1HD2  LEU  10          1HD2      LEU  10   1.927  -3.849  -3.849
  800   2HD2  LEU  10          3HD2      LEU  10   0.733  -3.651  -3.651
  801   3HD2  LEU  10          2HD2      LEU  10   1.433  -2.232  -2.232
  802    H    ILE  11           H        ILE  11   6.681  -5.100  -5.100
  803    HA   ILE  11           HA       ILE  11   6.561  -7.359  -7.359
  804    HB   ILE  11           HB       ILE  11   8.956  -7.282  -7.282
  805   1HG1  ILE  11          2HG1      ILE  11   9.060  -5.541  -5.541
  806   2HG1  ILE  11          1HG1      ILE  11   9.013  -7.290  -7.290
  807   1HG2  ILE  11          3HG2      ILE  11   7.366  -4.905  -4.905
  808   2HG2  ILE  11          2HG2      ILE  11   8.962  -4.529  -4.529
  809   3HG2  ILE  11          1HG2      ILE  11   8.803  -5.253  -5.253
  810   1HD1  ILE  11          2HD1      ILE  11  10.879  -6.632  -6.632
  811   2HD1  ILE  11          1HD1      ILE  11  11.261  -5.680  -5.680
  812   3HD1  ILE  11          3HD1      ILE  11  11.192  -7.440  -7.440
  813    H    ASP  12           H        ASP  12   7.137  -7.165  -7.165
  814    HA   ASP  12           HA       ASP  12   7.857  -9.917  -9.917
  815   1HB   ASP  12          2HB       ASP  12   7.165  -7.541  -7.541
  816   2HB   ASP  12          1HB       ASP  12   6.248  -8.904  -8.904
  817    H    VAL  13           H        VAL  13   4.844  -8.120  -8.120
  818    HA   VAL  13           HA       VAL  13   3.056 -10.346 -10.346
  819    HB   VAL  13           HB       VAL  13   2.670  -7.738  -7.738
  820   1HG1  VAL  13          1HG1      VAL  13   0.898  -9.903  -9.903
  821   2HG1  VAL  13          3HG1      VAL  13   0.329  -8.254  -8.254
  822   3HG1  VAL  13          2HG1      VAL  13   0.688  -8.815  -8.815
  823   1HG2  VAL  13          1HG2      VAL  13   3.396  -8.149  -8.149
  824   2HG2  VAL  13          3HG2      VAL  13   2.788  -6.657  -6.657
  825   3HG2  VAL  13          2HG2      VAL  13   1.668  -7.800  -7.800
  826    H    PHE  14           H        PHE  14   3.973  -8.605  -8.605
  827    HA   PHE  14           HA       PHE  14   2.781 -10.263 -10.263
  828   1HB   PHE  14          2HB       PHE  14   4.890  -8.335  -8.335
  829   2HB   PHE  14          1HB       PHE  14   5.529  -9.765  -9.765
  830    HD1  PHE  14           HD2      PHE  14   3.728 -10.985 -10.985
  831    HD2  PHE  14           HD1      PHE  14   3.718  -6.834  -6.834
  832    HE1  PHE  14           HE2      PHE  14   2.312 -10.485 -10.485
  833    HE2  PHE  14           HE1      PHE  14   2.296  -6.333  -6.333
  834    HZ   PHE  14           HZ       PHE  14   1.590  -8.155  -8.155
  835    H    HIS  15           H        HIS  15   6.056 -10.720 -10.720
  836    HA   HIS  15           HA       HIS  15   6.867 -13.139 -13.139
  837   1HB   HIS  15          2HB       HIS  15   7.933 -11.671 -11.671
  838   2HB   HIS  15          1HB       HIS  15   6.863 -12.439 -12.439
  839    HD1  HIS  15           HD1      HIS  15   9.903 -13.050 -13.050
  840    HD2  HIS  15           HD2      HIS  15   7.444 -15.204 -15.204
  841    HE1  HIS  15           HE1      HIS  15  11.132 -15.201 -15.201
  842    H    GLN  16           H        GLN  16   4.665 -12.736 -12.736
  843    HA   GLN  16           HA       GLN  16   4.013 -15.550 -15.550
  844   1HB   GLN  16          2HB       GLN  16   3.651 -14.139 -14.139
  845   2HB   GLN  16          1HB       GLN  16   2.748 -12.959 -12.959
  846   1HG   GLN  16          2HG       GLN  16   1.009 -14.736 -14.736
  847   2HG   GLN  16          1HG       GLN  16   1.873 -15.760 -15.760
  848   1HE2  GLN  16          2HE2      GLN  16   0.383 -12.281 -12.281
  849   2HE2  GLN  16          1HE2      GLN  16   1.194 -12.221 -12.221
  850    H    TYR  17           H        TYR  17   1.760 -12.934 -12.934
  851    HA   TYR  17           HA       TYR  17  -0.309 -14.183 -14.183
  852   1HB   TYR  17          2HB       TYR  17   1.240 -11.684 -11.684
  853   2HB   TYR  17          1HB       TYR  17  -0.080 -12.126 -12.126
  854    HD1  TYR  17           HD1      TYR  17   0.796 -11.353 -11.353
  855    HD2  TYR  17           HD2      TYR  17  -2.377 -11.985 -11.985
  856    HE1  TYR  17           HE1      TYR  17  -0.856 -10.521 -10.521
  857    HE2  TYR  17           HE2      TYR  17  -4.020 -11.172 -11.172
  858    HH   TYR  17           HH       TYR  17  -3.033 -10.384 -10.384
  859    H    SER  18           H        SER  18   2.846 -13.652 -13.652
  860    HA   SER  18           HA       SER  18   1.936 -15.086 -15.086
  861   1HB   SER  18          2HB       SER  18   3.783 -14.083 -14.083
  862   2HB   SER  18          1HB       SER  18   3.463 -12.944 -12.944
  863    HG   SER  18           HG       SER  18   5.467 -14.886 -14.886
  864    H    GLY  19           H        GLY  19   4.608 -15.449 -15.449
  865   1HA   GLY  19          2HA       GLY  19   5.085 -18.176 -18.176
  866   2HA   GLY  19          1HA       GLY  19   6.121 -17.310 -17.310
  867    H    ARG  20           H        ARG  20   3.642 -16.706 -16.706
  868    HA   ARG  20           HA       ARG  20   3.920 -18.574 -18.574
  869   1HB   ARG  20          2HB       ARG  20   1.748 -17.910 -17.910
  870   2HB   ARG  20          1HB       ARG  20   2.389 -16.528 -16.528
  871   1HG   ARG  20          2HG       ARG  20   1.167 -17.342 -17.342
  872   2HG   ARG  20          1HG       ARG  20   0.449 -18.611 -18.611
  873   1HD   ARG  20          2HD       ARG  20  -0.378 -16.711 -16.711
  874   2HD   ARG  20          1HD       ARG  20   0.016 -15.625 -15.625
  875    HE   ARG  20           HE       ARG  20  -1.516 -16.994 -16.994
  876   1HH1  ARG  20          1HH2      ARG  20  -1.939 -19.456 -19.456
  877   2HH1  ARG  20          2HH2      ARG  20  -3.396 -19.196 -19.196
  878   1HH2  ARG  20          2HH1      ARG  20  -3.278 -15.743 -15.743
  879   2HH2  ARG  20          1HH1      ARG  20  -4.153 -17.095 -17.095
  880    H    GLU  21           H        GLU  21   1.776 -18.972 -18.972
  881    HA   GLU  21           HA       GLU  21   2.117 -21.864 -21.864
  882   1HB   GLU  21          2HB       GLU  21   0.010 -20.539 -20.539
  883   2HB   GLU  21          1HB       GLU  21  -0.618 -21.749 -21.749
  884   1HG   GLU  21          2HG       GLU  21   1.680 -22.901 -22.901
  885   2HG   GLU  21          1HG       GLU  21   0.789 -22.152 -22.152
  886    H    GLY  22           H        GLY  22   1.824 -19.298 -19.298
  887   1HA   GLY  22          2HA       GLY  22  -0.040 -20.549 -20.549
  888   2HA   GLY  22          1HA       GLY  22   0.131 -18.801 -18.801
  889    H    ASP  23           H        ASP  23   0.889 -18.411 -18.411
  890    HA   ASP  23           HA       ASP  23   2.976 -19.922 -19.922
  891   1HB   ASP  23          2HB       ASP  23   1.402 -17.443 -17.443
  892   2HB   ASP  23          1HB       ASP  23   2.972 -17.446 -17.446
  893    H    LYS  24           H        LYS  24   4.749 -17.904 -17.904
  894    HA   LYS  24           HA       LYS  24   6.619 -17.799 -17.799
  895   1HB   LYS  24          2HB       LYS  24   6.498 -16.842 -16.842
  896   2HB   LYS  24          1HB       LYS  24   7.845 -16.371 -16.371
  897   1HG   LYS  24          2HG       LYS  24   8.652 -18.536 -18.536
  898   2HG   LYS  24          1HG       LYS  24   7.064 -19.259 -19.259
  899   1HD   LYS  24          2HD       LYS  24   7.452 -17.951 -17.951
  900   2HD   LYS  24          1HD       LYS  24   9.098 -18.440 -18.440
  901   1HE   LYS  24          2HE       LYS  24   7.797 -20.745 -20.745
  902   2HE   LYS  24          1HE       LYS  24   6.755 -20.126 -20.126
  903   1HZ   LYS  24          1HZ       LYS  24   9.659 -19.913 -19.913
  904   2HZ   LYS  24          3HZ       LYS  24   8.951 -21.438 -21.438
  905   3HZ   LYS  24          2HZ       LYS  24   8.453 -20.122 -20.122
  906    H    HIS  25           H        HIS  25   6.317 -14.921 -14.921
  907    HA   HIS  25           HA       HIS  25   5.574 -13.384 -13.384
  908   1HB   HIS  25          2HB       HIS  25   6.951 -12.343 -12.343
  909   2HB   HIS  25          1HB       HIS  25   6.953 -11.645 -11.645
  910    HD1  HIS  25           HD1      HIS  25   9.402 -12.902 -12.902
  911    HD2  HIS  25           HD2      HIS  25   7.876 -14.335 -14.335
  912    HE1  HIS  25           HE1      HIS  25  11.212 -14.349 -14.349
  913    H    LYS  26           H        LYS  26   3.373 -14.338 -14.338
  914    HA   LYS  26           HA       LYS  26   2.139 -11.989 -11.989
  915   1HB   LYS  26          2HB       LYS  26   2.331 -14.795 -14.795
  916   2HB   LYS  26          1HB       LYS  26   1.118 -13.640 -13.640
  917   1HG   LYS  26          2HG       LYS  26   2.717 -12.981 -12.981
  918   2HG   LYS  26          1HG       LYS  26   3.403 -12.124 -12.124
  919   1HD   LYS  26          2HD       LYS  26   4.365 -14.678 -14.678
  920   2HD   LYS  26          1HD       LYS  26   4.386 -14.518 -14.518
  921   1HE   LYS  26          2HE       LYS  26   5.371 -12.080 -12.080
  922   2HE   LYS  26          1HE       LYS  26   6.289 -13.479 -13.479
  923   1HZ   LYS  26          3HZ       LYS  26   5.586 -13.214 -13.214
  924   2HZ   LYS  26          2HZ       LYS  26   6.981 -12.469 -12.469
  925   3HZ   LYS  26          1HZ       LYS  26   6.804 -14.157 -14.157
  926    H    LEU  27           H        LEU  27  -0.380 -12.682 -12.682
  927    HA   LEU  27           HA       LEU  27  -1.194 -14.354 -14.354
  928   1HB   LEU  27          2HB       LEU  27  -1.708 -11.444 -11.444
  929   2HB   LEU  27          1HB       LEU  27  -2.868 -12.375 -12.375
  930    HG   LEU  27           HG       LEU  27  -0.106 -12.860 -12.860
  931   1HD1  LEU  27          2HD1      LEU  27  -0.137 -10.387 -10.387
  932   2HD1  LEU  27          1HD1      LEU  27  -1.208 -10.117 -10.117
  933   3HD1  LEU  27          3HD1      LEU  27   0.427 -10.723 -10.723
  934   1HD2  LEU  27          2HD2      LEU  27  -2.767 -12.742 -12.742
  935   2HD2  LEU  27          1HD2      LEU  27  -1.313 -13.425 -13.425
  936   3HD2  LEU  27          3HD2      LEU  27  -1.703 -11.722 -11.722
  937    H    LYS  28           H        LYS  28  -3.764 -14.321 -14.321
  938    HA   LYS  28           HA       LYS  28  -4.789 -14.505 -14.505
  939   1HB   LYS  28          2HB       LYS  28  -3.917 -16.681 -16.681
  940   2HB   LYS  28          1HB       LYS  28  -5.493 -16.574 -16.574
  941   1HG   LYS  28          2HG       LYS  28  -6.620 -16.592 -16.592
  942   2HG   LYS  28          1HG       LYS  28  -5.065 -16.593 -16.593
  943   1HD   LYS  28          2HD       LYS  28  -5.274 -18.854 -18.854
  944   2HD   LYS  28          1HD       LYS  28  -4.799 -18.733 -18.733
  945   1HE   LYS  28          2HE       LYS  28  -6.825 -20.006 -20.006
  946   2HE   LYS  28          1HE       LYS  28  -7.322 -18.368 -18.368
  947   1HZ   LYS  28          2HZ       LYS  28  -7.227 -19.237 -19.237
  948   2HZ   LYS  28          1HZ       LYS  28  -8.620 -19.442 -19.442
  949   3HZ   LYS  28          3HZ       LYS  28  -8.017 -17.883 -17.883
  950    H    LYS  29           H        LYS  29  -7.114 -14.232 -14.232
  951    HA   LYS  29           HA       LYS  29  -8.354 -12.327 -12.327
  952   1HB   LYS  29          2HB       LYS  29  -9.379 -14.815 -14.815
  953   2HB   LYS  29          1HB       LYS  29 -10.490 -13.672 -13.672
  954   1HG   LYS  29          2HG       LYS  29  -9.856 -11.914 -11.914
  955   2HG   LYS  29          1HG       LYS  29  -8.381 -12.744 -12.744
  956   1HD   LYS  29          2HD       LYS  29  -9.979 -12.942 -12.942
  957   2HD   LYS  29          1HD       LYS  29  -9.836 -14.525 -14.525
  958   1HE   LYS  29          2HE       LYS  29 -11.862 -13.907 -13.907
  959   2HE   LYS  29          1HE       LYS  29 -12.071 -12.506 -12.506
  960   1HZ   LYS  29          3HZ       LYS  29 -11.575 -15.096 -15.096
  961   2HZ   LYS  29          2HZ       LYS  29 -13.113 -14.858 -14.858
  962   3HZ   LYS  29          1HZ       LYS  29 -12.546 -13.808 -13.808
  963    H    SER  30           H        SER  30  -7.775 -15.679 -15.679
  964    HA   SER  30           HA       SER  30  -9.575 -15.694 -15.694
  965   1HB   SER  30          2HB       SER  30  -8.921 -17.903 -17.903
  966   2HB   SER  30          1HB       SER  30  -8.372 -17.560 -17.560
  967    HG   SER  30           HG       SER  30  -6.825 -18.528 -18.528
  968    H    GLU  31           H        GLU  31  -5.984 -15.710 -15.710
  969    HA   GLU  31           HA       GLU  31  -5.415 -15.274 -15.274
  970   1HB   GLU  31          2HB       GLU  31  -3.959 -14.309 -14.309
  971   2HB   GLU  31          1HB       GLU  31  -3.246 -14.438 -14.438
  972   1HG   GLU  31          2HG       GLU  31  -3.981 -16.911 -16.911
  973   2HG   GLU  31          1HG       GLU  31  -4.199 -16.662 -16.662
  974    H    LEU  32           H        LEU  32  -6.383 -13.074 -13.074
  975    HA   LEU  32           HA       LEU  32  -5.786 -10.590 -10.590
  976   1HB   LEU  32          2HB       LEU  32  -7.265 -11.650 -11.650
  977   2HB   LEU  32          1HB       LEU  32  -8.060 -10.239 -10.239
  978    HG   LEU  32           HG       LEU  32  -6.360  -9.664  -9.664
  979   1HD1  LEU  32          1HD1      LEU  32  -6.842  -8.474  -8.474
  980   2HD1  LEU  32          3HD1      LEU  32  -5.084  -8.473  -8.473
  981   3HD1  LEU  32          2HD1      LEU  32  -6.078  -7.706  -7.706
  982   1HD2  LEU  32          1HD2      LEU  32  -4.510 -10.876 -10.876
  983   2HD2  LEU  32          3HD2      LEU  32  -4.712 -11.383 -11.383
  984   3HD2  LEU  32          2HD2      LEU  32  -3.951  -9.835  -9.835
  985    H    LYS  33           H        LYS  33  -8.856 -12.457 -12.457
  986    HA   LYS  33           HA       LYS  33 -10.487 -10.887 -10.887
  987   1HB   LYS  33          2HB       LYS  33 -11.434 -12.828 -12.828
  988   2HB   LYS  33          1HB       LYS  33 -10.111 -13.855 -13.855
  989   1HG   LYS  33          2HG       LYS  33 -12.257 -14.171 -14.171
  990   2HG   LYS  33          1HG       LYS  33 -10.878 -13.731 -13.731
  991   1HD   LYS  33          2HD       LYS  33 -12.549 -12.282 -12.282
  992   2HD   LYS  33          1HD       LYS  33 -11.698 -11.272 -11.272
  993   1HE   LYS  33          2HE       LYS  33 -13.380 -11.772 -11.772
  994   2HE   LYS  33          1HE       LYS  33 -14.213 -12.875 -12.875
  995   1HZ   LYS  33          1HZ       LYS  33 -13.957 -10.707 -10.707
  996   2HZ   LYS  33          3HZ       LYS  33 -14.117  -9.971  -9.971
  997   3HZ   LYS  33          2HZ       LYS  33 -15.329 -11.017 -11.017
  998    H    GLU  34           H        GLU  34  -7.977 -13.223 -13.223
  999    HA   GLU  34           HA       GLU  34  -8.311 -13.038 -13.038
 1000   1HB   GLU  34          2HB       GLU  34  -6.709 -14.361 -14.361
 1001   2HB   GLU  34          1HB       GLU  34  -5.561 -13.338 -13.338
 1002   1HG   GLU  34          2HG       GLU  34  -5.700 -15.414 -15.414
 1003   2HG   GLU  34          1HG       GLU  34  -6.591 -14.216 -14.216
 1004    H    LEU  35           H        LEU  35  -6.162 -11.309 -11.309
 1005    HA   LEU  35           HA       LEU  35  -4.788  -9.662  -9.662
 1006   1HB   LEU  35          2HB       LEU  35  -4.866 -10.078 -10.078
 1007   2HB   LEU  35          1HB       LEU  35  -5.652  -8.500  -8.500
 1008    HG   LEU  35           HG       LEU  35  -3.280  -8.736  -8.736
 1009   1HD1  LEU  35          1HD1      LEU  35  -2.928 -10.021 -10.021
 1010   2HD1  LEU  35          3HD1      LEU  35  -2.571  -8.366  -8.366
 1011   3HD1  LEU  35          2HD1      LEU  35  -1.647  -9.113  -9.113
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.837  -6.735  -6.735
 1013   2HD2  LEU  35          3HD2      LEU  35  -3.158  -6.499  -6.499
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.559  -6.698  -6.698
 1015    H    ILE  36           H        ILE  36  -8.011  -9.241  -9.241
 1016    HA   ILE  36           HA       ILE  36  -8.297  -6.601  -6.601
 1017    HB   ILE  36           HB       ILE  36  -9.777  -8.355  -8.355
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.736  -6.354  -6.354
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.256  -5.370  -5.370
 1020   1HG2  ILE  36          2HG2      ILE  36 -11.054  -6.494  -6.494
 1021   2HG2  ILE  36          1HG2      ILE  36 -11.564  -6.342  -6.342
 1022   3HG2  ILE  36          3HG2      ILE  36 -11.736  -7.886  -7.886
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.601  -7.668  -7.668
 1024   2HD1  ILE  36          2HD1      ILE  36  -7.352  -5.985  -5.985
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.119  -6.477  -6.477
 1026    H    ASN  37           H        ASN  37  -9.102  -9.948  -9.948
 1027    HA   ASN  37           HA       ASN  37 -11.116  -9.306  -9.306
 1028   1HB   ASN  37          2HB       ASN  37 -11.726 -11.162 -11.162
 1029   2HB   ASN  37          1HB       ASN  37 -10.061 -11.681 -11.681
 1030   1HD2  ASN  37          2HD2      ASN  37 -10.583 -14.125 -14.125
 1031   2HD2  ASN  37          1HD2      ASN  37 -10.124 -13.792 -13.792
 1032    H    ASN  38           H        ASN  38  -7.740 -10.352 -10.352
 1033    HA   ASN  38           HA       ASN  38  -7.596 -10.988 -10.988
 1034   1HB   ASN  38          2HB       ASN  38  -5.808 -10.976 -10.976
 1035   2HB   ASN  38          1HB       ASN  38  -5.067 -11.036 -11.036
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.528 -14.575 -14.575
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.428 -13.313 -13.313
 1038    H    GLU  39           H        GLU  39  -7.517  -8.130  -8.130
 1039    HA   GLU  39           HA       GLU  39  -6.117  -6.678  -6.678
 1040   1HB   GLU  39          2HB       GLU  39  -5.642  -6.689  -6.689
 1041   2HB   GLU  39          1HB       GLU  39  -5.189  -5.294  -5.294
 1042   1HG   GLU  39          2HG       GLU  39  -3.337  -6.357  -6.357
 1043   2HG   GLU  39          1HG       GLU  39  -4.317  -7.682  -7.682
 1044    H    LEU  40           H        LEU  40  -8.146  -6.376  -6.376
 1045    HA   LEU  40           HA       LEU  40  -9.279  -3.830  -3.830
 1046   1HB   LEU  40          2HB       LEU  40  -9.942  -5.192  -5.192
 1047   2HB   LEU  40          1HB       LEU  40  -9.931  -3.467  -3.467
 1048    HG   LEU  40           HG       LEU  40  -7.498  -5.267  -5.267
 1049   1HD1  LEU  40          2HD1      LEU  40  -8.956  -3.601  -3.601
 1050   2HD1  LEU  40          1HD1      LEU  40  -7.269  -3.112  -3.112
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.669  -4.769  -4.769
 1052   1HD2  LEU  40          3HD2      LEU  40  -7.555  -3.306  -3.306
 1053   2HD2  LEU  40          2HD2      LEU  40  -6.177  -3.424  -3.424
 1054   3HD2  LEU  40          1HD2      LEU  40  -7.468  -2.269  -2.269
 1055    H    SER  41           H        SER  41 -10.336  -5.301  -5.301
 1056    HA   SER  41           HA       SER  41 -12.545  -7.016  -7.016
 1057   1HB   SER  41          2HB       SER  41 -12.094  -5.759  -5.759
 1058   2HB   SER  41          1HB       SER  41 -12.796  -7.332  -7.332
 1059    HG   SER  41           HG       SER  41 -10.850  -8.147  -8.147
 1060    H    HIS  42           H        HIS  42 -12.149  -3.610  -3.610
 1061    HA   HIS  42           HA       HIS  42 -14.828  -2.923  -2.923
 1062   1HB   HIS  42          2HB       HIS  42 -12.396  -1.621  -1.621
 1063   2HB   HIS  42          1HB       HIS  42 -13.911  -0.758  -0.758
 1064    HD1  HIS  42           HD1      HIS  42 -11.913  -2.296  -2.296
 1065    HD2  HIS  42           HD2      HIS  42 -14.880   0.570   0.570
 1066    HE1  HIS  42           HE1      HIS  42 -12.292  -1.168  -1.168
 1067    H    PHE  43           H        PHE  43 -13.466  -1.923  -1.923
 1068    HA   PHE  43           HA       PHE  43 -15.979  -1.829  -1.829
 1069   1HB   PHE  43          2HB       PHE  43 -14.623  -0.807  -0.807
 1070   2HB   PHE  43          1HB       PHE  43 -13.240  -1.290  -1.290
 1071    HD1  PHE  43           HD1      PHE  43 -15.594  -2.659  -2.659
 1072    HD2  PHE  43           HD2      PHE  43 -11.628  -2.660  -2.660
 1073    HE1  PHE  43           HE1      PHE  43 -14.832  -4.164  -4.164
 1074    HE2  PHE  43           HE2      PHE  43 -10.868  -4.170  -4.170
 1075    HZ   PHE  43           HZ       PHE  43 -12.472  -4.923  -4.923
 1076    H    LEU  44           H        LEU  44 -14.157  -4.565  -4.565
 1077    HA   LEU  44           HA       LEU  44 -14.522  -6.480  -6.480
 1078   1HB   LEU  44          2HB       LEU  44 -13.611  -6.577  -6.577
 1079   2HB   LEU  44          1HB       LEU  44 -15.272  -7.004  -7.004
 1080    HG   LEU  44           HG       LEU  44 -15.203  -8.882  -8.882
 1081   1HD1  LEU  44          3HD1      LEU  44 -12.884  -7.427  -7.427
 1082   2HD1  LEU  44          2HD1      LEU  44 -12.450  -9.101  -9.101
 1083   3HD1  LEU  44          1HD1      LEU  44 -13.746  -8.754  -8.754
 1084   1HD2  LEU  44          3HD2      LEU  44 -13.444  -8.578  -8.578
 1085   2HD2  LEU  44          2HD2      LEU  44 -14.486  -9.931  -9.931
 1086   3HD2  LEU  44          1HD2      LEU  44 -12.861  -9.812  -9.812
 1087    H    GLU  45           H        GLU  45 -16.819  -5.089  -5.089
 1088    HA   GLU  45           HA       GLU  45 -19.121  -6.682  -6.682
 1089   1HB   GLU  45          2HB       GLU  45 -18.310  -4.285  -4.285
 1090   2HB   GLU  45          1HB       GLU  45 -19.797  -3.945  -3.945
 1091   1HG   GLU  45          2HG       GLU  45 -20.891  -4.932  -4.932
 1092   2HG   GLU  45          1HG       GLU  45 -20.265  -6.459  -6.459
 1093    H    GLU  46           H        GLU  46 -17.612  -3.993  -3.993
 1094    HA   GLU  46           HA       GLU  46 -17.897  -3.103  -3.103
 1095   1HB   GLU  46          2HB       GLU  46 -18.398  -5.806  -5.806
 1096   2HB   GLU  46          1HB       GLU  46 -19.857  -5.154  -5.154
 1097   1HG   GLU  46          2HG       GLU  46 -18.753  -4.589  -4.589
 1098   2HG   GLU  46          1HG       GLU  46 -17.431  -3.856  -3.856
 1099    H    ILE  47           H        ILE  47 -21.054  -4.520  -4.520
 1100    HA   ILE  47           HA       ILE  47 -22.908  -2.909  -2.909
 1101    HB   ILE  47           HB       ILE  47 -23.186  -4.761  -4.761
 1102   1HG1  ILE  47          2HG1      ILE  47 -25.266  -3.915  -3.915
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.722  -2.248  -2.248
 1104   1HG2  ILE  47          2HG2      ILE  47 -21.560  -3.735  -3.735
 1105   2HG2  ILE  47          1HG2      ILE  47 -22.766  -2.501  -2.501
 1106   3HG2  ILE  47          3HG2      ILE  47 -23.095  -4.190  -4.190
 1107   1HD1  ILE  47          3HD1      ILE  47 -24.680  -3.939  -3.939
 1108   2HD1  ILE  47          2HD1      ILE  47 -26.270  -3.489  -3.489
 1109   3HD1  ILE  47          1HD1      ILE  47 -25.105  -2.238  -2.238
 1110    H    LYS  48           H        LYS  48 -20.925  -2.017  -2.017
 1111    HA   LYS  48           HA       LYS  48 -22.063   0.394   0.394
 1112   1HB   LYS  48          2HB       LYS  48 -19.417  -0.884  -0.884
 1113   2HB   LYS  48          1HB       LYS  48 -19.330   0.876   0.876
 1114   1HG   LYS  48          2HG       LYS  48 -19.474   0.332   0.332
 1115   2HG   LYS  48          1HG       LYS  48 -21.164   0.629   0.629
 1116   1HD   LYS  48          2HD       LYS  48 -21.650  -1.458  -1.458
 1117   2HD   LYS  48          1HD       LYS  48 -20.660  -2.083  -2.083
 1118   1HE   LYS  48          2HE       LYS  48 -19.724  -3.030  -3.030
 1119   2HE   LYS  48          1HE       LYS  48 -18.641  -1.687  -1.687
 1120   1HZ   LYS  48          1HZ       LYS  48 -20.953  -1.510  -1.510
 1121   2HZ   LYS  48          3HZ       LYS  48 -19.325  -1.580  -1.580
 1122   3HZ   LYS  48          2HZ       LYS  48 -19.899  -0.240  -0.240
 1123    H    GLU  49           H        GLU  49 -20.463  -0.351  -0.351
 1124    HA   GLU  49           HA       GLU  49 -20.966   2.442   2.442
 1125   1HB   GLU  49          2HB       GLU  49 -18.678   2.177   2.177
 1126   2HB   GLU  49          1HB       GLU  49 -18.657   2.462   2.462
 1127   1HG   GLU  49          2HG       GLU  49 -18.427   0.047   0.047
 1128   2HG   GLU  49          1HG       GLU  49 -18.477  -0.259  -0.259
 1129    H    GLN  50           H        GLN  50 -22.744   1.560   1.560
 1130    HA   GLN  50           HA       GLN  50 -22.771  -0.710  -0.710
 1131   1HB   GLN  50          2HB       GLN  50 -24.035   2.030   2.030
 1132   2HB   GLN  50          1HB       GLN  50 -24.425   0.780   0.780
 1133   1HG   GLN  50          2HG       GLN  50 -24.527  -0.382  -0.382
 1134   2HG   GLN  50          1HG       GLN  50 -25.490   1.095   1.095
 1135   1HE2  GLN  50          2HE2      GLN  50 -26.556  -1.688  -1.688
 1136   2HE2  GLN  50          1HE2      GLN  50 -24.910  -1.382  -1.382
 1137    H    GLU  51           H        GLU  51 -22.415   2.566   2.566
 1138    HA   GLU  51           HA       GLU  51 -21.484   1.997   1.997
 1139   1HB   GLU  51          2HB       GLU  51 -21.853   4.248   4.248
 1140   2HB   GLU  51          1HB       GLU  51 -20.435   4.088   4.088
 1141   1HG   GLU  51          2HG       GLU  51 -19.125   3.612   3.612
 1142   2HG   GLU  51          1HG       GLU  51 -20.538   4.252   4.252
 1143    H    VAL  52           H        VAL  52 -19.491   1.938   1.938
 1144    HA   VAL  52           HA       VAL  52 -17.015   1.382   1.382
 1145    HB   VAL  52           HB       VAL  52 -17.825   0.845   0.845
 1146   1HG1  VAL  52          3HG1      VAL  52 -15.288   0.771   0.771
 1147   2HG1  VAL  52          2HG1      VAL  52 -15.208   1.574   1.574
 1148   3HG1  VAL  52          1HG1      VAL  52 -15.741  -0.101  -0.101
 1149   1HG2  VAL  52          1HG2      VAL  52 -18.193   3.220   3.220
 1150   2HG2  VAL  52          3HG2      VAL  52 -17.213   3.085   3.085
 1151   3HG2  VAL  52          2HG2      VAL  52 -16.436   3.311   3.311
 1152    H    VAL  53           H        VAL  53 -19.309  -0.664  -0.664
 1153    HA   VAL  53           HA       VAL  53 -18.091  -3.168  -3.168
 1154    HB   VAL  53           HB       VAL  53 -21.013  -2.384  -2.384
 1155   1HG1  VAL  53          3HG1      VAL  53 -19.702  -4.932  -4.932
 1156   2HG1  VAL  53          2HG1      VAL  53 -20.683  -4.902  -4.902
 1157   3HG1  VAL  53          1HG1      VAL  53 -21.427  -4.577  -4.577
 1158   1HG2  VAL  53          3HG2      VAL  53 -19.209  -2.294  -2.294
 1159   2HG2  VAL  53          2HG2      VAL  53 -20.908  -1.827  -1.827
 1160   3HG2  VAL  53          1HG2      VAL  53 -20.466  -3.493  -3.493
 1161    H    ASP  54           H        ASP  54 -19.733  -1.159  -1.159
 1162    HA   ASP  54           HA       ASP  54 -19.819  -3.140  -3.140
 1163   1HB   ASP  54          2HB       ASP  54 -21.364  -1.388  -1.388
 1164   2HB   ASP  54          1HB       ASP  54 -20.201  -0.175  -0.175
 1165    H    LYS  55           H        LYS  55 -17.597  -0.543  -0.543
 1166    HA   LYS  55           HA       LYS  55 -15.770  -0.973  -0.973
 1167   1HB   LYS  55          2HB       LYS  55 -15.262   0.386   0.386
 1168   2HB   LYS  55          1HB       LYS  55 -14.409   0.670   0.670
 1169   1HG   LYS  55          2HG       LYS  55 -17.177   1.517   1.517
 1170   2HG   LYS  55          1HG       LYS  55 -15.887   2.482   2.482
 1171   1HD   LYS  55          2HD       LYS  55 -16.294   0.623   0.623
 1172   2HD   LYS  55          1HD       LYS  55 -17.927   0.824   0.824
 1173   1HE   LYS  55          2HE       LYS  55 -18.102   2.954   2.954
 1174   2HE   LYS  55          1HE       LYS  55 -16.425   3.350   3.350
 1175   1HZ   LYS  55          1HZ       LYS  55 -15.737   1.817   1.817
 1176   2HZ   LYS  55          3HZ       LYS  55 -17.359   1.737   1.737
 1177   3HZ   LYS  55          2HZ       LYS  55 -16.532   3.220   3.220
 1178    H    VAL  56           H        VAL  56 -15.401  -1.425  -1.425
 1179    HA   VAL  56           HA       VAL  56 -13.090  -2.862  -2.862
 1180    HB   VAL  56           HB       VAL  56 -15.812  -3.363  -3.363
 1181   1HG1  VAL  56          1HG1      VAL  56 -13.678  -5.097  -5.097
 1182   2HG1  VAL  56          3HG1      VAL  56 -13.391  -4.065  -4.065
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.914  -4.941  -4.941
 1184   1HG2  VAL  56          3HG2      VAL  56 -13.441  -1.606  -1.606
 1185   2HG2  VAL  56          2HG2      VAL  56 -15.151  -1.184  -1.184
 1186   3HG2  VAL  56          1HG2      VAL  56 -14.513  -2.118  -2.118
 1187    H    MET  57           H        MET  57 -16.211  -4.198  -4.198
 1188    HA   MET  57           HA       MET  57 -15.115  -6.887  -6.887
 1189   1HB   MET  57          2HB       MET  57 -17.691  -5.484  -5.484
 1190   2HB   MET  57          1HB       MET  57 -17.401  -7.201  -7.201
 1191   1HG   MET  57          2HG       MET  57 -17.308  -5.824  -5.824
 1192   2HG   MET  57          1HG       MET  57 -18.621  -6.849  -6.849
 1193   1HE   MET  57          1HE       MET  57 -18.080  -8.928  -8.928
 1194   2HE   MET  57          3HE       MET  57 -16.368  -9.168  -9.168
 1195   3HE   MET  57          2HE       MET  57 -17.186 -10.245 -10.245
 1196    H    GLU  58           H        GLU  58 -15.643  -4.027  -4.027
 1197    HA   GLU  58           HA       GLU  58 -15.446  -5.270  -5.270
 1198   1HB   GLU  58          2HB       GLU  58 -15.531  -3.091  -3.091
 1199   2HB   GLU  58          1HB       GLU  58 -15.963  -2.795  -2.795
 1200   1HG   GLU  58          2HG       GLU  58 -13.559  -2.363  -2.363
 1201   2HG   GLU  58          1HG       GLU  58 -13.183  -2.576  -2.576
 1202    H    THR  59           H        THR  59 -12.915  -3.977  -3.977
 1203    HA   THR  59           HA       THR  59 -10.762  -4.613  -4.613
 1204    HB   THR  59           HB       THR  59 -10.988  -3.683  -3.683
 1205    HG1  THR  59           HG1      THR  59  -9.624  -2.014  -2.014
 1206   1HG2  THR  59          3HG2      THR  59  -8.514  -4.451  -4.451
 1207   2HG2  THR  59          2HG2      THR  59  -8.462  -3.349  -3.349
 1208   3HG2  THR  59          1HG2      THR  59  -9.006  -5.013  -5.013
 1209    H    LEU  60           H        LEU  60 -12.022  -6.020  -6.020
 1210    HA   LEU  60           HA       LEU  60 -10.131  -8.076  -8.076
 1211   1HB   LEU  60          2HB       LEU  60 -12.588  -7.230  -7.230
 1212   2HB   LEU  60          1HB       LEU  60 -12.895  -8.881  -8.881
 1213    HG   LEU  60           HG       LEU  60 -10.701  -7.981  -7.981
 1214   1HD1  LEU  60          3HD1      LEU  60 -13.308  -9.448  -9.448
 1215   2HD1  LEU  60          2HD1      LEU  60 -11.985  -9.780  -9.780
 1216   3HD1  LEU  60          1HD1      LEU  60 -12.646  -8.151  -8.151
 1217   1HD2  LEU  60          3HD2      LEU  60 -10.557 -10.059 -10.059
 1218   2HD2  LEU  60          2HD2      LEU  60  -9.647  -9.969  -9.969
 1219   3HD2  LEU  60          1HD2      LEU  60 -11.168 -10.859 -10.859
 1220    H    ASP  61           H        ASP  61 -12.914  -7.949  -7.949
 1221    HA   ASP  61           HA       ASP  61 -12.827 -10.723 -10.723
 1222   1HB   ASP  61          2HB       ASP  61 -14.598  -8.754  -8.754
 1223   2HB   ASP  61          1HB       ASP  61 -13.779  -8.503  -8.503
 1224    H    SER  62           H        SER  62 -11.443  -7.730  -7.730
 1225    HA   SER  62           HA       SER  62 -10.063  -9.241  -9.241
 1226   1HB   SER  62          2HB       SER  62  -9.323  -6.463  -6.463
 1227   2HB   SER  62          1HB       SER  62 -10.236  -7.244  -7.244
 1228    HG   SER  62           HG       SER  62 -12.102  -6.880  -6.880
 1229    H    ASP  63           H        ASP  63  -9.006  -6.829  -6.829
 1230    HA   ASP  63           HA       ASP  63  -6.843  -6.522  -6.522
 1231   1HB   ASP  63          2HB       ASP  63  -8.244  -8.208  -8.208
 1232   2HB   ASP  63          1HB       ASP  63  -7.314  -9.474  -9.474
 1233    H    GLY  64           H        GLY  64  -5.515  -9.515  -9.515
 1234   1HA   GLY  64          2HA       GLY  64  -3.779  -8.881  -8.881
 1235   2HA   GLY  64          1HA       GLY  64  -3.424 -10.070 -10.070
 1236    H    ASP  65           H        ASP  65  -6.592 -10.505 -10.505
 1237    HA   ASP  65           HA       ASP  65  -7.740 -12.217 -12.217
 1238   1HB   ASP  65          2HB       ASP  65  -7.429 -10.757 -10.757
 1239   2HB   ASP  65          1HB       ASP  65  -5.724 -11.188 -11.188
 1240    H    GLY  66           H        GLY  66  -6.337 -13.545 -13.545
 1241   1HA   GLY  66          2HA       GLY  66  -5.727 -15.898 -15.898
 1242   2HA   GLY  66          1HA       GLY  66  -5.027 -15.718 -15.718
 1243    H    GLU  67           H        GLU  67  -3.776 -13.085 -13.085
 1244    HA   GLU  67           HA       GLU  67  -1.732 -14.165 -14.165
 1245   1HB   GLU  67          2HB       GLU  67  -1.077 -14.753 -14.753
 1246   2HB   GLU  67          1HB       GLU  67  -1.134 -13.042 -13.042
 1247   1HG   GLU  67          2HG       GLU  67   1.011 -12.883 -12.883
 1248   2HG   GLU  67          1HG       GLU  67   0.454 -13.165 -13.165
 1249    H    CYS  68           H        CYS  68  -2.540 -12.496 -12.496
 1250    HA   CYS  68           HA       CYS  68  -2.351  -9.675  -9.675
 1251   1HB   CYS  68          2HB       CYS  68  -2.953 -10.866 -10.866
 1252   2HB   CYS  68          1HB       CYS  68  -3.373  -9.251  -9.251
 1253    HG   CYS  68           HG       CYS  68  -5.462 -10.877 -10.877
 1254    H    ASP  69           H        ASP  69  -0.158  -9.178  -9.178
 1255    HA   ASP  69           HA       ASP  69   1.789  -9.942  -9.942
 1256   1HB   ASP  69          2HB       ASP  69   1.897  -8.379  -8.379
 1257   2HB   ASP  69          1HB       ASP  69   3.311  -8.770  -8.770
 1258    H    PHE  70           H        PHE  70   3.407  -8.065  -8.065
 1259    HA   PHE  70           HA       PHE  70   2.746  -6.373  -6.373
 1260   1HB   PHE  70          2HB       PHE  70   4.554  -5.973  -5.973
 1261   2HB   PHE  70          1HB       PHE  70   4.471  -4.770  -4.770
 1262    HD1  PHE  70           HD1      PHE  70   5.156  -8.351  -8.351
 1263    HD2  PHE  70           HD2      PHE  70   5.453  -5.149  -5.149
 1264    HE1  PHE  70           HE1      PHE  70   6.562  -9.771  -9.771
 1265    HE2  PHE  70           HE2      PHE  70   6.883  -6.581  -6.581
 1266    HZ   PHE  70           HZ       PHE  70   7.398  -8.881  -8.881
 1267    H    GLN  71           H        GLN  71   3.049  -4.790  -4.790
 1268    HA   GLN  71           HA       GLN  71   1.644  -2.479  -2.479
 1269   1HB   GLN  71          2HB       GLN  71   1.012  -2.711  -2.711
 1270   2HB   GLN  71          1HB       GLN  71   2.722  -2.810  -2.810
 1271   1HG   GLN  71          2HG       GLN  71   2.819  -5.124  -5.124
 1272   2HG   GLN  71          1HG       GLN  71   1.077  -5.322  -5.322
 1273   1HE2  GLN  71          2HE2      GLN  71   0.798  -5.434  -5.434
 1274   2HE2  GLN  71          1HE2      GLN  71   0.529  -6.230  -6.230
 1275    H    GLU  72           H        GLU  72   0.331  -5.699  -5.699
 1276    HA   GLU  72           HA       GLU  72  -2.453  -4.821  -4.821
 1277   1HB   GLU  72          2HB       GLU  72  -1.490  -7.567  -7.567
 1278   2HB   GLU  72          1HB       GLU  72  -2.860  -7.119  -7.119
 1279   1HG   GLU  72          2HG       GLU  72  -0.791  -5.969  -5.969
 1280   2HG   GLU  72          1HG       GLU  72  -0.003  -7.409  -7.409
 1281    H    PHE  73           H        PHE  73  -0.507  -6.442  -6.442
 1282    HA   PHE  73           HA       PHE  73  -2.563  -6.449  -6.449
 1283   1HB   PHE  73          2HB       PHE  73  -0.565  -7.648  -7.648
 1284   2HB   PHE  73          1HB       PHE  73   0.455  -6.264  -6.264
 1285    HD1  PHE  73           HD1      PHE  73  -2.599  -5.743  -5.743
 1286    HD2  PHE  73           HD2      PHE  73   1.613  -6.495  -6.495
 1287    HE1  PHE  73           HE1      PHE  73  -2.606  -5.008  -5.008
 1288    HE2  PHE  73           HE2      PHE  73   1.612  -5.774  -5.774
 1289    HZ   PHE  73           HZ       PHE  73  -0.508  -5.028  -5.028
 1290    H    MET  74           H        MET  74  -0.094  -3.962  -3.962
 1291    HA   MET  74           HA       MET  74  -1.118  -2.048  -2.048
 1292   1HB   MET  74          2HB       MET  74   0.576  -1.731  -1.731
 1293   2HB   MET  74          1HB       MET  74   0.462  -0.561  -0.561
 1294   1HG   MET  74          2HG       MET  74   1.304  -3.420  -3.420
 1295   2HG   MET  74          1HG       MET  74   2.472  -2.175  -2.175
 1296   1HE   MET  74          3HE       MET  74   3.507  -0.677  -0.677
 1297   2HE   MET  74          2HE       MET  74   2.109   0.396   0.396
 1298   3HE   MET  74          1HE       MET  74   2.940   0.029   0.029
 1299    H    ALA  75           H        ALA  75  -1.894  -2.914  -2.914
 1300    HA   ALA  75           HA       ALA  75  -3.320  -0.506  -0.506
 1301   1HB   ALA  75          2HB       ALA  75  -3.121  -3.356  -3.356
 1302   2HB   ALA  75          1HB       ALA  75  -4.391  -2.341  -2.341
 1303   3HB   ALA  75          3HB       ALA  75  -2.700  -1.886  -1.886
 1304    H    PHE  76           H        PHE  76  -4.893  -3.656  -3.656
 1305    HA   PHE  76           HA       PHE  76  -7.466  -2.916  -2.916
 1306   1HB   PHE  76          2HB       PHE  76  -6.633  -5.210  -5.210
 1307   2HB   PHE  76          1HB       PHE  76  -5.885  -5.181  -5.181
 1308    HD1  PHE  76           HD1      PHE  76  -9.207  -4.047  -4.047
 1309    HD2  PHE  76           HD2      PHE  76  -7.073  -6.495  -6.495
 1310    HE1  PHE  76           HE1      PHE  76 -11.360  -4.765  -4.765
 1311    HE2  PHE  76           HE2      PHE  76  -9.221  -7.220  -7.220
 1312    HZ   PHE  76           HZ       PHE  76 -11.366  -6.353  -6.353
 1313    H    VAL  77           H        VAL  77  -5.052  -3.680  -3.680
 1314    HA   VAL  77           HA       VAL  77  -6.586  -2.947  -2.947
 1315    HB   VAL  77           HB       VAL  77  -4.118  -3.800  -3.800
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.468  -1.636  -1.636
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.563  -0.845  -0.845
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.398  -2.141  -2.141
 1319   1HG2  VAL  77          3HG2      VAL  77  -4.919  -1.801  -1.801
 1320   2HG2  VAL  77          2HG2      VAL  77  -5.217  -3.541  -3.541
 1321   3HG2  VAL  77          1HG2      VAL  77  -3.567  -2.926  -2.926
 1322    H    ALA  78           H        ALA  78  -4.951  -0.907  -0.907
 1323    HA   ALA  78           HA       ALA  78  -5.588   1.610   1.610
 1324   1HB   ALA  78          1HB       ALA  78  -3.577   1.213   1.213
 1325   2HB   ALA  78          3HB       ALA  78  -4.620   1.004   1.004
 1326   3HB   ALA  78          2HB       ALA  78  -4.537   2.568   2.568
 1327    H    MET  79           H        MET  79  -6.726   0.035   0.035
 1328    HA   MET  79           HA       MET  79  -8.613   1.867   1.867
 1329   1HB   MET  79          2HB       MET  79  -8.144  -1.023  -1.023
 1330   2HB   MET  79          1HB       MET  79  -9.855  -0.623  -0.623
 1331   1HG   MET  79          2HG       MET  79  -8.051   1.080   1.080
 1332   2HG   MET  79          1HG       MET  79  -8.114  -0.610  -0.610
 1333   1HE   MET  79          3HE       MET  79 -10.367   2.278   2.278
 1334   2HE   MET  79          2HE       MET  79  -9.610   2.776   2.776
 1335   3HE   MET  79          1HE       MET  79 -11.358   2.581   2.581
 1336    H    ILE  80           H        ILE  80  -9.337  -0.796  -0.796
 1337    HA   ILE  80           HA       ILE  80 -11.949   0.112   0.112
 1338    HB   ILE  80           HB       ILE  80  -9.998  -1.210  -1.210
 1339   1HG1  ILE  80          2HG1      ILE  80 -11.421  -2.581  -2.581
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.678  -2.333  -2.333
 1341   1HG2  ILE  80          3HG2      ILE  80 -12.798  -0.738  -0.738
 1342   2HG2  ILE  80          2HG2      ILE  80 -12.566  -2.478  -2.478
 1343   3HG2  ILE  80          1HG2      ILE  80 -11.877  -1.641  -1.641
 1344   1HD1  ILE  80          1HD1      ILE  80 -10.417  -3.442  -3.442
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.304  -4.372  -4.372
 1346   3HD1  ILE  80          2HD1      ILE  80  -9.546  -4.248  -4.248
 1347    H    THR  81           H        THR  81  -8.870   0.275   0.275
 1348    HA   THR  81           HA       THR  81  -9.238   1.801   1.801
 1349    HB   THR  81           HB       THR  81  -7.211   1.570   1.570
 1350    HG1  THR  81           HG1      THR  81  -6.547   0.384   0.384
 1351   1HG2  THR  81          2HG2      THR  81  -7.058   3.870   3.870
 1352   2HG2  THR  81          1HG2      THR  81  -5.723   3.303   3.303
 1353   3HG2  THR  81          3HG2      THR  81  -7.150   3.996   3.996
 1354    H    THR  82           H        THR  82  -9.204   3.108   3.108
 1355    HA   THR  82           HA       THR  82  -9.718   5.848   5.848
 1356    HB   THR  82           HB       THR  82 -10.391   5.315   5.315
 1357    HG1  THR  82           HG1      THR  82  -8.256   4.612   4.612
 1358   1HG2  THR  82          1HG2      THR  82  -8.663   7.086   7.086
 1359   2HG2  THR  82          3HG2      THR  82  -8.064   6.739   6.739
 1360   3HG2  THR  82          2HG2      THR  82  -9.658   7.465   7.465
 1361    H    ALA  83           H        ALA  83 -11.650   3.247   3.247
 1362    HA   ALA  83           HA       ALA  83 -14.137   4.762   4.762
 1363   1HB   ALA  83          3HB       ALA  83 -13.437   2.776   2.776
 1364   2HB   ALA  83          2HB       ALA  83 -13.727   1.764   1.764
 1365   3HB   ALA  83          1HB       ALA  83 -15.052   2.678   2.678
 1366    H    CYS  84           H        CYS  84 -12.266   3.010   3.010
 1367    HA   CYS  84           HA       CYS  84 -14.136   1.938   1.938
 1368   1HB   CYS  84          2HB       CYS  84 -11.774   1.581   1.581
 1369   2HB   CYS  84          1HB       CYS  84 -11.449   3.313   3.313
 1370    HG   CYS  84           HG       CYS  84 -11.807   3.083   3.083
 1371    H    HIS  85           H        HIS  85 -12.518   4.708   4.708
 1372    HA   HIS  85           HA       HIS  85 -14.823   6.494   6.494
 1373   1HB   HIS  85          2HB       HIS  85 -15.599   4.704   4.704
 1374   2HB   HIS  85          1HB       HIS  85 -14.170   4.923   4.923
 1375    HD1  HIS  85           HD1      HIS  85 -17.551   6.265   6.265
 1376    HD2  HIS  85           HD2      HIS  85 -14.102   7.532   7.532
 1377    HE1  HIS  85           HE1      HIS  85 -18.242   8.196   8.196
 1378    H    GLU  86           H        GLU  86 -12.989   6.261   6.261
 1379    HA   GLU  86           HA       GLU  86 -11.993   8.849   8.849
 1380   1HB   GLU  86          2HB       GLU  86 -11.650   6.421   6.421
 1381   2HB   GLU  86          1HB       GLU  86 -10.019   6.927   6.927
 1382   1HG   GLU  86          2HG       GLU  86 -11.093   9.296   9.296
 1383   2HG   GLU  86          1HG       GLU  86 -11.918   8.150   8.150
 1384    H    PHE  87           H        PHE  87 -10.092   6.025   6.025
 1385    HA   PHE  87           HA       PHE  87  -9.186   7.390   7.390
 1386   1HB   PHE  87          2HB       PHE  87  -7.906   8.073   8.073
 1387   2HB   PHE  87          1HB       PHE  87  -6.759   7.147   7.147
 1388    HD1  PHE  87           HD2      PHE  87  -9.366   8.972   8.972
 1389    HD2  PHE  87           HD1      PHE  87  -5.351   9.248   9.248
 1390    HE1  PHE  87           HE2      PHE  87  -8.932  10.881  10.881
 1391    HE2  PHE  87           HE1      PHE  87  -4.947  11.218  11.218
 1392    HZ   PHE  87           HZ       PHE  87  -6.731  12.036  12.036
 1393    H    PHE  88           H        PHE  88  -8.139   4.867   4.867
 1394    HA   PHE  88           HA       PHE  88  -7.517   3.189   3.189
 1395   1HB   PHE  88          2HB       PHE  88  -6.288   3.453   3.453
 1396   2HB   PHE  88          1HB       PHE  88  -6.278   1.866   1.866
 1397    HD1  PHE  88           HD1      PHE  88  -6.138   5.014   5.014
 1398    HD2  PHE  88           HD2      PHE  88  -3.891   1.756   1.756
 1399    HE1  PHE  88           HE1      PHE  88  -4.161   5.671   5.671
 1400    HE2  PHE  88           HE2      PHE  88  -1.938   2.400   2.400
 1401    HZ   PHE  88           HZ       PHE  88  -2.074   4.360   4.360
 1402    H    GLU  89           H        GLU  89  -7.773   0.742   0.742
 1403    HA   GLU  89           HA       GLU  89 -10.559   0.285   0.285
 1404   1HB   GLU  89          2HB       GLU  89  -8.131  -1.516  -1.516
 1405   2HB   GLU  89          1HB       GLU  89  -9.792  -2.109  -2.109
 1406   1HG   GLU  89          2HG       GLU  89 -10.259  -1.358  -1.358
 1407   2HG   GLU  89          1HG       GLU  89  -9.132  -0.009  -0.009
 1408    H    HIS  90           H        HIS  90 -10.813   1.261   1.261
 1409    HA   HIS  90           HA       HIS  90 -10.337  -0.762  -0.762
 1410   1HB   HIS  90          2HB       HIS  90  -9.410   1.185   1.185
 1411   2HB   HIS  90          1HB       HIS  90  -8.336   0.490   0.490
 1412    HD1  HIS  90           HD1      HIS  90 -11.151   2.985   2.985
 1413    HD2  HIS  90           HD2      HIS  90  -7.003   2.756   2.756
 1414    HE1  HIS  90           HE1      HIS  90 -10.409   5.124   5.124
 1415    H    GLU  91           H        GLU  91 -12.519   0.962   0.962
 1416    HA   GLU  91           HA       GLU  91 -14.461   0.963   0.963
 1417   1HB   GLU  91          2HB       GLU  91 -12.790   2.883   2.883
 1418   2HB   GLU  91          1HB       GLU  91 -13.562   3.735   3.735
 1419   1HG   GLU  91          2HG       GLU  91 -15.698   3.683   3.683
 1420   2HG   GLU  91          1HG       GLU  91 -15.141   2.522   2.522

  Start of MODEL   11
    1   1H    MET   0          3H        MET   0   0.722  -8.623  -8.623
    2   2H    MET   0          2H        MET   0   0.854  -9.633  -9.633
    3   3H    MET   0          1H        MET   0   0.730 -10.307 -10.307
    4    HA   MET   0           HA       MET   0  -1.520  -9.754  -9.754
    5   1HB   MET   0          2HB       MET   0  -1.044 -11.624 -11.624
    6   2HB   MET   0          1HB       MET   0  -0.825 -10.517 -10.517
    7   1HG   MET   0          2HG       MET   0  -3.303  -9.774  -9.774
    8   2HG   MET   0          1HG       MET   0  -3.321 -11.495 -11.495
    9   1HE   MET   0          1HE       MET   0  -4.866  -9.623  -9.623
   10   2HE   MET   0          3HE       MET   0  -5.387 -10.642 -10.642
   11   3HE   MET   0          2HE       MET   0  -4.322  -9.268  -9.268
   12    H    SER   1           H        SER   1  -1.210  -8.772  -8.772
   13    HA   SER   1           HA       SER   1  -3.016  -6.554  -6.554
   14   1HB   SER   1          2HB       SER   1  -1.014  -6.696  -6.696
   15   2HB   SER   1          1HB       SER   1  -2.752  -6.419  -6.419
   16    HG   SER   1           HG       SER   1  -1.946  -8.541  -8.541
   17    H    GLU   2           H        GLU   2   0.524  -6.619  -6.619
   18    HA   GLU   2           HA       GLU   2   1.179  -3.940  -3.940
   19   1HB   GLU   2          2HB       GLU   2   2.535  -6.183  -6.183
   20   2HB   GLU   2          1HB       GLU   2   3.310  -4.696  -4.696
   21   1HG   GLU   2          2HG       GLU   2   3.676  -5.584  -5.584
   22   2HG   GLU   2          1HG       GLU   2   1.957  -5.936  -5.936
   23    H    LEU   3           H        LEU   3   0.557  -5.986  -5.986
   24    HA   LEU   3           HA       LEU   3   1.053  -4.069  -4.069
   25   1HB   LEU   3          2HB       LEU   3   0.721  -6.549  -6.549
   26   2HB   LEU   3          1HB       LEU   3  -1.005  -6.298  -6.298
   27    HG   LEU   3           HG       LEU   3   0.620  -5.008  -5.008
   28   1HD1  LEU   3          2HD1      LEU   3  -0.617  -7.676  -7.676
   29   2HD1  LEU   3          1HD1      LEU   3  -1.053  -6.805  -6.805
   30   3HD1  LEU   3          3HD1      LEU   3   0.642  -7.121  -7.121
   31   1HD2  LEU   3          2HD2      LEU   3  -2.307  -5.130  -5.130
   32   2HD2  LEU   3          1HD2      LEU   3  -1.330  -3.717  -3.717
   33   3HD2  LEU   3          3HD2      LEU   3  -1.802  -4.846  -4.846
   34    H    GLU   4           H        GLU   4  -2.290  -5.159  -5.159
   35    HA   GLU   4           HA       GLU   4  -3.625  -2.941  -2.941
   36   1HB   GLU   4          2HB       GLU   4  -4.202  -4.761  -4.761
   37   2HB   GLU   4          1HB       GLU   4  -5.390  -3.619  -3.619
   38   1HG   GLU   4          2HG       GLU   4  -5.965  -5.181  -5.181
   39   2HG   GLU   4          1HG       GLU   4  -4.383  -4.946  -4.946
   40    H    LYS   5           H        LYS   5  -2.609  -3.403  -3.403
   41    HA   LYS   5           HA       LYS   5  -3.424  -0.917  -0.917
   42   1HB   LYS   5          2HB       LYS   5  -0.943  -2.597  -2.597
   43   2HB   LYS   5          1HB       LYS   5  -1.509  -1.310  -1.310
   44   1HG   LYS   5          2HG       LYS   5  -3.730  -3.031  -3.031
   45   2HG   LYS   5          1HG       LYS   5  -2.372  -4.031  -4.031
   46   1HD   LYS   5          2HD       LYS   5  -3.023  -1.532  -1.532
   47   2HD   LYS   5          1HD       LYS   5  -3.979  -2.990  -2.990
   48   1HE   LYS   5          2HE       LYS   5  -1.183  -3.700  -3.700
   49   2HE   LYS   5          1HE       LYS   5  -1.441  -2.389  -2.389
   50   1HZ   LYS   5          1HZ       LYS   5  -3.431  -3.662  -3.662
   51   2HZ   LYS   5          3HZ       LYS   5  -2.904  -4.967  -4.967
   52   3HZ   LYS   5          2HZ       LYS   5  -1.943  -4.410  -4.410
   53    H    ALA   6           H        ALA   6  -0.478  -1.747  -1.747
   54    HA   ALA   6           HA       ALA   6   0.724   0.865   0.865
   55   1HB   ALA   6          3HB       ALA   6   1.004  -1.677  -1.677
   56   2HB   ALA   6          2HB       ALA   6   1.372  -0.291  -0.291
   57   3HB   ALA   6          1HB       ALA   6   2.254  -0.531  -0.531
   58    H    VAL   7           H        VAL   7  -1.773  -0.643  -0.643
   59    HA   VAL   7           HA       VAL   7  -2.032   1.400   1.400
   60    HB   VAL   7           HB       VAL   7  -3.188  -1.093  -1.093
   61   1HG1  VAL   7          1HG1      VAL   7  -5.190   1.157   1.157
   62   2HG1  VAL   7          3HG1      VAL   7  -5.618  -0.488  -0.488
   63   3HG1  VAL   7          2HG1      VAL   7  -5.116  -0.147  -0.147
   64   1HG2  VAL   7          2HG2      VAL   7  -3.322   0.728   0.728
   65   2HG2  VAL   7          1HG2      VAL   7  -2.509  -0.828  -0.828
   66   3HG2  VAL   7          3HG2      VAL   7  -4.266  -0.761  -0.761
   67    H    VAL   8           H        VAL   8  -3.765   0.795   0.795
   68    HA   VAL   8           HA       VAL   8  -5.411   3.121   3.121
   69    HB   VAL   8           HB       VAL   8  -4.073   1.547   1.547
   70   1HG1  VAL   8          2HG1      VAL   8  -5.879   3.901   3.901
   71   2HG1  VAL   8          1HG1      VAL   8  -6.277   2.592   2.592
   72   3HG1  VAL   8          3HG1      VAL   8  -4.695   3.369   3.369
   73   1HG2  VAL   8          2HG2      VAL   8  -6.431   1.170   1.170
   74   2HG2  VAL   8          1HG2      VAL   8  -5.571  -0.002  -0.002
   75   3HG2  VAL   8          3HG2      VAL   8  -6.795   1.042   1.042
   76    H    ALA   9           H        ALA   9  -2.018   2.673   2.673
   77    HA   ALA   9           HA       ALA   9  -1.507   5.243   5.243
   78   1HB   ALA   9          3HB       ALA   9  -0.196   2.799   2.799
   79   2HB   ALA   9          2HB       ALA   9   0.710   3.908   3.908
   80   3HB   ALA   9          1HB       ALA   9   0.520   4.254   4.254
   81    H    LEU  10           H        LEU  10  -1.575   3.859   3.859
   82    HA   LEU  10           HA       LEU  10  -0.242   5.964   5.964
   83   1HB   LEU  10          2HB       LEU  10  -2.532   4.144   4.144
   84   2HB   LEU  10          1HB       LEU  10  -1.471   5.033   5.033
   85    HG   LEU  10           HG       LEU  10  -0.735   2.759   2.759
   86   1HD1  LEU  10          2HD1      LEU  10  -0.727   3.213   3.213
   87   2HD1  LEU  10          1HD1      LEU  10   0.257   1.950   1.950
   88   3HD1  LEU  10          3HD1      LEU  10  -1.496   1.914   1.914
   89   1HD2  LEU  10          2HD2      LEU  10   0.905   4.974   4.974
   90   2HD2  LEU  10          1HD2      LEU  10   1.205   3.929   3.929
   91   3HD2  LEU  10          3HD2      LEU  10   1.571   3.360   3.360
   92    H    ILE  11           H        ILE  11  -3.709   5.391   5.391
   93    HA   ILE  11           HA       ILE  11  -4.880   7.589   7.589
   94    HB   ILE  11           HB       ILE  11  -6.589   7.391   7.391
   95   1HG1  ILE  11          2HG1      ILE  11  -5.771   5.764   5.764
   96   2HG1  ILE  11          1HG1      ILE  11  -4.252   6.579   6.579
   97   1HG2  ILE  11          2HG2      ILE  11  -5.369   5.100   5.100
   98   2HG2  ILE  11          1HG2      ILE  11  -5.950   4.639   4.639
   99   3HG2  ILE  11          3HG2      ILE  11  -7.063   5.341   5.341
  100   1HD1  ILE  11          3HD1      ILE  11  -5.854   8.727   8.727
  101   2HD1  ILE  11          2HD1      ILE  11  -6.775   7.683   7.683
  102   3HD1  ILE  11          1HD1      ILE  11  -5.103   8.090   8.090
  103    H    ASP  12           H        ASP  12  -2.798   7.462   7.462
  104    HA   ASP  12           HA       ASP  12  -3.184  10.238  10.238
  105   1HB   ASP  12          2HB       ASP  12  -2.047   7.782   7.782
  106   2HB   ASP  12          1HB       ASP  12  -0.746   8.981   8.981
  107    H    VAL  13           H        VAL  13  -0.357   8.428   8.428
  108    HA   VAL  13           HA       VAL  13   1.284  10.587  10.587
  109    HB   VAL  13           HB       VAL  13   0.881   8.122   8.122
  110   1HG1  VAL  13          1HG1      VAL  13   2.885  10.243  10.243
  111   2HG1  VAL  13          3HG1      VAL  13   3.581   8.627   8.627
  112   3HG1  VAL  13          2HG1      VAL  13   2.632   9.113   9.113
  113   1HG2  VAL  13          2HG2      VAL  13   1.451   8.277   8.277
  114   2HG2  VAL  13          1HG2      VAL  13   1.415   6.843   6.843
  115   3HG2  VAL  13          3HG2      VAL  13   2.912   7.753   7.753
  116    H    PHE  14           H        PHE  14  -1.116   8.999   8.999
  117    HA   PHE  14           HA       PHE  14  -0.878  10.699  10.699
  118   1HB   PHE  14          2HB       PHE  14  -2.822   8.843   8.843
  119   2HB   PHE  14          1HB       PHE  14  -3.667  10.357  10.357
  120    HD1  PHE  14           HD2      PHE  14  -2.884  11.702  11.702
  121    HD2  PHE  14           HD1      PHE  14  -2.374   7.496   7.496
  122    HE1  PHE  14           HE2      PHE  14  -2.658  11.563  11.563
  123    HE2  PHE  14           HE1      PHE  14  -2.114   7.306   7.306
  124    HZ   PHE  14           HZ       PHE  14  -2.257   9.341   9.341
  125    H    HIS  15           H        HIS  15  -3.040  11.250  11.250
  126    HA   HIS  15           HA       HIS  15  -4.185  13.685  13.685
  127   1HB   HIS  15          2HB       HIS  15  -4.312  12.454  12.454
  128   2HB   HIS  15          1HB       HIS  15  -2.662  12.956  12.956
  129    HD1  HIS  15           HD1      HIS  15  -6.078  13.980  13.980
  130    HD2  HIS  15           HD2      HIS  15  -2.463  15.981  15.981
  131    HE1  HIS  15           HE1      HIS  15  -6.435  16.345  16.345
  132    H    GLN  16           H        GLN  16  -0.788  13.087  13.087
  133    HA   GLN  16           HA       GLN  16  -0.040  15.925  15.925
  134   1HB   GLN  16          2HB       GLN  16   1.546  13.333  13.333
  135   2HB   GLN  16          1HB       GLN  16   2.233  14.942  14.942
  136   1HG   GLN  16          2HG       GLN  16   1.006  15.216  15.216
  137   2HG   GLN  16          1HG       GLN  16   0.137  13.704  13.704
  138   1HE2  GLN  16          2HE2      GLN  16   4.103  12.905  12.905
  139   2HE2  GLN  16          1HE2      GLN  16   3.533  13.857  13.857
  140    H    TYR  17           H        TYR  17   1.118  13.151  13.151
  141    HA   TYR  17           HA       TYR  17   2.164  14.422  14.422
  142   1HB   TYR  17          2HB       TYR  17   0.620  11.872  11.872
  143   2HB   TYR  17          1HB       TYR  17   1.187  12.301  12.301
  144    HD1  TYR  17           HD2      TYR  17   2.202  11.432  11.432
  145    HD2  TYR  17           HD1      TYR  17   3.580  12.355  12.355
  146    HE1  TYR  17           HE2      TYR  17   4.467  10.627  10.627
  147    HE2  TYR  17           HE1      TYR  17   5.852  11.560  11.560
  148    HH   TYR  17           HH       TYR  17   6.900  11.175  11.175
  149    H    SER  18           H        SER  18  -1.249  13.253  13.253
  150    HA   SER  18           HA       SER  18  -2.013  14.611  14.611
  151   1HB   SER  18          2HB       SER  18  -4.330  14.275  14.275
  152   2HB   SER  18          1HB       SER  18  -3.378  12.828  12.828
  153    HG   SER  18           HG       SER  18  -4.347  13.794  13.794
  154    H    GLY  19           H        GLY  19  -1.927  15.693  15.693
  155   1HA   GLY  19          2HA       GLY  19  -2.688  18.410  18.410
  156   2HA   GLY  19          1HA       GLY  19  -3.434  17.751  17.751
  157    H    ARG  20           H        ARG  20  -0.090  18.096  18.096
  158    HA   ARG  20           HA       ARG  20   0.724  18.945  18.945
  159   1HB   ARG  20          2HB       ARG  20   3.030  18.297  18.297
  160   2HB   ARG  20          1HB       ARG  20   1.898  16.977  16.977
  161   1HG   ARG  20          2HG       ARG  20   1.387  16.753  16.753
  162   2HG   ARG  20          1HG       ARG  20   2.023  18.350  18.350
  163   1HD   ARG  20          2HD       ARG  20   3.630  15.901  15.901
  164   2HD   ARG  20          1HD       ARG  20   3.666  16.740  16.740
  165    HE   ARG  20           HE       ARG  20   4.742  17.829  17.829
  166   1HH1  ARG  20          1HH2      ARG  20   3.455  19.809  19.809
  167   2HH1  ARG  20          2HH2      ARG  20   4.859  20.347  20.347
  168   1HH2  ARG  20          2HH1      ARG  20   6.874  17.765  17.765
  169   2HH2  ARG  20          1HH1      ARG  20   6.794  19.191  19.191
  170    H    GLU  21           H        GLU  21  -0.536  20.790  20.790
  171    HA   GLU  21           HA       GLU  21  -0.201  23.062  23.062
  172   1HB   GLU  21          2HB       GLU  21   1.617  24.016  24.016
  173   2HB   GLU  21          1HB       GLU  21   1.971  22.402  22.402
  174   1HG   GLU  21          2HG       GLU  21   3.214  22.072  22.072
  175   2HG   GLU  21          1HG       GLU  21   3.163  23.832  23.832
  176    H    GLY  22           H        GLY  22  -0.202  23.886  23.886
  177   1HA   GLY  22          2HA       GLY  22   0.612  24.244  24.244
  178   2HA   GLY  22          1HA       GLY  22   1.635  22.817  22.817
  179    H    ASP  23           H        ASP  23  -0.784  21.318  21.318
  180    HA   ASP  23           HA       ASP  23  -2.328  21.015  21.015
  181   1HB   ASP  23          2HB       ASP  23  -0.526  19.147  19.147
  182   2HB   ASP  23          1HB       ASP  23  -2.053  18.449  18.449
  183    H    LYS  24           H        LYS  24  -3.905  18.851  18.851
  184    HA   LYS  24           HA       LYS  24  -5.209  19.807  19.807
  185   1HB   LYS  24          2HB       LYS  24  -6.073  20.455  20.455
  186   2HB   LYS  24          1HB       LYS  24  -6.967  18.960  18.960
  187   1HG   LYS  24          2HG       LYS  24  -8.385  20.631  20.631
  188   2HG   LYS  24          1HG       LYS  24  -7.566  19.980  19.980
  189   1HD   LYS  24          2HD       LYS  24  -6.288  21.873  21.873
  190   2HD   LYS  24          1HD       LYS  24  -6.250  22.252  22.252
  191   1HE   LYS  24          2HE       LYS  24  -7.774  23.870  23.870
  192   2HE   LYS  24          1HE       LYS  24  -8.930  22.524  22.524
  193   1HZ   LYS  24          3HZ       LYS  24  -8.297  22.054  22.054
  194   2HZ   LYS  24          2HZ       LYS  24  -7.390  23.492  23.492
  195   3HZ   LYS  24          1HZ       LYS  24  -9.075  23.549  23.549
  196    H    HIS  25           H        HIS  25  -5.882  17.315  17.315
  197    HA   HIS  25           HA       HIS  25  -5.485  15.189  15.189
  198   1HB   HIS  25          2HB       HIS  25  -7.781  15.776  15.776
  199   2HB   HIS  25          1HB       HIS  25  -8.033  15.896  15.896
  200    HD1  HIS  25           HD1      HIS  25  -9.991  14.093  14.093
  201    HD2  HIS  25           HD2      HIS  25  -6.112  12.716  12.716
  202    HE1  HIS  25           HE1      HIS  25 -10.127  11.565  11.565
  203    H    LYS  26           H        LYS  26  -3.687  15.427  15.427
  204    HA   LYS  26           HA       LYS  26  -4.164  13.038  13.038
  205   1HB   LYS  26          2HB       LYS  26  -3.783  15.848  15.848
  206   2HB   LYS  26          1HB       LYS  26  -3.377  14.435  14.435
  207   1HG   LYS  26          2HG       LYS  26  -5.553  14.533  14.533
  208   2HG   LYS  26          1HG       LYS  26  -5.855  13.742  13.742
  209   1HD   LYS  26          2HD       LYS  26  -5.727  16.331  16.331
  210   2HD   LYS  26          1HD       LYS  26  -6.374  16.540  16.540
  211   1HE   LYS  26          2HE       LYS  26  -7.901  14.454  14.454
  212   2HE   LYS  26          1HE       LYS  26  -7.647  15.328  15.328
  213   1HZ   LYS  26          2HZ       LYS  26  -8.318  16.767  16.767
  214   2HZ   LYS  26          1HZ       LYS  26  -9.542  16.111  16.111
  215   3HZ   LYS  26          3HZ       LYS  26  -8.495  17.287  17.287
  216    H    LEU  27           H        LEU  27  -2.092  12.378  12.378
  217    HA   LEU  27           HA       LEU  27   0.285  13.379  13.379
  218   1HB   LEU  27          2HB       LEU  27  -0.863  10.758  10.758
  219   2HB   LEU  27          1HB       LEU  27   0.816  10.837  10.837
  220    HG   LEU  27           HG       LEU  27   0.351  10.172  10.172
  221   1HD1  LEU  27          3HD1      LEU  27   2.442  11.558  11.558
  222   2HD1  LEU  27          2HD1      LEU  27   2.210  12.356  12.356
  223   3HD1  LEU  27          1HD1      LEU  27   2.537  10.623  10.623
  224   1HD2  LEU  27          2HD2      LEU  27  -1.112  12.489  12.489
  225   2HD2  LEU  27          1HD2      LEU  27  -0.472  11.705  11.705
  226   3HD2  LEU  27          3HD2      LEU  27   0.416  13.031  13.031
  227    H    LYS  28           H        LYS  28   1.581  14.576  14.576
  228    HA   LYS  28           HA       LYS  28   1.391  14.269  14.269
  229   1HB   LYS  28          2HB       LYS  28   1.632  16.377  16.377
  230   2HB   LYS  28          1HB       LYS  28   3.347  16.057  16.057
  231   1HG   LYS  28          2HG       LYS  28   3.157  16.363  16.363
  232   2HG   LYS  28          1HG       LYS  28   1.398  16.231  16.231
  233   1HD   LYS  28          2HD       LYS  28   2.721  18.410  18.410
  234   2HD   LYS  28          1HD       LYS  28   2.552  18.607  18.607
  235   1HE   LYS  28          2HE       LYS  28   0.044  17.718  17.718
  236   2HE   LYS  28          1HE       LYS  28   0.473  18.677  18.677
  237   1HZ   LYS  28          1HZ       LYS  28   1.216  20.456  20.456
  238   2HZ   LYS  28          3HZ       LYS  28   0.671  19.555  19.555
  239   3HZ   LYS  28          2HZ       LYS  28  -0.441  20.124  20.124
  240    H    LYS  29           H        LYS  29   3.300  13.871  13.871
  241    HA   LYS  29           HA       LYS  29   4.912  11.697  11.697
  242   1HB   LYS  29          2HB       LYS  29   5.698  14.199  14.199
  243   2HB   LYS  29          1HB       LYS  29   6.389  12.592  12.592
  244   1HG   LYS  29          2HG       LYS  29   4.717  12.018  12.018
  245   2HG   LYS  29          1HG       LYS  29   3.516  12.428  12.428
  246   1HD   LYS  29          2HD       LYS  29   3.468  14.727  14.727
  247   2HD   LYS  29          1HD       LYS  29   4.871  14.500  14.500
  248   1HE   LYS  29          2HE       LYS  29   2.502  12.742  12.742
  249   2HE   LYS  29          1HE       LYS  29   2.388  14.440  14.440
  250   1HZ   LYS  29          1HZ       LYS  29   4.930  13.686  13.686
  251   2HZ   LYS  29          3HZ       LYS  29   3.991  12.336  12.336
  252   3HZ   LYS  29          2HZ       LYS  29   3.619  13.861  13.861
  253    H    SER  30           H        SER  30   5.240  14.994  14.994
  254    HA   SER  30           HA       SER  30   7.958  14.714  14.714
  255   1HB   SER  30          2HB       SER  30   7.599  16.934  16.934
  256   2HB   SER  30          1HB       SER  30   6.559  16.803  16.803
  257    HG   SER  30           HG       SER  30   5.857  16.619  16.619
  258    H    GLU  31           H        GLU  31   4.707  14.813  14.813
  259    HA   GLU  31           HA       GLU  31   5.609  14.246  14.246
  260   1HB   GLU  31          2HB       GLU  31   2.959  13.347  13.347
  261   2HB   GLU  31          1HB       GLU  31   3.297  13.940  13.940
  262   1HG   GLU  31          2HG       GLU  31   4.005  16.147  16.147
  263   2HG   GLU  31          1HG       GLU  31   3.081  15.510  15.510
  264    H    LEU  32           H        LEU  32   5.087  12.268  12.268
  265    HA   LEU  32           HA       LEU  32   4.968   9.700   9.700
  266   1HB   LEU  32          2HB       LEU  32   4.561  10.754  10.754
  267   2HB   LEU  32          1HB       LEU  32   5.990   9.740   9.740
  268    HG   LEU  32           HG       LEU  32   4.788   7.848   7.848
  269   1HD1  LEU  32          2HD1      LEU  32   3.187   9.732   9.732
  270   2HD1  LEU  32          1HD1      LEU  32   2.166   9.213   9.213
  271   3HD1  LEU  32          3HD1      LEU  32   2.731   8.036   8.036
  272   1HD2  LEU  32          2HD2      LEU  32   4.449   8.871   8.871
  273   2HD2  LEU  32          1HD2      LEU  32   3.907   7.280   7.280
  274   3HD2  LEU  32          3HD2      LEU  32   2.786   8.642   8.642
  275    H    LYS  33           H        LYS  33   7.519  11.030  11.030
  276    HA   LYS  33           HA       LYS  33   9.593   9.276   9.276
  277   1HB   LYS  33          2HB       LYS  33   9.325  11.510  11.510
  278   2HB   LYS  33          1HB       LYS  33  10.196  12.204  12.204
  279   1HG   LYS  33          2HG       LYS  33  11.081   9.951   9.951
  280   2HG   LYS  33          1HG       LYS  33  11.881  11.499  11.499
  281   1HD   LYS  33          2HD       LYS  33  12.249  10.843  10.843
  282   2HD   LYS  33          1HD       LYS  33  11.554   9.262   9.262
  283   1HE   LYS  33          2HE       LYS  33  13.418   8.561   8.561
  284   2HE   LYS  33          1HE       LYS  33  13.751  10.181  10.181
  285   1HZ   LYS  33          1HZ       LYS  33  14.106  10.725  10.725
  286   2HZ   LYS  33          3HZ       LYS  33  14.409   9.061   9.061
  287   3HZ   LYS  33          2HZ       LYS  33  15.362  10.022  10.022
  288    H    GLU  34           H        GLU  34   8.874  12.336  12.336
  289    HA   GLU  34           HA       GLU  34  10.769  12.191  12.191
  290   1HB   GLU  34          2HB       GLU  34   8.582  13.724  13.724
  291   2HB   GLU  34          1HB       GLU  34   8.010  12.909  12.909
  292   1HG   GLU  34          2HG       GLU  34  10.153  13.615  13.615
  293   2HG   GLU  34          1HG       GLU  34  10.528  14.578  14.578
  294    H    LEU  35           H        LEU  35   7.428  10.964  10.964
  295    HA   LEU  35           HA       LEU  35   7.379   9.636   9.636
  296   1HB   LEU  35          2HB       LEU  35   5.743   9.873   9.873
  297   2HB   LEU  35          1HB       LEU  35   6.344   8.260   8.260
  298    HG   LEU  35           HG       LEU  35   5.681   8.547   8.547
  299   1HD1  LEU  35          3HD1      LEU  35   3.877   9.765   9.765
  300   2HD1  LEU  35          2HD1      LEU  35   3.123   8.315   8.315
  301   3HD1  LEU  35          1HD1      LEU  35   3.686   9.590   9.590
  302   1HD2  LEU  35          2HD2      LEU  35   6.084   6.472   6.472
  303   2HD2  LEU  35          1HD2      LEU  35   4.735   6.409   6.409
  304   3HD2  LEU  35          3HD2      LEU  35   4.434   6.722   6.722
  305    H    ILE  36           H        ILE  36   9.121   8.604   8.604
  306    HA   ILE  36           HA       ILE  36   9.777   5.999   5.999
  307    HB   ILE  36           HB       ILE  36  11.190   6.915   6.915
  308   1HG1  ILE  36          2HG1      ILE  36   9.091   8.019   8.019
  309   2HG1  ILE  36          1HG1      ILE  36   9.125   6.515   6.515
  310   1HG2  ILE  36          3HG2      ILE  36  11.006   4.574   4.574
  311   2HG2  ILE  36          2HG2      ILE  36   9.408   4.525   4.525
  312   3HG2  ILE  36          1HG2      ILE  36  10.846   4.702   4.702
  313   1HD1  ILE  36          3HD1      ILE  36   8.011   6.197   6.197
  314   2HD1  ILE  36          2HD1      ILE  36   7.083   7.298   7.298
  315   3HD1  ILE  36          1HD1      ILE  36   7.381   5.646   5.646
  316    H    ASN  37           H        ASN  37  11.489   8.970   8.970
  317    HA   ASN  37           HA       ASN  37  14.054   8.080   8.080
  318   1HB   ASN  37          2HB       ASN  37  14.807  10.096  10.096
  319   2HB   ASN  37          1HB       ASN  37  13.359   9.801   9.801
  320   1HD2  ASN  37          2HD2      ASN  37  13.301  13.332  13.332
  321   2HD2  ASN  37          1HD2      ASN  37  14.423  12.451  12.451
  322    H    ASN  38           H        ASN  38  11.260   9.502   9.502
  323    HA   ASN  38           HA       ASN  38  12.479  10.999  10.999
  324   1HB   ASN  38          2HB       ASN  38   9.900  10.164  10.164
  325   2HB   ASN  38          1HB       ASN  38  10.024   9.749   9.749
  326   1HD2  ASN  38          2HD2      ASN  38   9.133  13.474  13.474
  327   2HD2  ASN  38          1HD2      ASN  38   8.707  12.106  12.106
  328    H    GLU  39           H        GLU  39  11.619   7.589   7.589
  329    HA   GLU  39           HA       GLU  39  12.905   6.990   6.990
  330   1HB   GLU  39          2HB       GLU  39  10.551   6.423   6.423
  331   2HB   GLU  39          1HB       GLU  39  10.793   5.608   5.608
  332   1HG   GLU  39          2HG       GLU  39  10.658   4.036   4.036
  333   2HG   GLU  39          1HG       GLU  39  12.155   3.898   3.898
  334    H    LEU  40           H        LEU  40  12.470   5.801   5.801
  335    HA   LEU  40           HA       LEU  40  14.740   3.929   3.929
  336   1HB   LEU  40          2HB       LEU  40  12.957   4.627   4.627
  337   2HB   LEU  40          1HB       LEU  40  13.990   3.204   3.204
  338    HG   LEU  40           HG       LEU  40  12.295   3.402   3.402
  339   1HD1  LEU  40          2HD1      LEU  40  10.948   3.554   3.554
  340   2HD1  LEU  40          1HD1      LEU  40  10.137   2.933   2.933
  341   3HD1  LEU  40          3HD1      LEU  40  10.691   4.607   4.607
  342   1HD2  LEU  40          3HD2      LEU  40  12.768   1.465   1.465
  343   2HD2  LEU  40          2HD2      LEU  40  13.197   1.297   1.297
  344   3HD2  LEU  40          1HD2      LEU  40  11.512   1.155   1.155
  345    H    SER  41           H        SER  41  15.953   6.227   6.227
  346    HA   SER  41           HA       SER  41  16.646   8.086   8.086
  347   1HB   SER  41          2HB       SER  41  18.862   6.626   6.626
  348   2HB   SER  41          1HB       SER  41  18.565   8.359   8.359
  349    HG   SER  41           HG       SER  41  17.849   6.645   6.645
  350    H    HIS  42           H        HIS  42  17.412   4.645   4.645
  351    HA   HIS  42           HA       HIS  42  19.494   4.476   4.476
  352   1HB   HIS  42          2HB       HIS  42  16.957   2.965   2.965
  353   2HB   HIS  42          1HB       HIS  42  17.913   2.530   2.530
  354    HD1  HIS  42           HD1      HIS  42  19.804   0.954   0.954
  355    HD2  HIS  42           HD2      HIS  42  18.661   2.942   2.942
  356    HE1  HIS  42           HE1      HIS  42  21.198  -0.024  -0.024
  357    H    PHE  43           H        PHE  43  16.096   5.312   5.312
  358    HA   PHE  43           HA       PHE  43  16.491   5.455   5.455
  359   1HB   PHE  43          2HB       PHE  43  14.364   6.314   6.314
  360   2HB   PHE  43          1HB       PHE  43  14.226   6.686   6.686
  361    HD1  PHE  43           HD1      PHE  43  15.277   4.378   4.378
  362    HD2  PHE  43           HD2      PHE  43  12.947   4.557   4.557
  363    HE1  PHE  43           HE1      PHE  43  14.436   2.078   2.078
  364    HE2  PHE  43           HE2      PHE  43  12.114   2.255   2.255
  365    HZ   PHE  43           HZ       PHE  43  12.862   1.016   1.016
  366    H    LEU  44           H        LEU  44  17.079   7.619   7.619
  367    HA   LEU  44           HA       LEU  44  16.856  10.162  10.162
  368   1HB   LEU  44          2HB       LEU  44  17.724   9.209   9.209
  369   2HB   LEU  44          1HB       LEU  44  19.299   9.434   9.434
  370    HG   LEU  44           HG       LEU  44  18.169  11.789  11.789
  371   1HD1  LEU  44          3HD1      LEU  44  16.432  10.600  10.600
  372   2HD1  LEU  44          2HD1      LEU  44  17.157  12.074  12.074
  373   3HD1  LEU  44          1HD1      LEU  44  16.242  12.127  12.127
  374   1HD2  LEU  44          3HD2      LEU  44  20.062  10.827  10.827
  375   2HD2  LEU  44          2HD2      LEU  44  19.928  12.461  12.461
  376   3HD2  LEU  44          1HD2      LEU  44  19.074  12.030  12.030
  377    H    GLU  45           H        GLU  45  19.360   7.707   7.707
  378    HA   GLU  45           HA       GLU  45  20.916   9.168   9.168
  379   1HB   GLU  45          2HB       GLU  45  21.316   7.271   7.271
  380   2HB   GLU  45          1HB       GLU  45  21.726   6.458   6.458
  381   1HG   GLU  45          2HG       GLU  45  23.722   7.510   7.510
  382   2HG   GLU  45          1HG       GLU  45  22.853   8.997   8.997
  383    H    GLU  46           H        GLU  46  18.527   6.670   6.670
  384    HA   GLU  46           HA       GLU  46  17.575   5.141   5.141
  385   1HB   GLU  46          2HB       GLU  46  16.511   6.448   6.448
  386   2HB   GLU  46          1HB       GLU  46  17.347   7.778   7.778
  387   1HG   GLU  46          2HG       GLU  46  19.287   7.098   7.098
  388   2HG   GLU  46          1HG       GLU  46  17.920   6.471   6.471
  389    H    ILE  47           H        ILE  47  20.580   5.162   5.162
  390    HA   ILE  47           HA       ILE  47  21.420   4.117   4.117
  391    HB   ILE  47           HB       ILE  47  22.461   6.118   6.118
  392   1HG1  ILE  47          2HG1      ILE  47  23.352   5.080   5.080
  393   2HG1  ILE  47          1HG1      ILE  47  24.613   5.643   5.643
  394   1HG2  ILE  47          2HG2      ILE  47  23.723   3.688   3.688
  395   2HG2  ILE  47          1HG2      ILE  47  24.254   5.358   5.358
  396   3HG2  ILE  47          3HG2      ILE  47  22.666   4.849   4.849
  397   1HD1  ILE  47          3HD1      ILE  47  24.413   3.149   3.149
  398   2HD1  ILE  47          2HD1      ILE  47  23.820   2.847   2.847
  399   3HD1  ILE  47          1HD1      ILE  47  25.429   3.527   3.527
  400    H    LYS  48           H        LYS  48  21.247   3.472   3.472
  401    HA   LYS  48           HA       LYS  48  22.763   1.121   1.121
  402   1HB   LYS  48          2HB       LYS  48  20.030   1.501   1.501
  403   2HB   LYS  48          1HB       LYS  48  21.453   0.747   0.747
  404   1HG   LYS  48          2HG       LYS  48  20.902   3.681   3.681
  405   2HG   LYS  48          1HG       LYS  48  21.350   2.859   2.859
  406   1HD   LYS  48          2HD       LYS  48  23.602   2.541   2.541
  407   2HD   LYS  48          1HD       LYS  48  23.205   3.016   3.016
  408   1HE   LYS  48          2HE       LYS  48  24.158   4.993   4.993
  409   2HE   LYS  48          1HE       LYS  48  22.432   5.273   5.273
  410   1HZ   LYS  48          3HZ       LYS  48  24.351   4.035   4.035
  411   2HZ   LYS  48          2HZ       LYS  48  23.760   5.624   5.624
  412   3HZ   LYS  48          1HZ       LYS  48  22.702   4.309   4.309
  413    H    GLU  49           H        GLU  49  19.845   1.656   1.656
  414    HA   GLU  49           HA       GLU  49  19.775  -1.229  -1.229
  415   1HB   GLU  49          2HB       GLU  49  17.258  -1.093  -1.093
  416   2HB   GLU  49          1HB       GLU  49  18.189  -1.022  -1.022
  417   1HG   GLU  49          2HG       GLU  49  18.097   1.523   1.523
  418   2HG   GLU  49          1HG       GLU  49  16.887   1.273   1.273
  419    H    GLN  50           H        GLN  50  20.553  -0.527  -0.527
  420    HA   GLN  50           HA       GLN  50  19.364   1.585   1.585
  421   1HB   GLN  50          2HB       GLN  50  21.152  -0.769  -0.769
  422   2HB   GLN  50          1HB       GLN  50  20.450  -0.015  -0.015
  423   1HG   GLN  50          2HG       GLN  50  21.247   2.191   2.191
  424   2HG   GLN  50          1HG       GLN  50  22.483   1.033   1.033
  425   1HE2  GLN  50          2HE2      GLN  50  22.176   1.823   1.823
  426   2HE2  GLN  50          1HE2      GLN  50  20.765   1.814   1.814
  427    H    GLU  51           H        GLU  51  19.022  -1.967  -1.967
  428    HA   GLU  51           HA       GLU  51  17.009  -1.996  -1.996
  429   1HB   GLU  51          2HB       GLU  51  18.159  -3.974  -3.974
  430   2HB   GLU  51          1HB       GLU  51  17.370  -3.772  -3.772
  431   1HG   GLU  51          2HG       GLU  51  15.154  -3.855  -3.855
  432   2HG   GLU  51          1HG       GLU  51  16.139  -4.552  -4.552
  433    H    VAL  52           H        VAL  52  16.571  -1.692  -1.692
  434    HA   VAL  52           HA       VAL  52  13.666  -1.553  -1.553
  435    HB   VAL  52           HB       VAL  52  15.597  -0.750  -0.750
  436   1HG1  VAL  52          1HG1      VAL  52  12.688  -0.686  -0.686
  437   2HG1  VAL  52          3HG1      VAL  52  13.206  -1.671  -1.671
  438   3HG1  VAL  52          2HG1      VAL  52  13.708   0.015   0.015
  439   1HG2  VAL  52          3HG2      VAL  52  15.379  -3.231  -3.231
  440   2HG2  VAL  52          2HG2      VAL  52  15.683  -2.954  -2.954
  441   3HG2  VAL  52          1HG2      VAL  52  14.045  -3.288  -3.288
  442    H    VAL  53           H        VAL  53  16.330   0.720   0.720
  443    HA   VAL  53           HA       VAL  53  14.720   3.104   3.104
  444    HB   VAL  53           HB       VAL  53  17.458   2.440   2.440
  445   1HG1  VAL  53          2HG1      VAL  53  16.016   5.099   5.099
  446   2HG1  VAL  53          1HG1      VAL  53  17.776   4.995   4.995
  447   3HG1  VAL  53          3HG1      VAL  53  16.871   4.311   4.311
  448   1HG2  VAL  53          3HG2      VAL  53  16.457   2.806   2.806
  449   2HG2  VAL  53          2HG2      VAL  53  18.151   2.996   2.996
  450   3HG2  VAL  53          1HG2      VAL  53  17.092   4.405   4.405
  451    H    ASP  54           H        ASP  54  15.451   0.938   0.938
  452    HA   ASP  54           HA       ASP  54  14.632   2.660   2.660
  453   1HB   ASP  54          2HB       ASP  54  16.026   0.869   0.869
  454   2HB   ASP  54          1HB       ASP  54  15.217  -0.249  -0.249
  455    H    LYS  55           H        LYS  55  13.133   0.086   0.086
  456    HA   LYS  55           HA       LYS  55  10.512   0.348   0.348
  457   1HB   LYS  55          2HB       LYS  55  11.711  -1.055  -1.055
  458   2HB   LYS  55          1HB       LYS  55   9.965  -1.065  -1.065
  459   1HG   LYS  55          2HG       LYS  55  10.497  -2.944  -2.944
  460   2HG   LYS  55          1HG       LYS  55  10.741  -1.737  -1.737
  461   1HD   LYS  55          2HD       LYS  55  13.139  -1.631  -1.631
  462   2HD   LYS  55          1HD       LYS  55  12.901  -2.847  -2.847
  463   1HE   LYS  55          2HE       LYS  55  11.954  -3.501  -3.501
  464   2HE   LYS  55          1HE       LYS  55  13.696  -3.572  -3.572
  465   1HZ   LYS  55          3HZ       LYS  55  12.787  -4.723  -4.723
  466   2HZ   LYS  55          2HZ       LYS  55  11.525  -5.162  -5.162
  467   3HZ   LYS  55          1HZ       LYS  55  13.125  -5.611  -5.611
  468    H    VAL  56           H        VAL  56  11.666   0.989   0.989
  469    HA   VAL  56           HA       VAL  56   9.605   2.349   2.349
  470    HB   VAL  56           HB       VAL  56  12.581   2.869   2.869
  471   1HG1  VAL  56          2HG1      VAL  56  11.465   4.994   4.994
  472   2HG1  VAL  56          1HG1      VAL  56  10.564   4.165   4.165
  473   3HG1  VAL  56          3HG1      VAL  56  12.317   4.313   4.313
  474   1HG2  VAL  56          2HG2      VAL  56  10.950   0.943   0.943
  475   2HG2  VAL  56          1HG2      VAL  56  12.649   1.263   1.263
  476   3HG2  VAL  56          3HG2      VAL  56  11.392   2.062   2.062
  477    H    MET  57           H        MET  57  12.001   3.864   3.864
  478    HA   MET  57           HA       MET  57  10.641   6.429   6.429
  479   1HB   MET  57          2HB       MET  57  12.714   5.135   5.135
  480   2HB   MET  57          1HB       MET  57  12.308   6.852   6.852
  481   1HG   MET  57          2HG       MET  57  13.379   5.310   5.310
  482   2HG   MET  57          1HG       MET  57  14.329   6.389   6.389
  483   1HE   MET  57          3HE       MET  57  13.521   8.465   8.465
  484   2HE   MET  57          2HE       MET  57  11.946   9.112   9.112
  485   3HE   MET  57          1HE       MET  57  13.404   9.743   9.743
  486    H    GLU  58           H        GLU  58  10.553   3.489   3.489
  487    HA   GLU  58           HA       GLU  58   9.322   4.399   4.399
  488   1HB   GLU  58          2HB       GLU  58   9.046   2.150   2.150
  489   2HB   GLU  58          1HB       GLU  58  10.005   2.005   2.005
  490   1HG   GLU  58          2HG       GLU  58   8.129   0.602   0.602
  491   2HG   GLU  58          1HG       GLU  58   7.757   2.069   2.069
  492    H    THR  59           H        THR  59   7.833   3.738   3.738
  493    HA   THR  59           HA       THR  59   5.176   4.557   4.557
  494    HB   THR  59           HB       THR  59   6.341   3.448   3.448
  495    HG1  THR  59           HG1      THR  59   4.210   2.599   2.599
  496   1HG2  THR  59          3HG2      THR  59   3.664   4.760   4.760
  497   2HG2  THR  59          2HG2      THR  59   3.855   3.467   3.467
  498   3HG2  THR  59          1HG2      THR  59   4.786   4.956   4.956
  499    H    LEU  60           H        LEU  60   7.407   5.555   5.555
  500    HA   LEU  60           HA       LEU  60   6.208   7.856   7.856
  501   1HB   LEU  60          2HB       LEU  60   8.688   6.646   6.646
  502   2HB   LEU  60          1HB       LEU  60   9.052   8.199   8.199
  503    HG   LEU  60           HG       LEU  60   7.713   7.704   7.704
  504   1HD1  LEU  60          1HD1      LEU  60  10.306   7.833   7.833
  505   2HD1  LEU  60          3HD1      LEU  60  10.004   9.566   9.566
  506   3HD1  LEU  60          2HD1      LEU  60   9.601   8.709   8.709
  507   1HD2  LEU  60          1HD2      LEU  60   7.560  10.020  10.020
  508   2HD2  LEU  60          3HD2      LEU  60   6.432   9.509   9.509
  509   3HD2  LEU  60          2HD2      LEU  60   7.888  10.404  10.404
  510    H    ASP  61           H        ASP  61   7.801   7.397   7.397
  511    HA   ASP  61           HA       ASP  61   7.807  10.199  10.199
  512   1HB   ASP  61          2HB       ASP  61   8.348   7.512   7.512
  513   2HB   ASP  61          1HB       ASP  61   7.910   8.768   8.768
  514    H    SER  62           H        SER  62   5.754   7.380   7.380
  515    HA   SER  62           HA       SER  62   3.714   9.097   9.097
  516   1HB   SER  62          2HB       SER  62   2.863   6.400   6.400
  517   2HB   SER  62          1HB       SER  62   3.448   7.179   7.179
  518    HG   SER  62           HG       SER  62   5.338   6.259   6.259
  519    H    ASP  63           H        ASP  63   3.453   6.434   6.434
  520    HA   ASP  63           HA       ASP  63   1.812   6.160   6.160
  521   1HB   ASP  63          2HB       ASP  63   4.020   7.304   7.304
  522   2HB   ASP  63          1HB       ASP  63   3.055   8.779   8.779
  523    H    GLY  64           H        GLY  64  -0.398   6.588   6.588
  524   1HA   GLY  64          2HA       GLY  64  -2.391   7.823   7.823
  525   2HA   GLY  64          1HA       GLY  64  -1.631   8.936   8.936
  526    H    ASP  65           H        ASP  65   0.260  10.212  10.212
  527    HA   ASP  65           HA       ASP  65   0.967  11.587  11.587
  528   1HB   ASP  65          2HB       ASP  65  -0.165   9.753   9.753
  529   2HB   ASP  65          1HB       ASP  65  -1.565  10.826  10.826
  530    H    GLY  66           H        GLY  66   0.761  13.524  13.524
  531   1HA   GLY  66          2HA       GLY  66  -0.322  15.724  15.724
  532   2HA   GLY  66          1HA       GLY  66  -1.880  14.898  14.898
  533    H    GLU  67           H        GLU  67  -2.392  13.535  13.535
  534    HA   GLU  67           HA       GLU  67  -1.091  14.466  14.466
  535   1HB   GLU  67          2HB       GLU  67  -2.753  16.178  16.178
  536   2HB   GLU  67          1HB       GLU  67  -3.985  14.955  14.955
  537   1HG   GLU  67          2HG       GLU  67  -4.486  15.472  15.472
  538   2HG   GLU  67          1HG       GLU  67  -3.331  14.159  14.159
  539    H    CYS  68           H        CYS  68  -1.015  12.739  12.739
  540    HA   CYS  68           HA       CYS  68  -2.634  10.335  10.335
  541   1HB   CYS  68          2HB       CYS  68  -0.565  10.585  10.585
  542   2HB   CYS  68          1HB       CYS  68  -1.006   9.163   9.163
  543    HG   CYS  68           HG       CYS  68   0.251  10.162  10.162
  544    H    ASP  69           H        ASP  69  -3.501   9.140   9.140
  545    HA   ASP  69           HA       ASP  69  -4.354  11.052  11.052
  546   1HB   ASP  69          2HB       ASP  69  -6.192   9.349   9.349
  547   2HB   ASP  69          1HB       ASP  69  -6.674  10.418  10.418
  548    H    PHE  70           H        PHE  70  -4.964  10.068  10.068
  549    HA   PHE  70           HA       PHE  70  -4.361   8.320   8.320
  550   1HB   PHE  70          2HB       PHE  70  -6.897   8.123   8.123
  551   2HB   PHE  70          1HB       PHE  70  -6.560   6.929   6.929
  552    HD1  PHE  70           HD2      PHE  70  -4.864   9.991   9.991
  553    HD2  PHE  70           HD1      PHE  70  -8.708   8.098   8.098
  554    HE1  PHE  70           HE2      PHE  70  -5.494  11.588  11.588
  555    HE2  PHE  70           HE1      PHE  70  -9.327   9.691   9.691
  556    HZ   PHE  70           HZ       PHE  70  -7.715  11.444  11.444
  557    H    GLN  71           H        GLN  71  -5.933   6.385   6.385
  558    HA   GLN  71           HA       GLN  71  -4.560   3.982   3.982
  559   1HB   GLN  71          2HB       GLN  71  -6.446   3.679   3.679
  560   2HB   GLN  71          1HB       GLN  71  -6.225   5.184   5.184
  561   1HG   GLN  71          2HG       GLN  71  -4.142   3.499   3.499
  562   2HG   GLN  71          1HG       GLN  71  -5.564   2.471   2.471
  563   1HE2  GLN  71          2HE2      GLN  71  -5.293   5.070   5.070
  564   2HE2  GLN  71          1HE2      GLN  71  -3.983   4.661   4.661
  565    H    GLU  72           H        GLU  72  -3.755   6.344   6.344
  566    HA   GLU  72           HA       GLU  72  -1.679   4.969   4.969
  567   1HB   GLU  72          2HB       GLU  72  -2.109   7.882   7.882
  568   2HB   GLU  72          1HB       GLU  72  -0.792   7.330   7.330
  569   1HG   GLU  72          2HG       GLU  72  -2.625   5.972   5.972
  570   2HG   GLU  72          1HG       GLU  72  -3.760   7.052   7.052
  571    H    PHE  73           H        PHE  73  -1.251   7.082   7.082
  572    HA   PHE  73           HA       PHE  73   1.523   6.781   6.781
  573   1HB   PHE  73          2HB       PHE  73   0.704   8.184   8.184
  574   2HB   PHE  73          1HB       PHE  73  -0.760   7.237   7.237
  575    HD1  PHE  73           HD1      PHE  73   2.795   6.133   6.133
  576    HD2  PHE  73           HD2      PHE  73  -0.854   6.822   6.822
  577    HE1  PHE  73           HE1      PHE  73   3.750   5.023   5.023
  578    HE2  PHE  73           HE2      PHE  73   0.099   5.737   5.737
  579    HZ   PHE  73           HZ       PHE  73   2.403   4.827   4.827
  580    H    MET  74           H        MET  74  -0.808   4.739   4.739
  581    HA   MET  74           HA       MET  74   1.020   2.710   2.710
  582   1HB   MET  74          2HB       MET  74  -1.934   2.555   2.555
  583   2HB   MET  74          1HB       MET  74  -1.043   1.393   1.393
  584   1HG   MET  74          2HG       MET  74  -0.769   2.893   2.893
  585   2HG   MET  74          1HG       MET  74  -0.963   4.305   4.305
  586   1HE   MET  74          2HE       MET  74  -2.207   1.548   1.548
  587   2HE   MET  74          1HE       MET  74  -2.831   2.842   2.842
  588   3HE   MET  74          3HE       MET  74  -3.946   1.729   1.729
  589    H    ALA  75           H        ALA  75  -0.723   3.254   3.254
  590    HA   ALA  75           HA       ALA  75  -0.398   0.668   0.668
  591   1HB   ALA  75          2HB       ALA  75  -1.924   2.508   2.508
  592   2HB   ALA  75          1HB       ALA  75  -0.518   3.433   3.433
  593   3HB   ALA  75          3HB       ALA  75  -0.935   1.922   1.922
  594    H    PHE  76           H        PHE  76   1.434   3.662   3.662
  595    HA   PHE  76           HA       PHE  76   3.512   2.318   2.318
  596   1HB   PHE  76          2HB       PHE  76   2.942   4.585   4.585
  597   2HB   PHE  76          1HB       PHE  76   3.088   5.070   5.070
  598    HD1  PHE  76           HD2      PHE  76   5.125   3.589   3.589
  599    HD2  PHE  76           HD1      PHE  76   5.076   6.023   6.023
  600    HE1  PHE  76           HE2      PHE  76   7.505   4.176   4.176
  601    HE2  PHE  76           HE1      PHE  76   7.457   6.612   6.612
  602    HZ   PHE  76           HZ       PHE  76   8.672   5.688   5.688
  603    H    VAL  77           H        VAL  77   3.357   3.817   3.817
  604    HA   VAL  77           HA       VAL  77   5.979   3.385   3.385
  605    HB   VAL  77           HB       VAL  77   3.844   4.304   4.304
  606   1HG1  VAL  77          2HG1      VAL  77   2.568   2.193   2.193
  607   2HG1  VAL  77          1HG1      VAL  77   3.781   1.395   1.395
  608   3HG1  VAL  77          3HG1      VAL  77   2.794   2.690   2.690
  609   1HG2  VAL  77          1HG2      VAL  77   6.233   2.931   2.931
  610   2HG2  VAL  77          3HG2      VAL  77   5.666   4.582   4.582
  611   3HG2  VAL  77          2HG2      VAL  77   4.938   3.249   3.249
  612    H    ALA  78           H        ALA  78   3.323   1.064   1.064
  613    HA   ALA  78           HA       ALA  78   4.735  -1.238  -1.238
  614   1HB   ALA  78          2HB       ALA  78   2.334  -0.695  -0.695
  615   2HB   ALA  78          1HB       ALA  78   2.911  -2.352  -2.352
  616   3HB   ALA  78          3HB       ALA  78   2.393  -1.424  -1.424
  617    H    MET  79           H        MET  79   4.157   0.041   0.041
  618    HA   MET  79           HA       MET  79   5.531  -1.930  -1.930
  619   1HB   MET  79          2HB       MET  79   5.230   1.073   1.073
  620   2HB   MET  79          1HB       MET  79   5.901   0.044   0.044
  621   1HG   MET  79          2HG       MET  79   3.679  -1.349  -1.349
  622   2HG   MET  79          1HG       MET  79   3.103   0.233   0.233
  623   1HE   MET  79          3HE       MET  79   2.239   1.674   1.674
  624   2HE   MET  79          2HE       MET  79   2.440   2.282   2.282
  625   3HE   MET  79          1HE       MET  79   1.324   0.957   0.957
  626    H    ILE  80           H        ILE  80   6.740   0.900   0.900
  627    HA   ILE  80           HA       ILE  80   9.544   0.387   0.387
  628    HB   ILE  80           HB       ILE  80   8.482   2.192   2.192
  629   1HG1  ILE  80          2HG1      ILE  80   7.090   2.664   2.664
  630   2HG1  ILE  80          1HG1      ILE  80   8.325   3.920   3.920
  631   1HG2  ILE  80          3HG2      ILE  80  11.028   1.729   1.729
  632   2HG2  ILE  80          2HG2      ILE  80  10.498   3.364   3.364
  633   3HG2  ILE  80          1HG2      ILE  80  10.620   2.865   2.865
  634   1HD1  ILE  80          1HD1      ILE  80   9.424   1.798   1.798
  635   2HD1  ILE  80          3HD1      ILE  80   7.777   2.019   2.019
  636   3HD1  ILE  80          2HD1      ILE  80   8.906   3.372   3.372
  637    H    THR  81           H        THR  81   8.042   0.785   0.785
  638    HA   THR  81           HA       THR  81   9.874  -0.269  -0.269
  639    HB   THR  81           HB       THR  81   6.886  -0.646  -0.646
  640    HG1  THR  81           HG1      THR  81   8.125   1.401   1.401
  641   1HG2  THR  81          2HG2      THR  81   8.791  -1.626  -1.626
  642   2HG2  THR  81          1HG2      THR  81   7.109  -1.245  -1.245
  643   3HG2  THR  81          3HG2      THR  81   7.486  -2.504  -2.504
  644    H    THR  82           H        THR  82   7.718  -2.216  -2.216
  645    HA   THR  82           HA       THR  82   8.761  -4.756  -4.756
  646    HB   THR  82           HB       THR  82   7.313  -4.301  -4.301
  647    HG1  THR  82           HG1      THR  82   6.369  -4.075  -4.075
  648   1HG2  THR  82          2HG2      THR  82   8.148  -6.584  -6.584
  649   2HG2  THR  82          1HG2      THR  82   6.535  -6.424  -6.424
  650   3HG2  THR  82          3HG2      THR  82   6.738  -6.496  -6.496
  651    H    ALA  83           H        ALA  83   9.420  -2.620  -2.620
  652    HA   ALA  83           HA       ALA  83  11.306  -4.473  -4.473
  653   1HB   ALA  83          3HB       ALA  83   9.834  -2.660  -2.660
  654   2HB   ALA  83          2HB       ALA  83  10.983  -1.493  -1.493
  655   3HB   ALA  83          1HB       ALA  83  11.521  -2.699  -2.699
  656    H    CYS  84           H        CYS  84  11.348  -2.163  -2.163
  657    HA   CYS  84           HA       CYS  84  14.028  -1.193  -1.193
  658   1HB   CYS  84          2HB       CYS  84  12.319  -0.235  -0.235
  659   2HB   CYS  84          1HB       CYS  84  12.105  -1.768  -1.768
  660    HG   CYS  84           HG       CYS  84  13.743  -0.152  -0.152
  661    H    HIS  85           H        HIS  85  13.165  -3.260  -3.260
  662    HA   HIS  85           HA       HIS  85  14.958  -5.443  -5.443
  663   1HB   HIS  85          2HB       HIS  85  16.261  -3.292  -3.292
  664   2HB   HIS  85          1HB       HIS  85  15.791  -3.863  -3.863
  665    HD1  HIS  85           HD1      HIS  85  15.975  -6.919  -6.919
  666    HD2  HIS  85           HD2      HIS  85  18.956  -4.152  -4.152
  667    HE1  HIS  85           HE1      HIS  85  18.158  -8.204  -8.204
  668    H    GLU  86           H        GLU  86  15.461  -5.648  -5.648
  669    HA   GLU  86           HA       GLU  86  14.412  -6.793  -6.793
  670   1HB   GLU  86          2HB       GLU  86  12.532  -4.838  -4.838
  671   2HB   GLU  86          1HB       GLU  86  11.741  -6.133  -6.133
  672   1HG   GLU  86          2HG       GLU  86  12.184  -4.573  -4.573
  673   2HG   GLU  86          1HG       GLU  86  13.582  -5.642  -5.642
  674    H    PHE  87           H        PHE  87  11.932  -8.071  -8.071
  675    HA   PHE  87           HA       PHE  87  12.245 -10.532 -10.532
  676   1HB   PHE  87          2HB       PHE  87  10.513 -10.435 -10.435
  677   2HB   PHE  87          1HB       PHE  87   9.889  -8.922  -8.922
  678    HD1  PHE  87           HD1      PHE  87  10.263 -12.536 -12.536
  679    HD2  PHE  87           HD2      PHE  87   8.070  -8.897  -8.897
  680    HE1  PHE  87           HE1      PHE  87   8.655 -13.767 -13.767
  681    HE2  PHE  87           HE2      PHE  87   6.515 -10.102 -10.102
  682    HZ   PHE  87           HZ       PHE  87   6.778 -12.561 -12.561
  683    H    PHE  88           H        PHE  88  10.199  -7.873  -7.873
  684    HA   PHE  88           HA       PHE  88   9.324  -8.899  -8.899
  685   1HB   PHE  88          2HB       PHE  88  10.393  -6.170  -6.170
  686   2HB   PHE  88          1HB       PHE  88   9.591  -6.508  -6.508
  687    HD1  PHE  88           HD2      PHE  88   7.626  -8.612  -8.612
  688    HD2  PHE  88           HD1      PHE  88   8.724  -4.662  -4.662
  689    HE1  PHE  88           HE2      PHE  88   5.431  -8.363  -8.363
  690    HE2  PHE  88           HE1      PHE  88   6.518  -4.409  -4.409
  691    HZ   PHE  88           HZ       PHE  88   4.863  -6.256  -6.256
  692    H    GLU  89           H        GLU  89  10.162  -8.370  -8.370
  693    HA   GLU  89           HA       GLU  89  11.800  -9.009  -9.009
  694   1HB   GLU  89          2HB       GLU  89  11.990  -6.574  -6.574
  695   2HB   GLU  89          1HB       GLU  89  13.213  -6.942  -6.942
  696   1HG   GLU  89          2HG       GLU  89  14.617  -6.549  -6.549
  697   2HG   GLU  89          1HG       GLU  89  14.303  -8.262  -8.262
  698    H    HIS  90           H        HIS  90  11.984 -11.169 -11.169
  699    HA   HIS  90           HA       HIS  90  14.767 -11.886 -11.886
  700   1HB   HIS  90          2HB       HIS  90  14.287 -10.342 -10.342
  701   2HB   HIS  90          1HB       HIS  90  13.425 -11.733 -11.733
  702    HD1  HIS  90           HD1      HIS  90  16.724 -11.547 -11.547
  703    HD2  HIS  90           HD2      HIS  90  15.224 -12.927 -12.927
  704    HE1  HIS  90           HE1      HIS  90  18.647 -12.701 -12.701
  705    H    GLU  91           H        GLU  91  12.405 -13.024 -13.024
  706    HA   GLU  91           HA       GLU  91  11.489 -15.231 -15.231
  707   1HB   GLU  91          2HB       GLU  91  10.174 -13.977 -13.977
  708   2HB   GLU  91          1HB       GLU  91  11.162 -14.804 -14.804
  709   1HG   GLU  91          2HG       GLU  91  10.345 -16.860 -16.860
  710   2HG   GLU  91          1HG       GLU  91   8.920 -15.825 -15.825
  711   1H    MET   0          3H        MET   0   4.815   8.977   8.977
  712   2H    MET   0          2H        MET   0   5.469  10.029  10.029
  713   3H    MET   0          1H        MET   0   4.688  10.656  10.656
  714    HA   MET   0           HA       MET   0   6.428  10.053  10.053
  715   1HB   MET   0          2HB       MET   0   6.864  11.990  11.990
  716   2HB   MET   0          1HB       MET   0   7.451  10.945  10.945
  717   1HG   MET   0          2HG       MET   0   9.023  10.124  10.124
  718   2HG   MET   0          1HG       MET   0   8.811  11.830  11.830
  719   1HE   MET   0          1HE       MET   0  11.038  10.003  10.003
  720   2HE   MET   0          3HE       MET   0  12.218  11.053  11.053
  721   3HE   MET   0          2HE       MET   0  11.504   9.701   9.701
  722    H    SER   1           H        SER   1   8.079   9.207   9.207
  723    HA   SER   1           HA       SER   1   9.436   6.954   6.954
  724   1HB   SER   1          2HB       SER   1   9.019   7.217   7.217
  725   2HB   SER   1          1HB       SER   1  10.505   6.909   6.909
  726    HG   SER   1           HG       SER   1  10.241   9.068   9.068
  727    H    GLU   2           H        GLU   2   6.841   7.102   7.102
  728    HA   GLU   2           HA       GLU   2   6.293   4.434   4.434
  729   1HB   GLU   2          2HB       GLU   2   4.298   6.647   6.647
  730   2HB   GLU   2          1HB       GLU   2   3.971   5.195   5.195
  731   1HG   GLU   2          2HG       GLU   2   4.819   6.159   6.159
  732   2HG   GLU   2          1HG       GLU   2   6.336   6.494   6.494
  733    H    LEU   3           H        LEU   3   5.180   6.357   6.357
  734    HA   LEU   3           HA       LEU   3   3.650   4.371   4.371
  735   1HB   LEU   3          2HB       LEU   3   3.816   6.842   6.842
  736   2HB   LEU   3          1HB       LEU   3   5.366   6.565   6.565
  737    HG   LEU   3           HG       LEU   3   2.790   5.219   5.219
  738   1HD1  LEU   3          2HD1      LEU   3   3.922   7.878   7.878
  739   2HD1  LEU   3          1HD1      LEU   3   3.460   6.942   6.942
  740   3HD1  LEU   3          3HD1      LEU   3   2.266   7.295   7.295
  741   1HD2  LEU   3          2HD2      LEU   3   5.611   5.321   5.321
  742   2HD2  LEU   3          1HD2      LEU   3   4.585   3.913   3.913
  743   3HD2  LEU   3          3HD2      LEU   3   4.256   4.990   4.990
  744    H    GLU   4           H        GLU   4   6.743   5.425   5.425
  745    HA   GLU   4           HA       GLU   4   7.305   3.146   3.146
  746   1HB   GLU   4          2HB       GLU   4   9.082   5.048   5.048
  747   2HB   GLU   4          1HB       GLU   4   9.723   3.861   3.861
  748   1HG   GLU   4          2HG       GLU   4   9.333   5.344   5.344
  749   2HG   GLU   4          1HG       GLU   4   7.608   5.113   5.113
  750    H    LYS   5           H        LYS   5   8.383   3.763   3.763
  751    HA   LYS   5           HA       LYS   5   9.666   1.312   1.312
  752   1HB   LYS   5          2HB       LYS   5   7.895   3.056   3.056
  753   2HB   LYS   5          1HB       LYS   5   8.969   1.801   1.801
  754   1HG   LYS   5          2HG       LYS   5  10.466   3.456   3.456
  755   2HG   LYS   5          1HG       LYS   5   9.632   4.499   4.499
  756   1HD   LYS   5          2HD       LYS   5  11.049   2.043   2.043
  757   2HD   LYS   5          1HD       LYS   5  11.983   3.494   3.494
  758   1HE   LYS   5          2HE       LYS   5   9.639   4.243   4.243
  759   2HE   LYS   5          1HE       LYS   5  10.529   2.974   2.974
  760   1HZ   LYS   5          1HZ       LYS   5  12.593   4.245   4.245
  761   2HZ   LYS   5          3HZ       LYS   5  11.616   5.518   5.518
  762   3HZ   LYS   5          2HZ       LYS   5  11.545   5.038   5.038
  763    H    ALA   6           H        ALA   6   6.190   2.110   2.110
  764    HA   ALA   6           HA       ALA   6   5.289  -0.477  -0.477
  765   1HB   ALA   6          3HB       ALA   6   4.223   2.013   2.013
  766   2HB   ALA   6          2HB       ALA   6   3.342   0.594   0.594
  767   3HB   ALA   6          1HB       ALA   6   3.482   0.917   0.917
  768    H    VAL   7           H        VAL   7   6.232   0.914   0.914
  769    HA   VAL   7           HA       VAL   7   5.325  -1.208  -1.208
  770    HB   VAL   7           HB       VAL   7   6.707   1.292   1.292
  771   1HG1  VAL   7          1HG1      VAL   7   8.247  -1.005  -1.005
  772   2HG1  VAL   7          3HG1      VAL   7   8.324   0.611   0.611
  773   3HG1  VAL   7          2HG1      VAL   7   8.853   0.342   0.342
  774   1HG2  VAL   7          2HG2      VAL   7   5.481  -0.615  -0.615
  775   2HG2  VAL   7          1HG2      VAL   7   4.881   0.950   0.950
  776   3HG2  VAL   7          3HG2      VAL   7   6.259   0.870   0.870
  777    H    VAL   8           H        VAL   8   8.489  -0.516  -0.516
  778    HA   VAL   8           HA       VAL   8   9.860  -2.869  -2.869
  779    HB   VAL   8           HB       VAL   8   9.991  -1.186  -1.186
  780   1HG1  VAL   8          2HG1      VAL   8  11.530  -3.570  -3.570
  781   2HG1  VAL   8          1HG1      VAL   8  12.472  -2.228  -2.228
  782   3HG1  VAL   8          3HG1      VAL   8  11.210  -2.976  -2.976
  783   1HG2  VAL   8          2HG2      VAL   8  10.984  -0.925  -0.925
  784   2HG2  VAL   8          1HG2      VAL   8  10.823   0.305   0.305
  785   3HG2  VAL   8          3HG2      VAL   8  12.248  -0.732  -0.732
  786    H    ALA   9           H        ALA   9   7.277  -2.350  -2.350
  787    HA   ALA   9           HA       ALA   9   7.623  -4.854  -4.854
  788   1HB   ALA   9          3HB       ALA   9   6.319  -2.403  -2.403
  789   2HB   ALA   9          2HB       ALA   9   5.002  -3.541  -3.541
  790   3HB   ALA   9          1HB       ALA   9   6.132  -3.817  -3.817
  791    H    LEU  10           H        LEU  10   5.829  -3.593  -3.593
  792    HA   LEU  10           HA       LEU  10   3.948  -5.731  -5.731
  793   1HB   LEU  10          2HB       LEU  10   5.369  -3.985  -3.985
  794   2HB   LEU  10          1HB       LEU  10   3.881  -4.895  -4.895
  795    HG   LEU  10           HG       LEU  10   4.303  -2.538  -2.538
  796   1HD1  LEU  10          2HD1      LEU  10   2.622  -3.112  -3.112
  797   2HD1  LEU  10          1HD1      LEU  10   2.208  -1.807  -1.807
  798   3HD1  LEU  10          3HD1      LEU  10   3.755  -1.786  -1.786
  799   1HD2  LEU  10          2HD2      LEU  10   2.356  -4.766  -4.766
  800   2HD2  LEU  10          1HD2      LEU  10   2.879  -3.660  -3.660
  801   3HD2  LEU  10          3HD2      LEU  10   1.654  -3.152  -3.152
  802    H    ILE  11           H        ILE  11   7.205  -5.182  -5.182
  803    HA   ILE  11           HA       ILE  11   7.508  -7.441  -7.441
  804    HB   ILE  11           HB       ILE  11   9.878  -7.189  -7.189
  805   1HG1  ILE  11          2HG1      ILE  11  10.326  -5.504  -5.504
  806   2HG1  ILE  11          1HG1      ILE  11   8.873  -6.298  -6.298
  807   1HG2  ILE  11          2HG2      ILE  11   8.158  -4.935  -4.935
  808   2HG2  ILE  11          1HG2      ILE  11   9.533  -4.423  -4.423
  809   3HG2  ILE  11          3HG2      ILE  11   9.798  -5.176  -5.176
  810   1HD1  ILE  11          3HD1      ILE  11  10.205  -8.480  -8.480
  811   2HD1  ILE  11          2HD1      ILE  11  11.587  -7.429  -7.429
  812   3HD1  ILE  11          1HD1      ILE  11  10.437  -7.770  -7.770
  813    H    ASP  12           H        ASP  12   7.356  -7.183  -7.183
  814    HA   ASP  12           HA       ASP  12   8.171  -9.929  -9.929
  815   1HB   ASP  12          2HB       ASP  12   7.728  -7.422  -7.422
  816   2HB   ASP  12          1HB       ASP  12   6.641  -8.596  -8.596
  817    H    VAL  13           H        VAL  13   5.116  -8.129  -8.129
  818    HA   VAL  13           HA       VAL  13   3.409 -10.288 -10.288
  819    HB   VAL  13           HB       VAL  13   2.755  -7.892  -7.892
  820   1HG1  VAL  13          1HG1      VAL  13   1.274  -9.973  -9.973
  821   2HG1  VAL  13          3HG1      VAL  13   0.722  -8.341  -8.341
  822   3HG1  VAL  13          2HG1      VAL  13   0.735  -8.915  -8.915
  823   1HG2  VAL  13          2HG2      VAL  13   3.867  -7.934  -7.934
  824   2HG2  VAL  13          1HG2      VAL  13   3.291  -6.541  -6.541
  825   3HG2  VAL  13          3HG2      VAL  13   2.182  -7.436  -7.436
  826    H    PHE  14           H        PHE  14   4.153  -8.825  -8.825
  827    HA   PHE  14           HA       PHE  14   2.736 -10.596 -10.596
  828   1HB   PHE  14          2HB       PHE  14   4.872  -8.748  -8.748
  829   2HB   PHE  14          1HB       PHE  14   5.395 -10.292 -10.292
  830    HD1  PHE  14           HD2      PHE  14   3.612 -11.684 -11.684
  831    HD2  PHE  14           HD1      PHE  14   3.382  -7.459  -7.459
  832    HE1  PHE  14           HE2      PHE  14   2.042 -11.631 -11.631
  833    HE2  PHE  14           HE1      PHE  14   1.778  -7.355  -7.355
  834    HZ   PHE  14           HZ       PHE  14   1.095  -9.444  -9.444
  835    H    HIS  15           H        HIS  15   6.129 -11.081 -11.081
  836    HA   HIS  15           HA       HIS  15   6.786 -13.559 -13.559
  837   1HB   HIS  15          2HB       HIS  15   8.099 -12.245 -12.245
  838   2HB   HIS  15          1HB       HIS  15   6.948 -12.696 -12.696
  839    HD1  HIS  15           HD1      HIS  15  10.067 -13.767 -13.767
  840    HD2  HIS  15           HD2      HIS  15   6.784 -15.718 -15.718
  841    HE1  HIS  15           HE1      HIS  15  10.846 -16.104 -16.104
  842    H    GLN  16           H        GLN  16   4.412 -12.865 -12.865
  843    HA   GLN  16           HA       GLN  16   3.736 -15.692 -15.692
  844   1HB   GLN  16          2HB       GLN  16   2.361 -13.075 -13.075
  845   2HB   GLN  16          1HB       GLN  16   1.934 -14.659 -14.659
  846   1HG   GLN  16          2HG       GLN  16   4.115 -14.881 -14.881
  847   2HG   GLN  16          1HG       GLN  16   4.678 -13.398 -13.398
  848   1HE2  GLN  16          2HE2      GLN  16   1.617 -12.514 -12.514
  849   2HE2  GLN  16          1HE2      GLN  16   1.375 -13.527 -13.527
  850    H    TYR  17           H        TYR  17   1.677 -12.973 -12.973
  851    HA   TYR  17           HA       TYR  17  -0.424 -14.313 -14.313
  852   1HB   TYR  17          2HB       TYR  17   1.067 -11.776 -11.776
  853   2HB   TYR  17          1HB       TYR  17  -0.305 -12.258 -12.258
  854    HD1  TYR  17           HD2      TYR  17   0.775 -11.235 -11.235
  855    HD2  TYR  17           HD1      TYR  17  -2.589 -12.295 -12.295
  856    HE1  TYR  17           HE2      TYR  17  -0.773 -10.367 -10.367
  857    HE2  TYR  17           HE1      TYR  17  -4.137 -11.438 -11.438
  858    HH   TYR  17           HH       TYR  17  -3.272 -10.905 -10.905
  859    H    SER  18           H        SER  18   2.401 -13.197 -13.197
  860    HA   SER  18           HA       SER  18   1.701 -14.663 -14.663
  861   1HB   SER  18          2HB       SER  18   4.217 -14.322 -14.322
  862   2HB   SER  18          1HB       SER  18   3.262 -12.872 -12.872
  863    HG   SER  18           HG       SER  18   5.352 -13.780 -13.780
  864    H    GLY  19           H        GLY  19   3.527 -15.617 -15.617
  865   1HA   GLY  19          2HA       GLY  19   3.626 -18.382 -18.382
  866   2HA   GLY  19          1HA       GLY  19   5.058 -17.683 -17.683
  867    H    ARG  20           H        ARG  20   1.581 -18.017 -18.017
  868    HA   ARG  20           HA       ARG  20   2.469 -18.743 -18.743
  869   1HB   ARG  20          2HB       ARG  20   0.018 -18.089 -18.089
  870   2HB   ARG  20          1HB       ARG  20   1.111 -16.781 -16.781
  871   1HG   ARG  20          2HG       ARG  20   0.241 -16.650 -16.650
  872   2HG   ARG  20          1HG       ARG  20  -0.490 -18.251 -18.251
  873   1HD   ARG  20          2HD       ARG  20  -1.389 -15.746 -15.746
  874   2HD   ARG  20          1HD       ARG  20  -2.288 -16.649 -16.649
  875    HE   ARG  20           HE       ARG  20  -1.731 -17.616 -17.616
  876   1HH1  ARG  20          1HH2      ARG  20  -1.775 -19.681 -19.681
  877   2HH1  ARG  20          2HH2      ARG  20  -3.413 -20.233 -20.233
  878   1HH2  ARG  20          2HH1      ARG  20  -4.448 -17.591 -17.591
  879   2HH2  ARG  20          1HH1      ARG  20  -4.927 -19.049 -19.049
  880    H    GLU  21           H        GLU  21   2.525 -20.674 -20.674
  881    HA   GLU  21           HA       GLU  21   1.969 -22.959 -22.959
  882   1HB   GLU  21          2HB       GLU  21   1.007 -23.850 -23.850
  883   2HB   GLU  21          1HB       GLU  21   1.050 -22.212 -22.212
  884   1HG   GLU  21          2HG       GLU  21  -1.255 -21.931 -21.931
  885   2HG   GLU  21          1HG       GLU  21  -1.267 -23.692 -23.692
  886    H    GLY  22           H        GLY  22   0.845 -23.859 -23.859
  887   1HA   GLY  22          2HA       GLY  22  -1.083 -24.284 -24.284
  888   2HA   GLY  22          1HA       GLY  22  -1.840 -22.836 -22.836
  889    H    ASP  23           H        ASP  23   0.777 -21.336 -21.336
  890    HA   ASP  23           HA       ASP  23   0.618 -21.166 -21.166
  891   1HB   ASP  23          2HB       ASP  23  -0.084 -19.207 -19.207
  892   2HB   ASP  23          1HB       ASP  23   0.870 -18.561 -18.561
  893    H    LYS  24           H        LYS  24   2.377 -19.002 -19.002
  894    HA   LYS  24           HA       LYS  24   4.879 -19.881 -19.881
  895   1HB   LYS  24          2HB       LYS  24   4.188 -20.635 -20.635
  896   2HB   LYS  24          1HB       LYS  24   5.071 -19.144 -19.144
  897   1HG   LYS  24          2HG       LYS  24   6.749 -20.809 -20.809
  898   2HG   LYS  24          1HG       LYS  24   6.873 -20.088 -20.088
  899   1HD   LYS  24          2HD       LYS  24   6.001 -21.943 -21.943
  900   2HD   LYS  24          1HD       LYS  24   5.001 -22.388 -22.388
  901   1HE   LYS  24          2HE       LYS  24   6.600 -24.011 -24.011
  902   2HE   LYS  24          1HE       LYS  24   7.523 -22.690 -22.690
  903   1HZ   LYS  24          3HZ       LYS  24   8.314 -22.115 -22.115
  904   2HZ   LYS  24          2HZ       LYS  24   7.584 -23.536 -23.536
  905   3HZ   LYS  24          1HZ       LYS  24   8.858 -23.628 -23.628
  906    H    HIS  25           H        HIS  25   4.000 -17.498 -17.498
  907    HA   HIS  25           HA       HIS  25   4.806 -15.287 -15.287
  908   1HB   HIS  25          2HB       HIS  25   6.863 -15.902 -15.902
  909   2HB   HIS  25          1HB       HIS  25   6.091 -16.094 -16.094
  910    HD1  HIS  25           HD1      HIS  25   7.915 -14.315 -14.315
  911    HD2  HIS  25           HD2      HIS  25   5.078 -12.843 -12.843
  912    HE1  HIS  25           HE1      HIS  25   8.030 -11.790 -11.790
  913    H    LYS  26           H        LYS  26   2.238 -15.568 -15.568
  914    HA   LYS  26           HA       LYS  26   1.684 -13.256 -13.256
  915   1HB   LYS  26          2HB       LYS  26   0.802 -16.098 -16.098
  916   2HB   LYS  26          1HB       LYS  26  -0.097 -14.720 -14.720
  917   1HG   LYS  26          2HG       LYS  26   1.341 -14.873 -14.873
  918   2HG   LYS  26          1HG       LYS  26   2.455 -14.028 -14.028
  919   1HD   LYS  26          2HD       LYS  26   2.828 -16.579 -16.579
  920   2HD   LYS  26          1HD       LYS  26   2.443 -16.866 -16.866
  921   1HE   LYS  26          2HE       LYS  26   4.173 -14.775 -14.775
  922   2HE   LYS  26          1HE       LYS  26   4.831 -15.580 -15.580
  923   1HZ   LYS  26          2HZ       LYS  26   3.987 -17.131 -17.131
  924   2HZ   LYS  26          1HZ       LYS  26   5.546 -16.461 -16.461
  925   3HZ   LYS  26          3HZ       LYS  26   5.044 -17.591 -17.591
  926    H    LEU  27           H        LEU  27  -0.639 -12.596 -12.596
  927    HA   LEU  27           HA       LEU  27  -1.742 -13.494 -13.494
  928   1HB   LEU  27          2HB       LEU  27  -1.105 -10.918 -10.918
  929   2HB   LEU  27          1HB       LEU  27  -2.792 -10.984 -10.984
  930    HG   LEU  27           HG       LEU  27  -1.026 -10.237 -10.237
  931   1HD1  LEU  27          3HD1      LEU  27  -3.458 -11.639 -11.639
  932   2HD1  LEU  27          2HD1      LEU  27  -2.384 -12.367 -12.367
  933   3HD1  LEU  27          1HD1      LEU  27  -2.708 -10.634 -10.634
  934   1HD2  LEU  27          2HD2      LEU  27   0.206 -12.578 -12.578
  935   2HD2  LEU  27          1HD2      LEU  27   0.491 -11.729 -11.729
  936   3HD2  LEU  27          3HD2      LEU  27  -0.660 -13.063 -13.063
  937    H    LYS  28           H        LYS  28  -3.556 -14.714 -14.714
  938    HA   LYS  28           HA       LYS  28  -5.051 -14.529 -14.529
  939   1HB   LYS  28          2HB       LYS  28  -4.303 -16.569 -16.569
  940   2HB   LYS  28          1HB       LYS  28  -5.871 -16.235 -16.235
  941   1HG   LYS  28          2HG       LYS  28  -7.034 -16.634 -16.634
  942   2HG   LYS  28          1HG       LYS  28  -5.557 -16.534 -16.534
  943   1HD   LYS  28          2HD       LYS  28  -5.747 -18.624 -18.624
  944   2HD   LYS  28          1HD       LYS  28  -6.588 -18.891 -18.891
  945   1HE   LYS  28          2HE       LYS  28  -4.146 -18.025 -18.025
  946   2HE   LYS  28          1HE       LYS  28  -3.688 -18.922 -18.922
  947   1HZ   LYS  28          1HZ       LYS  28  -5.146 -20.737 -20.737
  948   2HZ   LYS  28          3HZ       LYS  28  -5.437 -19.900 -19.900
  949   3HZ   LYS  28          2HZ       LYS  28  -3.871 -20.450 -20.450
  950    H    LYS  29           H        LYS  29  -7.373 -14.148 -14.148
  951    HA   LYS  29           HA       LYS  29  -8.389 -11.932 -11.932
  952   1HB   LYS  29          2HB       LYS  29  -9.883 -14.476 -14.476
  953   2HB   LYS  29          1HB       LYS  29 -10.590 -12.866 -12.866
  954   1HG   LYS  29          2HG       LYS  29  -9.987 -12.375 -12.375
  955   2HG   LYS  29          1HG       LYS  29  -8.305 -12.764 -12.764
  956   1HD   LYS  29          2HD       LYS  29  -8.645 -15.086 -15.086
  957   2HD   LYS  29          1HD       LYS  29 -10.394 -14.872 -14.872
  958   1HE   LYS  29          2HE       LYS  29  -8.731 -13.181 -13.181
  959   2HE   LYS  29          1HE       LYS  29  -8.908 -14.899 -14.899
  960   1HZ   LYS  29          1HZ       LYS  29 -11.399 -14.118 -14.118
  961   2HZ   LYS  29          3HZ       LYS  29 -10.863 -12.813 -12.813
  962   3HZ   LYS  29          2HZ       LYS  29 -10.919 -14.374 -14.374
  963    H    SER  30           H        SER  30  -7.984 -15.175 -15.175
  964    HA   SER  30           HA       SER  30  -9.669 -14.809 -14.809
  965   1HB   SER  30          2HB       SER  30  -8.949 -17.007 -17.007
  966   2HB   SER  30          1HB       SER  30  -8.885 -16.950 -16.950
  967    HG   SER  30           HG       SER  30  -6.765 -16.668 -16.668
  968    H    GLU  31           H        GLU  31  -6.122 -14.898 -14.898
  969    HA   GLU  31           HA       GLU  31  -5.370 -14.221 -14.221
  970   1HB   GLU  31          2HB       GLU  31  -3.847 -13.410 -13.410
  971   2HB   GLU  31          1HB       GLU  31  -3.204 -13.943 -13.943
  972   1HG   GLU  31          2HG       GLU  31  -4.459 -16.174 -16.174
  973   2HG   GLU  31          1HG       GLU  31  -4.463 -15.600 -15.600
  974    H    LEU  32           H        LEU  32  -6.533 -12.361 -12.361
  975    HA   LEU  32           HA       LEU  32  -5.689  -9.745  -9.745
  976   1HB   LEU  32          2HB       LEU  32  -6.777 -10.910 -10.910
  977   2HB   LEU  32          1HB       LEU  32  -8.081  -9.885  -9.885
  978    HG   LEU  32           HG       LEU  32  -6.528  -7.969  -7.969
  979   1HD1  LEU  32          2HD1      LEU  32  -4.550  -9.835  -9.835
  980   2HD1  LEU  32          1HD1      LEU  32  -4.463  -9.376  -9.376
  981   3HD1  LEU  32          3HD1      LEU  32  -4.277  -8.150  -8.150
  982   1HD2  LEU  32          2HD2      LEU  32  -7.674  -9.092  -9.092
  983   2HD2  LEU  32          1HD2      LEU  32  -6.928  -7.495  -7.495
  984   3HD2  LEU  32          3HD2      LEU  32  -5.996  -8.884  -8.884
  985    H    LYS  33           H        LYS  33  -9.001 -11.114 -11.114
  986    HA   LYS  33           HA       LYS  33 -10.385  -9.302  -9.302
  987   1HB   LYS  33          2HB       LYS  33 -10.977 -11.598 -11.598
  988   2HB   LYS  33          1HB       LYS  33 -10.919 -12.221 -12.221
  989   1HG   LYS  33          2HG       LYS  33 -12.690 -10.026 -10.026
  990   2HG   LYS  33          1HG       LYS  33 -13.185 -11.548 -11.548
  991   1HD   LYS  33          2HD       LYS  33 -12.153 -10.795 -10.795
  992   2HD   LYS  33          1HD       LYS  33 -11.792  -9.242  -9.242
  993   1HE   LYS  33          2HE       LYS  33 -13.985  -8.550  -8.550
  994   2HE   LYS  33          1HE       LYS  33 -14.613 -10.187 -10.187
  995   1HZ   LYS  33          1HZ       LYS  33 -13.487 -10.634 -10.634
  996   2HZ   LYS  33          3HZ       LYS  33 -13.680  -8.962  -8.962
  997   3HZ   LYS  33          2HZ       LYS  33 -15.038  -9.943  -9.943
  998    H    GLU  34           H        GLU  34  -8.794 -12.305 -12.305
  999    HA   GLU  34           HA       GLU  34  -9.198 -12.045 -12.045
 1000   1HB   GLU  34          2HB       GLU  34  -7.757 -13.647 -13.647
 1001   2HB   GLU  34          1HB       GLU  34  -6.460 -12.792 -12.792
 1002   1HG   GLU  34          2HG       GLU  34  -7.589 -13.407 -13.407
 1003   2HG   GLU  34          1HG       GLU  34  -8.698 -14.418 -14.418
 1004    H    LEU  35           H        LEU  35  -6.374 -10.870 -10.870
 1005    HA   LEU  35           HA       LEU  35  -4.988  -9.451  -9.451
 1006   1HB   LEU  35          2HB       LEU  35  -4.810  -9.792  -9.792
 1007   2HB   LEU  35          1HB       LEU  35  -5.523  -8.181  -8.181
 1008    HG   LEU  35           HG       LEU  35  -3.384  -8.386  -8.386
 1009   1HD1  LEU  35          3HD1      LEU  35  -2.945  -9.703  -9.703
 1010   2HD1  LEU  35          2HD1      LEU  35  -1.958  -8.243  -8.243
 1011   3HD1  LEU  35          1HD1      LEU  35  -1.808  -9.465  -9.465
 1012   1HD2  LEU  35          2HD2      LEU  35  -4.559  -6.354  -6.354
 1013   2HD2  LEU  35          1HD2      LEU  35  -2.805  -6.280  -6.280
 1014   3HD2  LEU  35          3HD2      LEU  35  -3.525  -6.655  -6.655
 1015    H    ILE  36           H        ILE  36  -8.076  -8.509  -8.509
 1016    HA   ILE  36           HA       ILE  36  -7.943  -5.846  -5.846
 1017    HB   ILE  36           HB       ILE  36 -10.477  -6.830  -6.830
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.020  -7.984  -7.984
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.554  -6.505  -6.505
 1020   1HG2  ILE  36          3HG2      ILE  36  -9.725  -4.451  -4.451
 1021   2HG2  ILE  36          2HG2      ILE  36  -8.845  -4.456  -4.456
 1022   3HG2  ILE  36          1HG2      ILE  36 -10.599  -4.651  -4.651
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.118  -6.146  -6.146
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.930  -7.290  -7.290
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.466  -5.644  -5.644
 1026    H    ASN  37           H        ASN  37  -9.908  -8.821  -8.821
 1027    HA   ASN  37           HA       ASN  37 -11.449  -7.847  -7.847
 1028   1HB   ASN  37          2HB       ASN  37 -12.568  -9.884  -9.884
 1029   2HB   ASN  37          1HB       ASN  37 -11.908  -9.651  -9.651
 1030   1HD2  ASN  37          2HD2      ASN  37 -11.083 -13.125 -13.125
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.535 -12.263 -12.263
 1032    H    ASN  38           H        ASN  38  -8.312  -9.267  -9.267
 1033    HA   ASN  38           HA       ASN  38  -8.110 -10.653 -10.653
 1034   1HB   ASN  38          2HB       ASN  38  -6.493  -9.893  -9.893
 1035   2HB   ASN  38          1HB       ASN  38  -5.639  -9.411  -9.411
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.305 -13.176 -13.176
 1037   2HD2  ASN  38          1HD2      ASN  38  -5.477 -11.850 -11.850
 1038    H    GLU  39           H        GLU  39  -7.636  -7.279  -7.279
 1039    HA   GLU  39           HA       GLU  39  -7.209  -6.552  -6.552
 1040   1HB   GLU  39          2HB       GLU  39  -5.338  -6.034  -6.034
 1041   2HB   GLU  39          1HB       GLU  39  -6.419  -5.270  -5.270
 1042   1HG   GLU  39          2HG       GLU  39  -5.199  -3.635  -3.635
 1043   2HG   GLU  39          1HG       GLU  39  -6.957  -3.497  -3.497
 1044    H    LEU  40           H        LEU  40  -8.743  -5.508  -5.508
 1045    HA   LEU  40           HA       LEU  40 -10.468  -3.587  -3.587
 1046   1HB   LEU  40          2HB       LEU  40 -10.324  -4.401  -4.401
 1047   2HB   LEU  40          1HB       LEU  40 -11.104  -2.956  -2.956
 1048    HG   LEU  40           HG       LEU  40  -8.392  -3.096  -3.096
 1049   1HD1  LEU  40          2HD1      LEU  40  -8.809  -3.372  -3.372
 1050   2HD1  LEU  40          1HD1      LEU  40  -7.334  -2.707  -2.707
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.799  -4.372  -4.372
 1052   1HD2  LEU  40          3HD2      LEU  40 -10.068  -1.237  -1.237
 1053   2HD2  LEU  40          2HD2      LEU  40  -9.464  -0.998  -0.998
 1054   3HD2  LEU  40          1HD2      LEU  40  -8.357  -0.907  -0.907
 1055    H    SER  41           H        SER  41 -11.241  -5.843  -5.843
 1056    HA   SER  41           HA       SER  41 -12.860  -7.762  -7.762
 1057   1HB   SER  41          2HB       SER  41 -13.927  -6.203  -6.203
 1058   2HB   SER  41          1HB       SER  41 -13.724  -7.943  -7.943
 1059    HG   SER  41           HG       SER  41 -12.076  -6.164  -6.164
 1060    H    HIS  42           H        HIS  42 -13.593  -4.318  -4.318
 1061    HA   HIS  42           HA       HIS  42 -16.341  -4.178  -4.178
 1062   1HB   HIS  42          2HB       HIS  42 -13.976  -2.698  -2.698
 1063   2HB   HIS  42          1HB       HIS  42 -15.568  -2.301  -2.301
 1064    HD1  HIS  42           HD1      HIS  42 -16.903  -0.677  -0.677
 1065    HD2  HIS  42           HD2      HIS  42 -13.983  -2.548  -2.548
 1066    HE1  HIS  42           HE1      HIS  42 -17.013   0.393   0.393
 1067    H    PHE  43           H        PHE  43 -13.910  -5.095  -5.095
 1068    HA   PHE  43           HA       PHE  43 -15.851  -5.342  -5.342
 1069   1HB   PHE  43          2HB       PHE  43 -12.982  -6.157  -6.157
 1070   2HB   PHE  43          1HB       PHE  43 -13.830  -6.605  -6.605
 1071    HD1  PHE  43           HD1      PHE  43 -15.498  -4.344  -4.344
 1072    HD2  PHE  43           HD2      PHE  43 -11.544  -4.405  -4.405
 1073    HE1  PHE  43           HE1      PHE  43 -15.065  -2.079  -2.079
 1074    HE2  PHE  43           HE2      PHE  43 -11.111  -2.137  -2.137
 1075    HZ   PHE  43           HZ       PHE  43 -12.877  -0.975  -0.975
 1076    H    LEU  44           H        LEU  44 -14.813  -7.395  -7.395
 1077    HA   LEU  44           HA       LEU  44 -15.284  -9.983  -9.983
 1078   1HB   LEU  44          2HB       LEU  44 -14.693  -8.929  -8.929
 1079   2HB   LEU  44          1HB       LEU  44 -16.423  -9.148  -9.148
 1080    HG   LEU  44           HG       LEU  44 -15.851 -11.548 -11.548
 1081   1HD1  LEU  44          3HD1      LEU  44 -13.300 -10.326 -10.326
 1082   2HD1  LEU  44          2HD1      LEU  44 -13.531 -11.769 -11.769
 1083   3HD1  LEU  44          1HD1      LEU  44 -13.629 -11.879 -11.879
 1084   1HD2  LEU  44          3HD2      LEU  44 -16.337 -10.473 -10.473
 1085   2HD2  LEU  44          2HD2      LEU  44 -16.595 -12.132 -12.132
 1086   3HD2  LEU  44          1HD2      LEU  44 -15.051 -11.667 -11.667
 1087    H    GLU  45           H        GLU  45 -17.474  -7.498  -7.498
 1088    HA   GLU  45           HA       GLU  45 -19.902  -9.009  -9.009
 1089   1HB   GLU  45          2HB       GLU  45 -19.066  -7.036  -7.036
 1090   2HB   GLU  45          1HB       GLU  45 -20.259  -6.262  -6.262
 1091   1HG   GLU  45          2HG       GLU  45 -21.850  -7.268  -7.268
 1092   2HG   GLU  45          1HG       GLU  45 -21.341  -8.787  -8.787
 1093    H    GLU  46           H        GLU  46 -17.760  -6.540  -6.540
 1094    HA   GLU  46           HA       GLU  46 -17.843  -5.086  -5.086
 1095   1HB   GLU  46          2HB       GLU  46 -17.818  -6.470  -6.470
 1096   2HB   GLU  46          1HB       GLU  46 -18.056  -7.754  -7.754
 1097   1HG   GLU  46          2HG       GLU  46 -20.625  -7.102  -7.102
 1098   2HG   GLU  46          1HG       GLU  46 -20.008  -6.547  -6.547
 1099    H    ILE  47           H        ILE  47 -20.146  -5.049  -5.049
 1100    HA   ILE  47           HA       ILE  47 -22.350  -4.093  -4.093
 1101    HB   ILE  47           HB       ILE  47 -22.421  -6.020  -6.020
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.344  -5.053  -5.053
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.760  -5.545  -5.545
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.739  -3.519  -3.519
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.052  -5.166  -5.166
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.414  -4.674  -4.674
 1107   1HD1  ILE  47          3HD1      ILE  47 -24.094  -3.021  -3.021
 1108   2HD1  ILE  47          2HD1      ILE  47 -24.523  -2.797  -2.797
 1109   3HD1  ILE  47          1HD1      ILE  47 -25.714  -3.435  -3.435
 1110    H    LYS  48           H        LYS  48 -20.264  -3.317  -3.317
 1111    HA   LYS  48           HA       LYS  48 -21.383  -0.932  -0.932
 1112   1HB   LYS  48          2HB       LYS  48 -18.421  -1.309  -1.309
 1113   2HB   LYS  48          1HB       LYS  48 -19.201  -0.504  -0.504
 1114   1HG   LYS  48          2HG       LYS  48 -18.972  -3.462  -3.462
 1115   2HG   LYS  48          1HG       LYS  48 -18.510  -2.572  -2.572
 1116   1HD   LYS  48          2HD       LYS  48 -20.789  -2.245  -2.245
 1117   2HD   LYS  48          1HD       LYS  48 -21.385  -2.792  -2.792
 1118   1HE   LYS  48          2HE       LYS  48 -21.681  -4.717  -4.717
 1119   2HE   LYS  48          1HE       LYS  48 -20.077  -5.015  -5.015
 1120   1HZ   LYS  48          3HZ       LYS  48 -20.599  -3.668  -3.668
 1121   2HZ   LYS  48          2HZ       LYS  48 -20.047  -5.264  -5.264
 1122   3HZ   LYS  48          1HZ       LYS  48 -19.071  -3.962  -3.962
 1123    H    GLU  49           H        GLU  49 -19.952  -1.585  -1.585
 1124    HA   GLU  49           HA       GLU  49 -20.349   1.268   1.268
 1125   1HB   GLU  49          2HB       GLU  49 -18.093   1.095   1.095
 1126   2HB   GLU  49          1HB       GLU  49 -18.020   1.103   1.103
 1127   1HG   GLU  49          2HG       GLU  49 -18.057  -1.450  -1.450
 1128   2HG   GLU  49          1HG       GLU  49 -17.765  -1.274  -1.274
 1129    H    GLN  50           H        GLN  50 -22.170   0.496   0.496
 1130    HA   GLN  50           HA       GLN  50 -22.037  -1.692  -1.692
 1131   1HB   GLN  50          2HB       GLN  50 -23.776   0.670   0.670
 1132   2HB   GLN  50          1HB       GLN  50 -23.995  -0.150  -0.150
 1133   1HG   GLN  50          2HG       GLN  50 -23.854  -2.289  -2.289
 1134   2HG   GLN  50          1HG       GLN  50 -24.608  -1.095  -1.095
 1135   1HE2  GLN  50          2HE2      GLN  50 -26.622  -2.025  -2.025
 1136   2HE2  GLN  50          1HE2      GLN  50 -24.925  -1.989  -1.989
 1137    H    GLU  51           H        GLU  51 -22.039   1.836   1.836
 1138    HA   GLU  51           HA       GLU  51 -21.461   1.757   1.757
 1139   1HB   GLU  51          2HB       GLU  51 -21.938   3.788   3.788
 1140   2HB   GLU  51          1HB       GLU  51 -20.403   3.630   3.630
 1141   1HG   GLU  51          2HG       GLU  51 -19.325   3.623   3.623
 1142   2HG   GLU  51          1HG       GLU  51 -20.869   4.282   4.282
 1143    H    VAL  52           H        VAL  52 -19.104   1.580   1.580
 1144    HA   VAL  52           HA       VAL  52 -16.814   1.380   1.380
 1145    HB   VAL  52           HB       VAL  52 -17.156   0.702   0.702
 1146   1HG1  VAL  52          1HG1      VAL  52 -14.906   0.578   0.578
 1147   2HG1  VAL  52          3HG1      VAL  52 -14.571   1.620   1.620
 1148   3HG1  VAL  52          2HG1      VAL  52 -15.038  -0.059  -0.059
 1149   1HG2  VAL  52          3HG2      VAL  52 -17.590   3.134   3.134
 1150   2HG2  VAL  52          2HG2      VAL  52 -16.893   2.928   2.928
 1151   3HG2  VAL  52          1HG2      VAL  52 -15.843   3.210   3.210
 1152    H    VAL  53           H        VAL  53 -19.043  -0.849  -0.849
 1153    HA   VAL  53           HA       VAL  53 -17.457  -3.240  -3.240
 1154    HB   VAL  53           HB       VAL  53 -20.343  -2.575  -2.575
 1155   1HG1  VAL  53          2HG1      VAL  53 -19.142  -5.255  -5.255
 1156   2HG1  VAL  53          1HG1      VAL  53 -20.586  -5.121  -5.121
 1157   3HG1  VAL  53          3HG1      VAL  53 -20.601  -4.506  -4.506
 1158   1HG2  VAL  53          3HG2      VAL  53 -18.081  -2.862  -2.862
 1159   2HG2  VAL  53          2HG2      VAL  53 -19.736  -3.025  -3.025
 1160   3HG2  VAL  53          1HG2      VAL  53 -18.822  -4.458  -4.458
 1161    H    ASP  54           H        ASP  54 -19.533  -1.159  -1.159
 1162    HA   ASP  54           HA       ASP  54 -20.084  -2.979  -2.979
 1163   1HB   ASP  54          2HB       ASP  54 -21.589  -1.197  -1.197
 1164   2HB   ASP  54          1HB       ASP  54 -20.314  -0.046  -0.046
 1165    H    LYS  55           H        LYS  55 -17.747  -0.372  -0.372
 1166    HA   LYS  55           HA       LYS  55 -16.302  -0.721  -0.721
 1167   1HB   LYS  55          2HB       LYS  55 -15.961   0.800   0.800
 1168   2HB   LYS  55          1HB       LYS  55 -14.663   0.772   0.772
 1169   1HG   LYS  55          2HG       LYS  55 -15.807   2.601   2.601
 1170   2HG   LYS  55          1HG       LYS  55 -16.715   1.345   1.345
 1171   1HD   LYS  55          2HD       LYS  55 -18.370   1.312   1.312
 1172   2HD   LYS  55          1HD       LYS  55 -17.473   2.573   2.573
 1173   1HE   LYS  55          2HE       LYS  55 -18.256   3.098   3.098
 1174   2HE   LYS  55          1HE       LYS  55 -19.513   3.209   3.209
 1175   1HZ   LYS  55          3HZ       LYS  55 -17.539   4.430   4.430
 1176   2HZ   LYS  55          2HZ       LYS  55 -17.095   4.809   4.809
 1177   3HZ   LYS  55          1HZ       LYS  55 -18.620   5.267   5.267
 1178    H    VAL  56           H        VAL  56 -15.396  -1.216  -1.216
 1179    HA   VAL  56           HA       VAL  56 -13.012  -2.556  -2.556
 1180    HB   VAL  56           HB       VAL  56 -15.515  -3.031  -3.031
 1181   1HG1  VAL  56          2HG1      VAL  56 -14.236  -5.148  -5.148
 1182   2HG1  VAL  56          1HG1      VAL  56 -12.792  -4.284  -4.284
 1183   3HG1  VAL  56          3HG1      VAL  56 -14.183  -4.411  -4.411
 1184   1HG2  VAL  56          2HG2      VAL  56 -13.486  -1.089  -1.089
 1185   2HG2  VAL  56          1HG2      VAL  56 -14.693  -1.364  -1.364
 1186   3HG2  VAL  56          3HG2      VAL  56 -13.118  -2.149  -2.149
 1187    H    MET  57           H        MET  57 -16.212  -4.116  -4.116
 1188    HA   MET  57           HA       MET  57 -15.100  -6.702  -6.702
 1189   1HB   MET  57          2HB       MET  57 -17.840  -5.447  -5.447
 1190   2HB   MET  57          1HB       MET  57 -17.486  -7.167  -7.167
 1191   1HG   MET  57          2HG       MET  57 -17.057  -5.519  -5.519
 1192   2HG   MET  57          1HG       MET  57 -18.400  -6.631  -6.631
 1193   1HE   MET  57          3HE       MET  57 -18.119  -8.730  -8.730
 1194   2HE   MET  57          2HE       MET  57 -16.559  -9.399  -9.399
 1195   3HE   MET  57          1HE       MET  57 -17.341  -9.959  -9.959
 1196    H    GLU  58           H        GLU  58 -16.161  -3.846  -3.846
 1197    HA   GLU  58           HA       GLU  58 -16.447  -4.874  -4.874
 1198   1HB   GLU  58          2HB       GLU  58 -16.439  -2.647  -2.647
 1199   2HB   GLU  58          1HB       GLU  58 -16.412  -2.426  -2.426
 1200   1HG   GLU  58          2HG       GLU  58 -14.666  -1.040  -1.040
 1201   2HG   GLU  58          1HG       GLU  58 -13.838  -2.477  -2.477
 1202    H    THR  59           H        THR  59 -13.441  -4.112  -4.112
 1203    HA   THR  59           HA       THR  59 -11.795  -5.017  -5.017
 1204    HB   THR  59           HB       THR  59 -11.338  -3.786  -3.786
 1205    HG1  THR  59           HG1      THR  59 -10.516  -3.038  -3.038
 1206   1HG2  THR  59          3HG2      THR  59  -9.346  -5.149  -5.149
 1207   2HG2  THR  59          2HG2      THR  59  -8.856  -3.811  -3.811
 1208   3HG2  THR  59          1HG2      THR  59  -9.522  -5.281  -5.281
 1209    H    LEU  60           H        LEU  60 -12.219  -5.881  -5.881
 1210    HA   LEU  60           HA       LEU  60 -10.641  -8.157  -8.157
 1211   1HB   LEU  60          2HB       LEU  60 -12.615  -6.882  -6.882
 1212   2HB   LEU  60          1HB       LEU  60 -13.355  -8.447  -8.447
 1213    HG   LEU  60           HG       LEU  60 -10.733  -7.905  -7.905
 1214   1HD1  LEU  60          1HD1      LEU  60 -13.120  -8.006  -8.006
 1215   2HD1  LEU  60          3HD1      LEU  60 -12.921  -9.746  -9.746
 1216   3HD1  LEU  60          2HD1      LEU  60 -11.759  -8.832  -8.832
 1217   1HD2  LEU  60          1HD2      LEU  60 -11.658 -10.277 -10.277
 1218   2HD2  LEU  60          3HD2      LEU  60 -10.017  -9.755  -9.755
 1219   3HD2  LEU  60          2HD2      LEU  60 -10.975 -10.608 -10.608
 1220    H    ASP  61           H        ASP  61 -13.690  -7.775  -7.775
 1221    HA   ASP  61           HA       ASP  61 -14.136 -10.619 -10.619
 1222   1HB   ASP  61          2HB       ASP  61 -15.265  -7.975  -7.975
 1223   2HB   ASP  61          1HB       ASP  61 -15.550  -9.282  -9.282
 1224    H    SER  62           H        SER  62 -12.899  -7.862  -7.862
 1225    HA   SER  62           HA       SER  62 -11.947  -9.660  -9.660
 1226   1HB   SER  62          2HB       SER  62 -11.107  -6.974  -6.974
 1227   2HB   SER  62          1HB       SER  62 -12.420  -7.804  -7.804
 1228    HG   SER  62           HG       SER  62 -13.818  -6.818  -6.818
 1229    H    ASP  63           H        ASP  63 -10.369  -6.852  -6.852
 1230    HA   ASP  63           HA       ASP  63  -8.111  -6.556  -6.556
 1231   1HB   ASP  63          2HB       ASP  63  -9.352  -8.212  -8.212
 1232   2HB   ASP  63          1HB       ASP  63  -8.224  -9.392  -9.392
 1233    H    GLY  64           H        GLY  64  -5.910  -7.912  -7.912
 1234   1HA   GLY  64          2HA       GLY  64  -5.003  -8.209  -8.209
 1235   2HA   GLY  64          1HA       GLY  64  -4.498  -9.371  -9.371
 1236    H    ASP  65           H        ASP  65  -7.121 -10.554 -10.554
 1237    HA   ASP  65           HA       ASP  65  -8.627 -12.076 -12.076
 1238   1HB   ASP  65          2HB       ASP  65  -8.517 -10.318 -10.318
 1239   2HB   ASP  65          1HB       ASP  65  -7.362 -11.399 -11.399
 1240    H    GLY  66           H        GLY  66  -7.929 -14.036 -14.036
 1241   1HA   GLY  66          2HA       GLY  66  -7.087 -16.235 -16.235
 1242   2HA   GLY  66          1HA       GLY  66  -5.851 -15.431 -15.431
 1243    H    GLU  67           H        GLU  67  -4.309 -14.023 -14.023
 1244    HA   GLU  67           HA       GLU  67  -3.950 -14.844 -14.844
 1245   1HB   GLU  67          2HB       GLU  67  -2.835 -16.596 -16.596
 1246   2HB   GLU  67          1HB       GLU  67  -2.003 -15.398 -15.398
 1247   1HG   GLU  67          2HG       GLU  67  -0.344 -15.856 -15.856
 1248   2HG   GLU  67          1HG       GLU  67  -1.161 -14.512 -14.512
 1249    H    CYS  68           H        CYS  68  -3.245 -13.056 -13.056
 1250    HA   CYS  68           HA       CYS  68  -2.289 -10.716 -10.716
 1251   1HB   CYS  68          2HB       CYS  68  -2.784 -10.836 -10.836
 1252   2HB   CYS  68          1HB       CYS  68  -2.937  -9.462  -9.462
 1253    HG   CYS  68           HG       CYS  68  -5.127 -10.494 -10.494
 1254    H    ASP  69           H        ASP  69  -0.422  -9.447  -9.447
 1255    HA   ASP  69           HA       ASP  69   1.492 -11.294 -11.294
 1256   1HB   ASP  69          2HB       ASP  69   2.027  -9.677  -9.677
 1257   2HB   ASP  69          1HB       ASP  69   3.180 -10.691 -10.691
 1258    H    PHE  70           H        PHE  70   3.079 -10.238 -10.238
 1259    HA   PHE  70           HA       PHE  70   3.458  -8.417  -8.417
 1260   1HB   PHE  70          2HB       PHE  70   4.686  -8.304  -8.304
 1261   2HB   PHE  70          1HB       PHE  70   5.097  -7.060  -7.060
 1262    HD1  PHE  70           HD2      PHE  70   4.115 -10.079 -10.079
 1263    HD2  PHE  70           HD1      PHE  70   7.452  -8.206  -8.206
 1264    HE1  PHE  70           HE2      PHE  70   5.653 -11.619 -11.619
 1265    HE2  PHE  70           HE1      PHE  70   8.995  -9.739  -9.739
 1266    HZ   PHE  70           HZ       PHE  70   8.087 -11.456 -11.456
 1267    H    GLN  71           H        GLN  71   3.324  -6.620  -6.620
 1268    HA   GLN  71           HA       GLN  71   2.485  -4.174  -4.174
 1269   1HB   GLN  71          2HB       GLN  71   3.341  -3.951  -3.951
 1270   2HB   GLN  71          1HB       GLN  71   2.672  -5.485  -5.485
 1271   1HG   GLN  71          2HG       GLN  71   0.430  -3.811  -3.811
 1272   2HG   GLN  71          1HG       GLN  71   1.649  -2.793  -2.793
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.236  -5.502  -5.502
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.766  -5.047  -5.047
 1275    H    GLU  72           H        GLU  72   0.389  -6.625  -6.625
 1276    HA   GLU  72           HA       GLU  72  -2.028  -5.263  -5.263
 1277   1HB   GLU  72          2HB       GLU  72  -1.299  -8.158  -8.158
 1278   2HB   GLU  72          1HB       GLU  72  -2.976  -7.618  -7.618
 1279   1HG   GLU  72          2HG       GLU  72  -2.145  -6.350  -6.350
 1280   2HG   GLU  72          1HG       GLU  72  -0.751  -7.425  -7.425
 1281    H    PHE  73           H        PHE  73  -0.726  -7.265  -7.265
 1282    HA   PHE  73           HA       PHE  73  -2.880  -6.898  -6.898
 1283   1HB   PHE  73          2HB       PHE  73  -1.265  -8.249  -8.249
 1284   2HB   PHE  73          1HB       PHE  73   0.049  -7.318  -7.318
 1285    HD1  PHE  73           HD1      PHE  73  -2.764  -6.145  -6.145
 1286    HD2  PHE  73           HD2      PHE  73   1.460  -6.810  -6.810
 1287    HE1  PHE  73           HE1      PHE  73  -2.427  -4.934  -4.934
 1288    HE2  PHE  73           HE2      PHE  73   1.802  -5.622  -5.622
 1289    HZ   PHE  73           HZ       PHE  73  -0.144  -4.673  -4.673
 1290    H    MET  74           H        MET  74   0.049  -4.828  -4.828
 1291    HA   MET  74           HA       MET  74  -1.063  -2.739  -2.739
 1292   1HB   MET  74          2HB       MET  74   1.011  -2.659  -2.659
 1293   2HB   MET  74          1HB       MET  74   0.817  -1.440  -1.440
 1294   1HG   MET  74          2HG       MET  74   1.594  -2.860  -2.860
 1295   2HG   MET  74          1HG       MET  74   1.188  -4.318  -4.318
 1296   1HE   MET  74          2HE       MET  74   3.269  -1.509  -1.509
 1297   2HE   MET  74          1HE       MET  74   4.366  -2.777  -2.777
 1298   3HE   MET  74          3HE       MET  74   4.831  -1.709  -1.709
 1299    H    ALA  75           H        ALA  75  -1.311  -3.427  -3.427
 1300    HA   ALA  75           HA       ALA  75  -2.280  -0.882  -0.882
 1301   1HB   ALA  75          2HB       ALA  75  -1.398  -2.771  -2.771
 1302   2HB   ALA  75          1HB       ALA  75  -2.856  -3.688  -3.688
 1303   3HB   ALA  75          3HB       ALA  75  -2.970  -2.208  -2.208
 1304    H    PHE  76           H        PHE  76  -4.144  -3.874  -3.874
 1305    HA   PHE  76           HA       PHE  76  -6.699  -2.553  -2.553
 1306   1HB   PHE  76          2HB       PHE  76  -6.499  -4.843  -4.843
 1307   2HB   PHE  76          1HB       PHE  76  -5.663  -5.266  -5.266
 1308    HD1  PHE  76           HD2      PHE  76  -8.926  -3.861  -3.861
 1309    HD2  PHE  76           HD1      PHE  76  -6.874  -6.147  -6.147
 1310    HE1  PHE  76           HE2      PHE  76 -11.095  -4.415  -4.415
 1311    HE2  PHE  76           HE1      PHE  76  -9.043  -6.700  -6.700
 1312    HZ   PHE  76           HZ       PHE  76 -11.156  -5.834  -5.834
 1313    H    VAL  77           H        VAL  77  -4.717  -3.924  -3.924
 1314    HA   VAL  77           HA       VAL  77  -6.399  -3.419  -3.419
 1315    HB   VAL  77           HB       VAL  77  -3.949  -4.321  -4.321
 1316   1HG1  VAL  77          2HG1      VAL  77  -2.982  -2.250  -2.250
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.442  -1.378  -1.378
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.234  -2.660  -2.660
 1319   1HG2  VAL  77          1HG2      VAL  77  -5.319  -2.859  -2.859
 1320   2HG2  VAL  77          3HG2      VAL  77  -4.697  -4.510  -4.510
 1321   3HG2  VAL  77          2HG2      VAL  77  -3.598  -3.159  -3.159
 1322    H    ALA  78           H        ALA  78  -4.377  -1.148  -1.148
 1323    HA   ALA  78           HA       ALA  78  -4.999   1.214   1.214
 1324   1HB   ALA  78          2HB       ALA  78  -3.992   0.569   0.569
 1325   2HB   ALA  78          1HB       ALA  78  -4.366   2.241   2.241
 1326   3HB   ALA  78          3HB       ALA  78  -3.141   1.349   1.349
 1327    H    MET  79           H        MET  79  -6.364  -0.200  -0.200
 1328    HA   MET  79           HA       MET  79  -8.354   1.735   1.735
 1329   1HB   MET  79          2HB       MET  79  -8.254  -1.283  -1.283
 1330   2HB   MET  79          1HB       MET  79  -9.528  -0.293  -0.293
 1331   1HG   MET  79          2HG       MET  79  -7.427   1.079   1.079
 1332   2HG   MET  79          1HG       MET  79  -6.644  -0.491  -0.491
 1333   1HE   MET  79          3HE       MET  79  -6.485  -1.973  -1.973
 1334   2HE   MET  79          2HE       MET  79  -7.567  -2.645  -2.645
 1335   3HE   MET  79          1HE       MET  79  -6.488  -1.320  -1.320
 1336    H    ILE  80           H        ILE  80  -8.340  -1.002  -1.002
 1337    HA   ILE  80           HA       ILE  80 -11.102  -0.472  -0.472
 1338    HB   ILE  80           HB       ILE  80  -8.987  -2.211  -2.211
 1339   1HG1  ILE  80          2HG1      ILE  80  -8.902  -2.786  -2.786
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.894  -4.010  -4.010
 1341   1HG2  ILE  80          3HG2      ILE  80 -11.787  -1.752  -1.752
 1342   2HG2  ILE  80          2HG2      ILE  80 -11.562  -3.410  -3.410
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.717  -2.846  -2.846
 1344   1HD1  ILE  80          1HD1      ILE  80 -11.656  -1.925  -1.925
 1345   2HD1  ILE  80          3HD1      ILE  80 -10.621  -2.183  -2.183
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.551  -3.522  -3.522
 1347    H    THR  81           H        THR  81  -8.059  -0.777  -0.777
 1348    HA   THR  81           HA       THR  81  -8.615   0.370   0.370
 1349    HB   THR  81           HB       THR  81  -6.260   0.688   0.688
 1350    HG1  THR  81           HG1      THR  81  -6.992  -1.315  -1.315
 1351   1HG2  THR  81          2HG2      THR  81  -6.645   1.787   1.787
 1352   2HG2  THR  81          1HG2      THR  81  -5.041   1.388   1.388
 1353   3HG2  THR  81          3HG2      THR  81  -6.021   2.609   2.609
 1354    H    THR  82           H        THR  82  -8.020   2.196   2.196
 1355    HA   THR  82           HA       THR  82  -8.330   4.787   4.787
 1356    HB   THR  82           HB       THR  82  -8.588   4.198   4.198
 1357    HG1  THR  82           HG1      THR  82  -6.322   4.099   4.099
 1358   1HG2  THR  82          2HG2      THR  82  -8.636   6.541   6.541
 1359   2HG2  THR  82          1HG2      THR  82  -6.909   6.401   6.401
 1360   3HG2  THR  82          3HG2      THR  82  -8.072   6.391   6.391
 1361    H    ALA  83           H        ALA  83 -10.397   2.573   2.573
 1362    HA   ALA  83           HA       ALA  83 -12.682   4.409   4.409
 1363   1HB   ALA  83          3HB       ALA  83 -12.062   2.523   2.523
 1364   2HB   ALA  83          2HB       ALA  83 -12.640   1.409   1.409
 1365   3HB   ALA  83          1HB       ALA  83 -13.746   2.579   2.579
 1366    H    CYS  84           H        CYS  84 -11.267   2.198   2.198
 1367    HA   CYS  84           HA       CYS  84 -13.534   1.276   1.276
 1368   1HB   CYS  84          2HB       CYS  84 -11.309   0.342   0.342
 1369   2HB   CYS  84          1HB       CYS  84 -10.663   1.902   1.902
 1370    HG   CYS  84           HG       CYS  84 -11.241   0.360   0.360
 1371    H    HIS  85           H        HIS  85 -11.307   3.430   3.430
 1372    HA   HIS  85           HA       HIS  85 -13.249   5.611   5.611
 1373   1HB   HIS  85          2HB       HIS  85 -13.847   3.512   3.512
 1374   2HB   HIS  85          1HB       HIS  85 -12.567   4.145   4.145
 1375    HD1  HIS  85           HD1      HIS  85 -13.609   7.136   7.136
 1376    HD2  HIS  85           HD2      HIS  85 -15.542   4.455   4.455
 1377    HE1  HIS  85           HE1      HIS  85 -15.401   8.457   8.457
 1378    H    GLU  86           H        GLU  86 -11.927   5.940   5.940
 1379    HA   GLU  86           HA       GLU  86 -10.064   7.135   7.135
 1380   1HB   GLU  86          2HB       GLU  86  -9.149   5.114   5.114
 1381   2HB   GLU  86          1HB       GLU  86  -7.996   6.426   6.426
 1382   1HG   GLU  86          2HG       GLU  86  -7.401   4.933   4.933
 1383   2HG   GLU  86          1HG       GLU  86  -8.494   6.031   6.031
 1384    H    PHE  87           H        PHE  87  -7.932   8.371   8.371
 1385    HA   PHE  87           HA       PHE  87  -8.907  10.795  10.795
 1386   1HB   PHE  87          2HB       PHE  87  -6.583  10.721  10.721
 1387   2HB   PHE  87          1HB       PHE  87  -6.426   9.173   9.173
 1388    HD1  PHE  87           HD1      PHE  87  -7.210  12.769  12.769
 1389    HD2  PHE  87           HD2      PHE  87  -5.827   9.054   9.054
 1390    HE1  PHE  87           HE1      PHE  87  -6.720  13.913  13.913
 1391    HE2  PHE  87           HE2      PHE  87  -5.385  10.173  10.173
 1392    HZ   PHE  87           HZ       PHE  87  -5.804  12.623  12.623
 1393    H    PHE  88           H        PHE  88  -7.900   8.053   8.053
 1394    HA   PHE  88           HA       PHE  88  -8.529   8.965   8.965
 1395   1HB   PHE  88          2HB       PHE  88  -8.995   6.285   6.285
 1396   2HB   PHE  88          1HB       PHE  88  -9.211   6.547   6.547
 1397    HD1  PHE  88           HD2      PHE  88  -6.964   8.657   8.657
 1398    HD2  PHE  88           HD1      PHE  88  -7.107   4.786   4.786
 1399    HE1  PHE  88           HE2      PHE  88  -4.545   8.413   8.413
 1400    HE2  PHE  88           HE1      PHE  88  -4.670   4.541   4.541
 1401    HZ   PHE  88           HZ       PHE  88  -3.380   6.354   6.354
 1402    H    GLU  89           H        GLU  89 -10.496   8.338   8.338
 1403    HA   GLU  89           HA       GLU  89 -12.752   8.965   8.965
 1404   1HB   GLU  89          2HB       GLU  89 -12.625   6.557   6.557
 1405   2HB   GLU  89          1HB       GLU  89 -12.957   6.999   6.999
 1406   1HG   GLU  89          2HG       GLU  89 -15.117   6.571   6.571
 1407   2HG   GLU  89          1HG       GLU  89 -15.021   8.264   8.264
 1408    H    HIS  90           H        HIS  90 -12.130  11.182  11.182
 1409    HA   HIS  90           HA       HIS  90 -14.357  11.957  11.957
 1410   1HB   HIS  90          2HB       HIS  90 -12.802  10.488  10.488
 1411   2HB   HIS  90          1HB       HIS  90 -11.731  11.890  11.890
 1412    HD1  HIS  90           HD1      HIS  90 -15.533  11.665  11.665
 1413    HD2  HIS  90           HD2      HIS  90 -12.270  13.199  13.199
 1414    HE1  HIS  90           HE1      HIS  90 -16.481  12.904  12.904
 1415    H    GLU  91           H        GLU  91 -13.061  13.009  13.009
 1416    HA   GLU  91           HA       GLU  91 -11.365  15.267  15.267
 1417   1HB   GLU  91          2HB       GLU  91 -11.277  13.923  13.923
 1418   2HB   GLU  91          1HB       GLU  91 -12.776  14.727  14.727
 1419   1HG   GLU  91          2HG       GLU  91 -11.164  16.823  16.823
 1420   2HG   GLU  91          1HG       GLU  91 -10.041  15.761  15.761

  Start of MODEL   12
    1   1H    MET   0          1H        MET   0   0.016  -9.923  -9.923
    2   2H    MET   0          3H        MET   0  -0.706 -10.441 -10.441
    3   3H    MET   0          2H        MET   0  -0.102 -11.583 -11.583
    4    HA   MET   0           HA       MET   0  -1.809 -11.171 -11.171
    5   1HB   MET   0          2HB       MET   0  -3.667 -11.867 -11.867
    6   2HB   MET   0          1HB       MET   0  -2.232 -12.441 -12.441
    7   1HG   MET   0          2HG       MET   0  -2.301 -10.402 -10.402
    8   2HG   MET   0          1HG       MET   0  -3.794  -9.918  -9.918
    9   1HE   MET   0          3HE       MET   0  -4.196  -9.824  -9.824
   10   2HE   MET   0          2HE       MET   0  -5.597  -9.934  -9.934
   11   3HE   MET   0          1HE       MET   0  -5.528 -10.917 -10.917
   12    H    SER   1           H        SER   1  -1.926  -8.811  -8.811
   13    HA   SER   1           HA       SER   1  -3.831  -7.093  -7.093
   14   1HB   SER   1          2HB       SER   1  -2.198  -6.612  -6.612
   15   2HB   SER   1          1HB       SER   1  -3.660  -5.756  -5.756
   16    HG   SER   1           HG       SER   1  -4.553  -8.047  -8.047
   17    H    GLU   2           H        GLU   2  -0.401  -7.486  -7.486
   18    HA   GLU   2           HA       GLU   2   0.807  -5.044  -5.044
   19   1HB   GLU   2          2HB       GLU   2   1.033  -7.625  -7.625
   20   2HB   GLU   2          1HB       GLU   2   2.055  -6.263  -6.263
   21   1HG   GLU   2          2HG       GLU   2   2.533  -6.134  -6.134
   22   2HG   GLU   2          1HG       GLU   2   2.020  -7.821  -7.821
   23    H    LEU   3           H        LEU   3  -1.505  -6.433  -6.433
   24    HA   LEU   3           HA       LEU   3  -1.043  -4.522  -4.522
   25   1HB   LEU   3          2HB       LEU   3  -3.299  -6.423  -6.423
   26   2HB   LEU   3          1HB       LEU   3  -3.149  -5.586  -5.586
   27    HG   LEU   3           HG       LEU   3  -0.637  -6.722  -6.722
   28   1HD1  LEU   3          2HD1      LEU   3  -2.104  -8.028  -8.028
   29   2HD1  LEU   3          1HD1      LEU   3  -2.522  -8.994  -8.994
   30   3HD1  LEU   3          3HD1      LEU   3  -0.836  -8.828  -8.828
   31   1HD2  LEU   3          3HD2      LEU   3  -3.076  -7.354  -7.354
   32   2HD2  LEU   3          2HD2      LEU   3  -1.495  -6.786  -6.786
   33   3HD2  LEU   3          1HD2      LEU   3  -1.712  -8.470  -8.470
   34    H    GLU   4           H        GLU   4  -4.009  -4.998  -4.998
   35    HA   GLU   4           HA       GLU   4  -5.223  -2.516  -2.516
   36   1HB   GLU   4          2HB       GLU   4  -6.409  -2.877  -2.877
   37   2HB   GLU   4          1HB       GLU   4  -6.276  -4.378  -4.378
   38   1HG   GLU   4          2HG       GLU   4  -4.288  -4.997  -4.997
   39   2HG   GLU   4          1HG       GLU   4  -4.467  -3.506  -3.506
   40    H    LYS   5           H        LYS   5  -2.792  -3.355  -3.355
   41    HA   LYS   5           HA       LYS   5  -2.691  -0.777  -0.777
   42   1HB   LYS   5          2HB       LYS   5  -0.585  -2.955  -2.955
   43   2HB   LYS   5          1HB       LYS   5  -0.714  -1.760  -1.760
   44   1HG   LYS   5          2HG       LYS   5  -2.913  -2.703  -2.703
   45   2HG   LYS   5          1HG       LYS   5  -2.773  -3.922  -3.922
   46   1HD   LYS   5          2HD       LYS   5  -2.066  -4.863  -4.863
   47   2HD   LYS   5          1HD       LYS   5  -0.682  -4.748  -4.748
   48   1HE   LYS   5          2HE       LYS   5   0.319  -3.061  -3.061
   49   2HE   LYS   5          1HE       LYS   5  -1.235  -2.412  -2.412
   50   1HZ   LYS   5          2HZ       LYS   5  -0.459  -5.142  -5.142
   51   2HZ   LYS   5          1HZ       LYS   5   0.227  -3.835  -3.835
   52   3HZ   LYS   5          3HZ       LYS   5  -1.456  -4.039  -4.039
   53    H    ALA   6           H        ALA   6  -0.893  -2.310  -2.310
   54    HA   ALA   6           HA       ALA   6   0.961  -0.148  -0.148
   55   1HB   ALA   6          1HB       ALA   6  -0.193  -2.419  -2.419
   56   2HB   ALA   6          3HB       ALA   6   0.955  -1.284  -1.284
   57   3HB   ALA   6          2HB       ALA   6   1.431  -2.276  -2.276
   58    H    VAL   7           H        VAL   7  -2.330  -0.867  -0.867
   59    HA   VAL   7           HA       VAL   7  -2.615   1.232   1.232
   60    HB   VAL   7           HB       VAL   7  -4.256  -0.651  -0.651
   61   1HG1  VAL   7          1HG1      VAL   7  -5.221   1.888   1.888
   62   2HG1  VAL   7          3HG1      VAL   7  -6.214   0.456   0.456
   63   3HG1  VAL   7          2HG1      VAL   7  -5.839   0.966   0.966
   64   1HG2  VAL   7          1HG2      VAL   7  -3.632  -0.173  -0.173
   65   2HG2  VAL   7          3HG2      VAL   7  -3.623  -1.681  -1.681
   66   3HG2  VAL   7          2HG2      VAL   7  -5.154  -0.967  -0.967
   67    H    VAL   8           H        VAL   8  -3.729   0.903   0.903
   68    HA   VAL   8           HA       VAL   8  -4.702   3.482   3.482
   69    HB   VAL   8           HB       VAL   8  -3.334   1.345   1.345
   70   1HG1  VAL   8          1HG1      VAL   8  -4.110   4.072   4.072
   71   2HG1  VAL   8          3HG1      VAL   8  -3.803   2.669   2.669
   72   3HG1  VAL   8          2HG1      VAL   8  -2.506   3.341   3.341
   73   1HG2  VAL   8          2HG2      VAL   8  -6.015   2.175   2.175
   74   2HG2  VAL   8          1HG2      VAL   8  -5.483   0.707   0.707
   75   3HG2  VAL   8          3HG2      VAL   8  -5.803   2.171   2.171
   76    H    ALA   9           H        ALA   9  -1.429   2.392   2.392
   77    HA   ALA   9           HA       ALA   9  -0.183   4.849   4.849
   78   1HB   ALA   9          1HB       ALA   9   0.699   2.423   2.423
   79   2HB   ALA   9          3HB       ALA   9   1.068   2.644   2.644
   80   3HB   ALA   9          2HB       ALA   9   1.842   3.669   3.669
   81    H    LEU  10           H        LEU  10   0.033   3.193   3.193
   82    HA   LEU  10           HA       LEU  10   0.988   5.319   5.319
   83   1HB   LEU  10          2HB       LEU  10  -1.112   3.225   3.225
   84   2HB   LEU  10          1HB       LEU  10  -0.233   4.174   4.174
   85    HG   LEU  10           HG       LEU  10   1.555   2.914   2.914
   86   1HD1  LEU  10          1HD1      LEU  10  -0.659   1.346   1.346
   87   2HD1  LEU  10          3HD1      LEU  10   0.790   0.770   0.770
   88   3HD1  LEU  10          2HD1      LEU  10   0.738   0.818   0.818
   89   1HD2  LEU  10          3HD2      LEU  10   1.318   3.456   3.456
   90   2HD2  LEU  10          2HD2      LEU  10   2.747   3.481   3.481
   91   3HD2  LEU  10          1HD2      LEU  10   2.156   1.952   1.952
   92    H    ILE  11           H        ILE  11  -2.407   4.607   4.607
   93    HA   ILE  11           HA       ILE  11  -3.707   6.652   6.652
   94    HB   ILE  11           HB       ILE  11  -5.317   6.533   6.533
   95   1HG1  ILE  11          2HG1      ILE  11  -4.570   4.942   4.942
   96   2HG1  ILE  11          1HG1      ILE  11  -2.947   5.432   5.432
   97   1HG2  ILE  11          1HG2      ILE  11  -4.039   4.071   4.071
   98   2HG2  ILE  11          3HG2      ILE  11  -5.251   3.885   3.885
   99   3HG2  ILE  11          2HG2      ILE  11  -5.667   4.686   4.686
  100   1HD1  ILE  11          1HD1      ILE  11  -4.517   7.783   7.783
  101   2HD1  ILE  11          3HD1      ILE  11  -4.900   6.915   6.915
  102   3HD1  ILE  11          2HD1      ILE  11  -3.227   7.344   7.344
  103    H    ASP  12           H        ASP  12  -1.743   6.798   6.798
  104    HA   ASP  12           HA       ASP  12  -2.248   9.539   9.539
  105   1HB   ASP  12          2HB       ASP  12  -0.858   7.366   7.366
  106   2HB   ASP  12          1HB       ASP  12   0.453   8.415   8.415
  107    H    VAL  13           H        VAL  13   0.043   7.877   7.877
  108    HA   VAL  13           HA       VAL  13   1.663  10.072  10.072
  109    HB   VAL  13           HB       VAL  13   0.670   7.673   7.673
  110   1HG1  VAL  13          3HG1      VAL  13   1.772   9.564   9.564
  111   2HG1  VAL  13          2HG1      VAL  13   3.235   9.212   9.212
  112   3HG1  VAL  13          1HG1      VAL  13   2.545   7.986   7.986
  113   1HG2  VAL  13          3HG2      VAL  13   1.795   7.238   7.238
  114   2HG2  VAL  13          2HG2      VAL  13   2.588   6.506   6.506
  115   3HG2  VAL  13          1HG2      VAL  13   3.243   7.980   7.980
  116    H    PHE  14           H        PHE  14  -1.300   8.768   8.768
  117    HA   PHE  14           HA       PHE  14  -1.513  10.777  10.777
  118   1HB   PHE  14          2HB       PHE  14  -3.305   8.733   8.733
  119   2HB   PHE  14          1HB       PHE  14  -4.160  10.215  10.215
  120    HD1  PHE  14           HD1      PHE  14  -3.458  11.322  11.322
  121    HD2  PHE  14           HD2      PHE  14  -2.749   7.199   7.199
  122    HE1  PHE  14           HE1      PHE  14  -3.158  10.820  10.820
  123    HE2  PHE  14           HE2      PHE  14  -2.450   6.692   6.692
  124    HZ   PHE  14           HZ       PHE  14  -2.665   8.504   8.504
  125    H    HIS  15           H        HIS  15  -2.998  10.727  10.727
  126    HA   HIS  15           HA       HIS  15  -4.386  13.111  13.111
  127   1HB   HIS  15          2HB       HIS  15  -4.183  11.650  11.650
  128   2HB   HIS  15          1HB       HIS  15  -2.438  11.899  11.899
  129    HD1  HIS  15           HD1      HIS  15  -5.702  13.714  13.714
  130    HD2  HIS  15           HD2      HIS  15  -1.632  14.227  14.227
  131    HE1  HIS  15           HE1      HIS  15  -5.502  15.705  15.705
  132    H    GLN  16           H        GLN  16  -0.863  12.702  12.702
  133    HA   GLN  16           HA       GLN  16  -0.408  15.627  15.627
  134   1HB   GLN  16          2HB       GLN  16   1.370  13.159  13.159
  135   2HB   GLN  16          1HB       GLN  16   1.975  14.810  14.810
  136   1HG   GLN  16          2HG       GLN  16   0.744  15.110  15.110
  137   2HG   GLN  16          1HG       GLN  16   0.011  13.515  13.515
  138   1HE2  GLN  16          1HE2      GLN  16   3.019  15.210  15.210
  139   2HE2  GLN  16          2HE2      GLN  16   3.844  13.846  13.846
  140    H    TYR  17           H        TYR  17   1.000  13.030  13.030
  141    HA   TYR  17           HA       TYR  17   2.050  14.310  14.310
  142   1HB   TYR  17          2HB       TYR  17   0.587  11.757  11.757
  143   2HB   TYR  17          1HB       TYR  17   0.938  12.192  12.192
  144    HD1  TYR  17           HD2      TYR  17   2.394  11.407  11.407
  145    HD2  TYR  17           HD1      TYR  17   3.231  12.376  12.376
  146    HE1  TYR  17           HE2      TYR  17   4.750  10.702  10.702
  147    HE2  TYR  17           HE1      TYR  17   5.587  11.701  11.701
  148    HH   TYR  17           HH       TYR  17   7.193  11.405  11.405
  149    H    SER  18           H        SER  18  -1.414  13.334  13.334
  150    HA   SER  18           HA       SER  18  -1.996  14.700  14.700
  151   1HB   SER  18          2HB       SER  18  -3.278  13.050  13.050
  152   2HB   SER  18          1HB       SER  18  -4.348  14.344  14.344
  153    HG   SER  18           HG       SER  18  -4.540  12.553  12.553
  154    H    GLY  19           H        GLY  19  -2.093  15.659  15.659
  155   1HA   GLY  19          2HA       GLY  19  -3.074  18.341  18.341
  156   2HA   GLY  19          1HA       GLY  19  -3.597  17.618  17.618
  157    H    ARG  20           H        ARG  20  -0.314  17.679  17.679
  158    HA   ARG  20           HA       ARG  20   0.581  19.079  19.079
  159   1HB   ARG  20          2HB       ARG  20   2.777  18.003  18.003
  160   2HB   ARG  20          1HB       ARG  20   1.484  16.835  16.835
  161   1HG   ARG  20          2HG       ARG  20   1.230  16.412  16.412
  162   2HG   ARG  20          1HG       ARG  20   2.082  17.886  17.886
  163   1HD   ARG  20          2HD       ARG  20   3.375  15.515  15.515
  164   2HD   ARG  20          1HD       ARG  20   3.511  15.871  15.871
  165    HE   ARG  20           HE       ARG  20   4.249  18.253  18.253
  166   1HH1  ARG  20          2HH1      ARG  20   4.914  16.853  16.853
  167   2HH1  ARG  20          1HH1      ARG  20   6.579  16.435  16.435
  168   1HH2  ARG  20          1HH2      ARG  20   6.492  16.918  16.918
  169   2HH2  ARG  20          2HH2      ARG  20   7.472  16.471  16.471
  170    H    GLU  21           H        GLU  21  -0.088  19.684  19.684
  171    HA   GLU  21           HA       GLU  21   1.888  21.932  21.932
  172   1HB   GLU  21          2HB       GLU  21   2.712  20.193  20.193
  173   2HB   GLU  21          1HB       GLU  21   1.107  19.923  19.923
  174   1HG   GLU  21          2HG       GLU  21   2.303  21.226  21.226
  175   2HG   GLU  21          1HG       GLU  21   1.186  22.334  22.334
  176    H    GLY  22           H        GLY  22  -0.481  20.979  20.979
  177   1HA   GLY  22          2HA       GLY  22  -2.359  23.091  23.091
  178   2HA   GLY  22          1HA       GLY  22  -1.593  23.320  23.320
  179    H    ASP  23           H        ASP  23  -2.097  20.048  20.048
  180    HA   ASP  23           HA       ASP  23  -4.326  19.872  19.872
  181   1HB   ASP  23          2HB       ASP  23  -2.360  17.838  17.838
  182   2HB   ASP  23          1HB       ASP  23  -3.569  17.502  17.502
  183    H    LYS  24           H        LYS  24  -6.099  18.362  18.362
  184    HA   LYS  24           HA       LYS  24  -6.851  18.482  18.482
  185   1HB   LYS  24          2HB       LYS  24  -8.107  18.188  18.188
  186   2HB   LYS  24          1HB       LYS  24  -8.835  17.154  17.154
  187   1HG   LYS  24          2HG       LYS  24  -9.612  18.928  18.928
  188   2HG   LYS  24          1HG       LYS  24  -8.255  19.966  19.966
  189   1HD   LYS  24          2HD       LYS  24  -9.405  19.705  19.705
  190   2HD   LYS  24          1HD       LYS  24 -10.837  19.513  19.513
  191   1HE   LYS  24          2HE       LYS  24 -10.724  21.855  21.855
  192   2HE   LYS  24          1HE       LYS  24  -9.918  21.640  21.640
  193   1HZ   LYS  24          1HZ       LYS  24  -8.365  21.393  21.393
  194   2HZ   LYS  24          3HZ       LYS  24  -8.708  22.937  22.937
  195   3HZ   LYS  24          2HZ       LYS  24  -7.837  21.824  21.824
  196    H    HIS  25           H        HIS  25  -7.192  15.836  15.836
  197    HA   HIS  25           HA       HIS  25  -5.829  13.971  13.971
  198   1HB   HIS  25          2HB       HIS  25  -8.710  14.164  14.164
  199   2HB   HIS  25          1HB       HIS  25  -8.039  12.537  12.537
  200    HD1  HIS  25           HD1      HIS  25  -9.987  14.107  14.107
  201    HD2  HIS  25           HD2      HIS  25  -5.963  13.100  13.100
  202    HE1  HIS  25           HE1      HIS  25  -9.529  14.039  14.039
  203    H    LYS  26           H        LYS  26  -4.650  14.721  14.721
  204    HA   LYS  26           HA       LYS  26  -4.657  12.266  12.266
  205   1HB   LYS  26          2HB       LYS  26  -6.450  13.978  13.978
  206   2HB   LYS  26          1HB       LYS  26  -5.079  14.936  14.936
  207   1HG   LYS  26          2HG       LYS  26  -5.316  12.033  12.033
  208   2HG   LYS  26          1HG       LYS  26  -6.193  13.252  13.252
  209   1HD   LYS  26          2HD       LYS  26  -3.260  13.642  13.642
  210   2HD   LYS  26          1HD       LYS  26  -3.766  12.538  12.538
  211   1HE   LYS  26          2HE       LYS  26  -4.404  15.499  15.499
  212   2HE   LYS  26          1HE       LYS  26  -3.485  14.678  14.678
  213   1HZ   LYS  26          3HZ       LYS  26  -5.694  13.238  13.238
  214   2HZ   LYS  26          2HZ       LYS  26  -6.363  14.707  14.707
  215   3HZ   LYS  26          1HZ       LYS  26  -5.513  14.639  14.639
  216    H    LEU  27           H        LEU  27  -2.460  11.867  11.867
  217    HA   LEU  27           HA       LEU  27  -0.634  14.235  14.235
  218   1HB   LEU  27          2HB       LEU  27  -0.441  11.330  11.330
  219   2HB   LEU  27          1HB       LEU  27   1.028  12.162  12.162
  220    HG   LEU  27           HG       LEU  27  -0.110  13.951  13.951
  221   1HD1  LEU  27          3HD1      LEU  27  -1.518  11.629  11.629
  222   2HD1  LEU  27          2HD1      LEU  27  -0.210  11.488  11.488
  223   3HD1  LEU  27          1HD1      LEU  27  -1.273  12.893  12.893
  224   1HD2  LEU  27          1HD2      LEU  27   2.242  12.556  12.556
  225   2HD2  LEU  27          3HD2      LEU  27   1.910  13.676  13.676
  226   3HD2  LEU  27          2HD2      LEU  27   1.656  11.944  11.944
  227    H    LYS  28           H        LYS  28   0.845  14.500  14.500
  228    HA   LYS  28           HA       LYS  28  -0.009  13.101  13.101
  229   1HB   LYS  28          2HB       LYS  28   1.650  15.556  15.556
  230   2HB   LYS  28          1HB       LYS  28   1.334  14.985  14.985
  231   1HG   LYS  28          2HG       LYS  28  -0.758  15.837  15.837
  232   2HG   LYS  28          1HG       LYS  28  -1.110  15.147  15.147
  233   1HD   LYS  28          2HD       LYS  28  -1.199  17.632  17.632
  234   2HD   LYS  28          1HD       LYS  28   0.050  17.003  17.003
  235   1HE   LYS  28          2HE       LYS  28   1.386  18.513  18.513
  236   2HE   LYS  28          1HE       LYS  28   1.450  17.253  17.253
  237   1HZ   LYS  28          3HZ       LYS  28  -0.823  18.284  18.284
  238   2HZ   LYS  28          2HZ       LYS  28  -0.232  19.661  19.661
  239   3HZ   LYS  28          1HZ       LYS  28   0.619  19.010  19.010
  240    H    LYS  29           H        LYS  29   1.587  12.165  12.165
  241    HA   LYS  29           HA       LYS  29   3.445  10.398  10.398
  242   1HB   LYS  29          2HB       LYS  29   4.845  11.566  11.566
  243   2HB   LYS  29          1HB       LYS  29   3.581  10.350  10.350
  244   1HG   LYS  29          2HG       LYS  29   1.919  11.966  11.966
  245   2HG   LYS  29          1HG       LYS  29   2.932  13.279  13.279
  246   1HD   LYS  29          2HD       LYS  29   4.171  11.831  11.831
  247   2HD   LYS  29          1HD       LYS  29   2.625  12.551  12.551
  248   1HE   LYS  29          2HE       LYS  29   4.891  14.055  14.055
  249   2HE   LYS  29          1HE       LYS  29   4.509  14.144  14.144
  250   1HZ   LYS  29          3HZ       LYS  29   2.093  14.480  14.480
  251   2HZ   LYS  29          2HZ       LYS  29   3.105  15.291  15.291
  252   3HZ   LYS  29          1HZ       LYS  29   3.085  15.747  15.747
  253    H    SER  30           H        SER  30   4.148  13.882  13.882
  254    HA   SER  30           HA       SER  30   6.901  13.742  13.742
  255   1HB   SER  30          2HB       SER  30   4.761  15.745  15.745
  256   2HB   SER  30          1HB       SER  30   5.998  16.222  16.222
  257    HG   SER  30           HG       SER  30   6.164  16.345  16.345
  258    H    GLU  31           H        GLU  31   4.002  14.764  14.764
  259    HA   GLU  31           HA       GLU  31   5.201  14.918  14.918
  260   1HB   GLU  31          2HB       GLU  31   2.557  14.692  14.692
  261   2HB   GLU  31          1HB       GLU  31   2.626  13.814  13.814
  262   1HG   GLU  31          2HG       GLU  31   3.818  16.559  16.559
  263   2HG   GLU  31          1HG       GLU  31   2.063  16.403  16.403
  264    H    LEU  32           H        LEU  32   4.049  12.179  12.179
  265    HA   LEU  32           HA       LEU  32   4.200  10.094  10.094
  266   1HB   LEU  32          2HB       LEU  32   3.566  10.318  10.318
  267   2HB   LEU  32          1HB       LEU  32   5.199   9.685   9.685
  268    HG   LEU  32           HG       LEU  32   2.877   8.402   8.402
  269   1HD1  LEU  32          2HD1      LEU  32   3.762   8.213   8.213
  270   2HD1  LEU  32          1HD1      LEU  32   4.545   6.836   6.836
  271   3HD1  LEU  32          3HD1      LEU  32   2.790   7.002   7.002
  272   1HD2  LEU  32          3HD2      LEU  32   5.077   8.297   8.297
  273   2HD2  LEU  32          2HD2      LEU  32   4.378   6.738   6.738
  274   3HD2  LEU  32          1HD2      LEU  32   5.730   7.386   7.386
  275    H    LYS  33           H        LYS  33   6.719  11.347  11.347
  276    HA   LYS  33           HA       LYS  33   8.892   9.737   9.737
  277   1HB   LYS  33          2HB       LYS  33   8.384  12.141  12.141
  278   2HB   LYS  33          1HB       LYS  33   9.603  12.558  12.558
  279   1HG   LYS  33          2HG       LYS  33   9.780  10.303  10.303
  280   2HG   LYS  33          1HG       LYS  33  10.707  11.804  11.804
  281   1HD   LYS  33          2HD       LYS  33  11.860  11.220  11.220
  282   2HD   LYS  33          1HD       LYS  33  10.798   9.838   9.838
  283   1HE   LYS  33          2HE       LYS  33  12.625   8.761   8.761
  284   2HE   LYS  33          1HE       LYS  33  11.698   9.153   9.153
  285   1HZ   LYS  33          1HZ       LYS  33  12.900  11.251  11.251
  286   2HZ   LYS  33          3HZ       LYS  33  13.807  10.853  10.853
  287   3HZ   LYS  33          2HZ       LYS  33  13.978   9.940   9.940
  288    H    GLU  34           H        GLU  34   8.073  12.888  12.888
  289    HA   GLU  34           HA       GLU  34   9.881  12.903  12.903
  290   1HB   GLU  34          2HB       GLU  34   7.506  14.196  14.196
  291   2HB   GLU  34          1HB       GLU  34   7.155  13.548  13.548
  292   1HG   GLU  34          2HG       GLU  34   8.997  14.709  14.709
  293   2HG   GLU  34          1HG       GLU  34   9.692  15.086  15.086
  294    H    LEU  35           H        LEU  35   6.723  11.301  11.301
  295    HA   LEU  35           HA       LEU  35   6.598  10.173  10.173
  296   1HB   LEU  35          2HB       LEU  35   5.055  10.221  10.221
  297   2HB   LEU  35          1HB       LEU  35   5.758   8.624   8.624
  298    HG   LEU  35           HG       LEU  35   4.968   9.032   9.032
  299   1HD1  LEU  35          3HD1      LEU  35   3.199  10.147  10.147
  300   2HD1  LEU  35          2HD1      LEU  35   2.515   8.576   8.576
  301   3HD1  LEU  35          1HD1      LEU  35   2.842   9.762   9.762
  302   1HD2  LEU  35          1HD2      LEU  35   5.532   6.946   6.946
  303   2HD2  LEU  35          3HD2      LEU  35   4.392   6.813   6.813
  304   3HD2  LEU  35          2HD2      LEU  35   3.800   7.009   7.009
  305    H    ILE  36           H        ILE  36   8.425   8.986   8.986
  306    HA   ILE  36           HA       ILE  36   9.254   6.569   6.569
  307    HB   ILE  36           HB       ILE  36  10.772   7.368   7.368
  308   1HG1  ILE  36          2HG1      ILE  36   8.671   8.336   8.336
  309   2HG1  ILE  36          1HG1      ILE  36   8.837   6.768   6.768
  310   1HG2  ILE  36          3HG2      ILE  36  10.483   5.110   5.110
  311   2HG2  ILE  36          2HG2      ILE  36   9.070   4.936   4.936
  312   3HG2  ILE  36          1HG2      ILE  36  10.677   5.114   5.114
  313   1HD1  ILE  36          3HD1      ILE  36   7.565   6.477   6.477
  314   2HD1  ILE  36          2HD1      ILE  36   6.684   7.629   7.629
  315   3HD1  ILE  36          1HD1      ILE  36   6.978   5.992   5.992
  316    H    ASN  37           H        ASN  37  10.619   9.642   9.642
  317    HA   ASN  37           HA       ASN  37  13.286   9.263   9.263
  318   1HB   ASN  37          2HB       ASN  37  11.764  11.841  11.841
  319   2HB   ASN  37          1HB       ASN  37  13.490  11.572  11.572
  320   1HD2  ASN  37          2HD2      ASN  37  12.774   9.700   9.700
  321   2HD2  ASN  37          1HD2      ASN  37  13.529   9.330   9.330
  322    H    ASN  38           H        ASN  38  10.275  10.278  10.278
  323    HA   ASN  38           HA       ASN  38  11.544  11.329  11.329
  324   1HB   ASN  38          2HB       ASN  38   9.168  11.687  11.687
  325   2HB   ASN  38          1HB       ASN  38   8.700  10.423  10.423
  326   1HD2  ASN  38          2HD2      ASN  38   9.171  14.173  14.173
  327   2HD2  ASN  38          1HD2      ASN  38   9.129  13.782  13.782
  328    H    GLU  39           H        GLU  39  10.763   8.243   8.243
  329    HA   GLU  39           HA       GLU  39  10.831   6.969   6.969
  330   1HB   GLU  39          2HB       GLU  39   9.635   5.143   5.143
  331   2HB   GLU  39          1HB       GLU  39   8.802   6.674   6.674
  332   1HG   GLU  39          2HG       GLU  39   9.762   6.944   6.944
  333   2HG   GLU  39          1HG       GLU  39  10.743   5.496   5.496
  334    H    LEU  40           H        LEU  40  12.084   6.834   6.834
  335    HA   LEU  40           HA       LEU  40  14.380   5.178   5.178
  336   1HB   LEU  40          2HB       LEU  40  12.568   5.011   5.011
  337   2HB   LEU  40          1HB       LEU  40  14.235   4.460   4.460
  338    HG   LEU  40           HG       LEU  40  13.724   3.177   3.177
  339   1HD1  LEU  40          3HD1      LEU  40  10.988   3.680   3.680
  340   2HD1  LEU  40          2HD1      LEU  40  11.318   2.392   2.392
  341   3HD1  LEU  40          1HD1      LEU  40  11.526   4.079   4.079
  342   1HD2  LEU  40          2HD2      LEU  40  13.219   2.558   2.558
  343   2HD2  LEU  40          1HD2      LEU  40  14.205   1.692   1.692
  344   3HD2  LEU  40          3HD2      LEU  40  12.458   1.454   1.454
  345    H    SER  41           H        SER  41  15.186   7.578   7.578
  346    HA   SER  41           HA       SER  41  15.701   9.442   9.442
  347   1HB   SER  41          2HB       SER  41  17.725   8.315   8.315
  348   2HB   SER  41          1HB       SER  41  17.731   9.938   9.938
  349    HG   SER  41           HG       SER  41  16.110   8.810   8.810
  350    H    HIS  42           H        HIS  42  17.072   6.202   6.202
  351    HA   HIS  42           HA       HIS  42  19.328   6.365   6.365
  352   1HB   HIS  42          2HB       HIS  42  17.084   4.342   4.342
  353   2HB   HIS  42          1HB       HIS  42  18.523   4.035   4.035
  354    HD1  HIS  42           HD1      HIS  42  20.067   2.595   2.595
  355    HD2  HIS  42           HD2      HIS  42  18.233   5.471   5.471
  356    HE1  HIS  42           HE1      HIS  42  21.045   2.323   2.323
  357    H    PHE  43           H        PHE  43  15.922   6.634   6.634
  358    HA   PHE  43           HA       PHE  43  16.380   6.490   6.490
  359   1HB   PHE  43          2HB       PHE  43  14.111   7.164   7.164
  360   2HB   PHE  43          1HB       PHE  43  13.949   7.475   7.475
  361    HD1  PHE  43           HD2      PHE  43  15.322   5.311   5.311
  362    HD2  PHE  43           HD1      PHE  43  12.941   5.246   5.246
  363    HE1  PHE  43           HE2      PHE  43  14.828   2.903   2.903
  364    HE2  PHE  43           HE1      PHE  43  12.466   2.838   2.838
  365    HZ   PHE  43           HZ       PHE  43  13.409   1.667   1.667
  366    H    LEU  44           H        LEU  44  16.651   8.939   8.939
  367    HA   LEU  44           HA       LEU  44  16.095  11.315  11.315
  368   1HB   LEU  44          2HB       LEU  44  17.039  10.689  10.689
  369   2HB   LEU  44          1HB       LEU  44  18.575  11.093  11.093
  370    HG   LEU  44           HG       LEU  44  17.527  13.265  13.265
  371   1HD1  LEU  44          2HD1      LEU  44  15.173  12.124  12.124
  372   2HD1  LEU  44          1HD1      LEU  44  15.430  12.848  12.848
  373   3HD1  LEU  44          3HD1      LEU  44  15.392  13.869  13.869
  374   1HD2  LEU  44          2HD2      LEU  44  18.795  12.675  12.675
  375   2HD2  LEU  44          1HD2      LEU  44  18.196  14.295  14.295
  376   3HD2  LEU  44          3HD2      LEU  44  17.251  13.209  13.209
  377    H    GLU  45           H        GLU  45  18.938   9.249   9.249
  378    HA   GLU  45           HA       GLU  45  20.295  10.733  10.733
  379   1HB   GLU  45          2HB       GLU  45  20.964   9.208   9.208
  380   2HB   GLU  45          1HB       GLU  45  21.470   8.232   8.232
  381   1HG   GLU  45          2HG       GLU  45  23.334   9.527   9.527
  382   2HG   GLU  45          1HG       GLU  45  22.298  10.761  10.761
  383    H    GLU  46           H        GLU  46  18.344   7.900   7.900
  384    HA   GLU  46           HA       GLU  46  17.420   6.326   6.326
  385   1HB   GLU  46          2HB       GLU  46  16.683   7.731   7.731
  386   2HB   GLU  46          1HB       GLU  46  18.110   8.749   8.749
  387   1HG   GLU  46          2HG       GLU  46  19.243   7.617   7.617
  388   2HG   GLU  46          1HG       GLU  46  18.383   6.109   6.109
  389    H    ILE  47           H        ILE  47  20.550   7.431   7.431
  390    HA   ILE  47           HA       ILE  47  21.500   5.187   5.187
  391    HB   ILE  47           HB       ILE  47  22.561   7.455   7.455
  392   1HG1  ILE  47          2HG1      ILE  47  24.862   6.574   6.574
  393   2HG1  ILE  47          1HG1      ILE  47  24.276   5.004   5.004
  394   1HG2  ILE  47          1HG2      ILE  47  23.302   6.042   6.042
  395   2HG2  ILE  47          3HG2      ILE  47  24.034   7.551   7.551
  396   3HG2  ILE  47          2HG2      ILE  47  22.315   7.494   7.494
  397   1HD1  ILE  47          1HD1      ILE  47  22.856   6.078   6.078
  398   2HD1  ILE  47          3HD1      ILE  47  24.556   5.700   5.700
  399   3HD1  ILE  47          2HD1      ILE  47  23.460   4.448   4.448
  400    H    LYS  48           H        LYS  48  21.177   5.661   5.661
  401    HA   LYS  48           HA       LYS  48  22.777   3.684   3.684
  402   1HB   LYS  48          2HB       LYS  48  19.875   4.283   4.283
  403   2HB   LYS  48          1HB       LYS  48  21.080   3.622   3.622
  404   1HG   LYS  48          2HG       LYS  48  20.981   6.392   6.392
  405   2HG   LYS  48          1HG       LYS  48  20.989   5.945   5.945
  406   1HD   LYS  48          2HD       LYS  48  23.289   4.985   4.985
  407   2HD   LYS  48          1HD       LYS  48  23.275   5.644   5.644
  408   1HE   LYS  48          2HE       LYS  48  24.030   7.599   7.599
  409   2HE   LYS  48          1HE       LYS  48  22.472   7.766   7.766
  410   1HZ   LYS  48          2HZ       LYS  48  23.498   6.039   6.039
  411   2HZ   LYS  48          1HZ       LYS  48  24.983   6.584   6.584
  412   3HZ   LYS  48          3HZ       LYS  48  23.938   7.673   7.673
  413    H    GLU  49           H        GLU  49  20.039   3.265   3.265
  414    HA   GLU  49           HA       GLU  49  20.464   0.344   0.344
  415   1HB   GLU  49          2HB       GLU  49  17.913   0.123   0.123
  416   2HB   GLU  49          1HB       GLU  49  18.939   0.473   0.473
  417   1HG   GLU  49          2HG       GLU  49  18.454   2.953   2.953
  418   2HG   GLU  49          1HG       GLU  49  17.187   2.395   2.395
  419    H    GLN  50           H        GLN  50  20.901   0.450   0.450
  420    HA   GLN  50           HA       GLN  50  19.417   2.036   2.036
  421   1HB   GLN  50          2HB       GLN  50  21.204  -0.399  -0.399
  422   2HB   GLN  50          1HB       GLN  50  20.677   0.592   0.592
  423   1HG   GLN  50          2HG       GLN  50  21.642   2.585   2.585
  424   2HG   GLN  50          1HG       GLN  50  22.495   1.346   1.346
  425   1HE2  GLN  50          2HE2      GLN  50  23.373   1.456   1.456
  426   2HE2  GLN  50          1HE2      GLN  50  21.759   1.625   1.625
  427    H    GLU  51           H        GLU  51  19.521  -1.553  -1.553
  428    HA   GLU  51           HA       GLU  51  17.519  -2.305  -2.305
  429   1HB   GLU  51          2HB       GLU  51  18.773  -3.853  -3.853
  430   2HB   GLU  51          1HB       GLU  51  17.954  -3.252  -3.252
  431   1HG   GLU  51          2HG       GLU  51  15.783  -3.864  -3.864
  432   2HG   GLU  51          1HG       GLU  51  16.909  -5.004  -5.004
  433    H    VAL  52           H        VAL  52  16.881  -1.151  -1.151
  434    HA   VAL  52           HA       VAL  52  13.998  -1.282  -1.282
  435    HB   VAL  52           HB       VAL  52  15.406  -1.426  -1.426
  436   1HG1  VAL  52          3HG1      VAL  52  16.752   0.601   0.601
  437   2HG1  VAL  52          2HG1      VAL  52  15.297   1.585   1.585
  438   3HG1  VAL  52          1HG1      VAL  52  15.918   0.711   0.711
  439   1HG2  VAL  52          1HG2      VAL  52  12.961   0.315   0.315
  440   2HG2  VAL  52          3HG2      VAL  52  13.056  -1.341  -1.341
  441   3HG2  VAL  52          2HG2      VAL  52  13.645  -0.007  -0.007
  442    H    VAL  53           H        VAL  53  16.444   1.318   1.318
  443    HA   VAL  53           HA       VAL  53  14.811   3.567   3.567
  444    HB   VAL  53           HB       VAL  53  17.505   2.685   2.685
  445   1HG1  VAL  53          2HG1      VAL  53  16.108   5.311   5.311
  446   2HG1  VAL  53          1HG1      VAL  53  17.828   5.012   5.012
  447   3HG1  VAL  53          3HG1      VAL  53  16.627   4.102   4.102
  448   1HG2  VAL  53          1HG2      VAL  53  16.903   3.492   3.492
  449   2HG2  VAL  53          3HG2      VAL  53  18.338   4.158   4.158
  450   3HG2  VAL  53          2HG2      VAL  53  16.845   5.097   5.097
  451    H    ASP  54           H        ASP  54  15.659   0.946   0.946
  452    HA   ASP  54           HA       ASP  54  14.503   2.088   2.088
  453   1HB   ASP  54          2HB       ASP  54  16.053   0.373   0.373
  454   2HB   ASP  54          1HB       ASP  54  15.475  -0.576  -0.576
  455    H    LYS  55           H        LYS  55  13.417  -0.156  -0.156
  456    HA   LYS  55           HA       LYS  55  10.735  -0.492  -0.492
  457   1HB   LYS  55          2HB       LYS  55  12.261  -1.109  -1.109
  458   2HB   LYS  55          1HB       LYS  55  10.500  -1.239  -1.239
  459   1HG   LYS  55          2HG       LYS  55  10.889  -3.333  -3.333
  460   2HG   LYS  55          1HG       LYS  55  11.045  -2.498  -2.498
  461   1HD   LYS  55          2HD       LYS  55  13.461  -2.338  -2.338
  462   2HD   LYS  55          1HD       LYS  55  13.343  -3.088  -3.088
  463   1HE   LYS  55          2HE       LYS  55  12.603  -5.179  -5.179
  464   2HE   LYS  55          1HE       LYS  55  12.411  -4.442  -4.442
  465   1HZ   LYS  55          2HZ       LYS  55  14.914  -3.741  -3.741
  466   2HZ   LYS  55          1HZ       LYS  55  14.837  -5.238  -5.238
  467   3HZ   LYS  55          3HZ       LYS  55  14.520  -5.149  -5.149
  468    H    VAL  56           H        VAL  56  11.847   1.111   1.111
  469    HA   VAL  56           HA       VAL  56   9.719   2.493   2.493
  470    HB   VAL  56           HB       VAL  56  12.560   3.367   3.367
  471   1HG1  VAL  56          2HG1      VAL  56  11.137   5.396   5.396
  472   2HG1  VAL  56          1HG1      VAL  56  10.486   4.836   4.836
  473   3HG1  VAL  56          3HG1      VAL  56  12.193   5.256   5.256
  474   1HG2  VAL  56          2HG2      VAL  56  11.488   1.572   1.572
  475   2HG2  VAL  56          1HG2      VAL  56  12.995   2.448   2.448
  476   3HG2  VAL  56          3HG2      VAL  56  11.488   3.048   3.048
  477    H    MET  57           H        MET  57  11.689   3.667   3.667
  478    HA   MET  57           HA       MET  57   9.893   5.898   5.898
  479   1HB   MET  57          2HB       MET  57  12.087   4.593   4.593
  480   2HB   MET  57          1HB       MET  57  11.415   6.201   6.201
  481   1HG   MET  57          2HG       MET  57  12.179   6.893   6.893
  482   2HG   MET  57          1HG       MET  57  12.868   5.290   5.290
  483   1HE   MET  57          1HE       MET  57  13.347   8.706   8.706
  484   2HE   MET  57          3HE       MET  57  14.549   8.837   8.837
  485   3HE   MET  57          2HE       MET  57  12.897   8.354   8.354
  486    H    GLU  58           H        GLU  58  10.224   2.579   2.579
  487    HA   GLU  58           HA       GLU  58   8.789   2.739   2.739
  488   1HB   GLU  58          2HB       GLU  58   8.859   0.431   0.431
  489   2HB   GLU  58          1HB       GLU  58  10.041   0.813   0.813
  490   1HG   GLU  58          2HG       GLU  58   8.654  -0.730  -0.730
  491   2HG   GLU  58          1HG       GLU  58   7.966   0.806   0.806
  492    H    THR  59           H        THR  59   7.565   2.569   2.569
  493    HA   THR  59           HA       THR  59   4.768   2.487   2.487
  494    HB   THR  59           HB       THR  59   6.077   2.540   2.540
  495    HG1  THR  59           HG1      THR  59   4.912   0.521   0.521
  496   1HG2  THR  59          2HG2      THR  59   3.213   2.538   2.538
  497   2HG2  THR  59          1HG2      THR  59   3.662   1.647   1.647
  498   3HG2  THR  59          3HG2      THR  59   3.965   3.380   3.380
  499    H    LEU  60           H        LEU  60   6.934   4.656   4.656
  500    HA   LEU  60           HA       LEU  60   5.001   6.773   6.773
  501   1HB   LEU  60          2HB       LEU  60   7.014   6.366   6.366
  502   2HB   LEU  60          1HB       LEU  60   8.035   6.736   6.736
  503    HG   LEU  60           HG       LEU  60   7.019   9.008   9.008
  504   1HD1  LEU  60          3HD1      LEU  60   5.422   7.820   7.820
  505   2HD1  LEU  60          2HD1      LEU  60   5.883   9.515   9.515
  506   3HD1  LEU  60          1HD1      LEU  60   4.940   8.989   8.989
  507   1HD2  LEU  60          2HD2      LEU  60   8.889   7.974   7.974
  508   2HD2  LEU  60          1HD2      LEU  60   8.725   9.653   9.653
  509   3HD2  LEU  60          3HD2      LEU  60   7.874   9.087   9.087
  510    H    ASP  61           H        ASP  61   6.942   5.785   5.785
  511    HA   ASP  61           HA       ASP  61   7.277   8.327   8.327
  512   1HB   ASP  61          2HB       ASP  61   8.667   6.424   6.424
  513   2HB   ASP  61          1HB       ASP  61   7.257   5.437   5.437
  514    H    SER  62           H        SER  62   4.512   6.438   6.438
  515    HA   SER  62           HA       SER  62   2.977   6.534   6.534
  516   1HB   SER  62          2HB       SER  62   1.083   6.988   6.988
  517   2HB   SER  62          1HB       SER  62   2.053   5.531   5.531
  518    HG   SER  62           HG       SER  62   2.359   8.028   8.028
  519    H    ASP  63           H        ASP  63   4.071   9.101   9.101
  520    HA   ASP  63           HA       ASP  63   3.567  11.429  11.429
  521   1HB   ASP  63          2HB       ASP  63   5.335  10.913  10.913
  522   2HB   ASP  63          1HB       ASP  63   4.083  10.813  10.813
  523    H    GLY  64           H        GLY  64   1.144  11.017  11.017
  524   1HA   GLY  64          2HA       GLY  64  -0.656  12.625  12.625
  525   2HA   GLY  64          1HA       GLY  64  -0.507  11.569  11.569
  526    H    ASP  65           H        ASP  65  -1.312   9.415   9.415
  527    HA   ASP  65           HA       ASP  65  -3.520   9.080   9.080
  528   1HB   ASP  65          2HB       ASP  65  -2.336   7.573   7.573
  529   2HB   ASP  65          1HB       ASP  65  -3.592   6.839   6.839
  530    H    GLY  66           H        GLY  66  -1.116   9.203   9.203
  531   1HA   GLY  66          2HA       GLY  66  -1.206   6.662   6.662
  532   2HA   GLY  66          1HA       GLY  66   0.322   6.899   6.899
  533    H    GLU  67           H        GLU  67  -1.887   8.915   8.915
  534    HA   GLU  67           HA       GLU  67   0.396  10.401  10.401
  535   1HB   GLU  67          2HB       GLU  67  -1.658  11.518  11.518
  536   2HB   GLU  67          1HB       GLU  67  -1.371  11.833  11.833
  537   1HG   GLU  67          2HG       GLU  67  -3.078  10.288  10.288
  538   2HG   GLU  67          1HG       GLU  67  -3.207   9.632   9.632
  539    H    CYS  68           H        CYS  68  -0.011  10.880  10.880
  540    HA   CYS  68           HA       CYS  68   0.189   8.214   8.214
  541   1HB   CYS  68          2HB       CYS  68   1.930   9.869   9.869
  542   2HB   CYS  68          1HB       CYS  68   0.752  11.046  11.046
  543    HG   CYS  68           HG       CYS  68   0.283   9.143   9.143
  544    H    ASP  69           H        ASP  69  -2.420   8.314   8.314
  545    HA   ASP  69           HA       ASP  69  -3.819   9.745   9.745
  546   1HB   ASP  69          2HB       ASP  69  -4.731   7.861   7.861
  547   2HB   ASP  69          1HB       ASP  69  -5.817   8.593   8.593
  548    H    PHE  70           H        PHE  70  -5.308   8.428   8.428
  549    HA   PHE  70           HA       PHE  70  -4.262   6.921   6.921
  550   1HB   PHE  70          2HB       PHE  70  -6.846   6.521   6.521
  551   2HB   PHE  70          1HB       PHE  70  -6.503   5.850   5.850
  552    HD1  PHE  70           HD1      PHE  70  -5.030   7.715   7.715
  553    HD2  PHE  70           HD2      PHE  70  -8.077   8.548   8.548
  554    HE1  PHE  70           HE1      PHE  70  -5.393   9.931   9.931
  555    HE2  PHE  70           HE2      PHE  70  -8.429  10.781  10.781
  556    HZ   PHE  70           HZ       PHE  70  -7.077  11.465  11.465
  557    H    GLN  71           H        GLN  71  -5.913   4.879   4.879
  558    HA   GLN  71           HA       GLN  71  -4.422   2.558   2.558
  559   1HB   GLN  71          2HB       GLN  71  -5.408   1.622   1.622
  560   2HB   GLN  71          1HB       GLN  71  -6.565   2.795   2.795
  561   1HG   GLN  71          2HG       GLN  71  -6.496   3.361   3.361
  562   2HG   GLN  71          1HG       GLN  71  -5.317   4.477   4.477
  563   1HE2  GLN  71          2HE2      GLN  71  -3.441   3.078   3.078
  564   2HE2  GLN  71          1HE2      GLN  71  -4.610   4.268   4.268
  565    H    GLU  72           H        GLU  72  -3.411   5.298   5.298
  566    HA   GLU  72           HA       GLU  72  -1.355   3.875   3.875
  567   1HB   GLU  72          2HB       GLU  72  -1.384   6.826   6.826
  568   2HB   GLU  72          1HB       GLU  72  -0.947   5.984   5.984
  569   1HG   GLU  72          2HG       GLU  72  -3.528   5.186   5.186
  570   2HG   GLU  72          1HG       GLU  72  -3.596   6.785   6.785
  571    H    PHE  73           H        PHE  73  -1.248   6.211   6.211
  572    HA   PHE  73           HA       PHE  73   1.508   6.167   6.167
  573   1HB   PHE  73          2HB       PHE  73   0.316   7.654   7.654
  574   2HB   PHE  73          1HB       PHE  73  -0.942   6.478   6.478
  575    HD1  PHE  73           HD1      PHE  73   2.610   5.579   5.579
  576    HD2  PHE  73           HD2      PHE  73  -0.861   6.965   6.965
  577    HE1  PHE  73           HE1      PHE  73   3.670   5.000   5.000
  578    HE2  PHE  73           HE2      PHE  73   0.188   6.399   6.399
  579    HZ   PHE  73           HZ       PHE  73   2.460   5.410   5.410
  580    H    MET  74           H        MET  74  -0.864   3.952   3.952
  581    HA   MET  74           HA       MET  74   1.187   2.256   2.256
  582   1HB   MET  74          2HB       MET  74  -1.710   1.750   1.750
  583   2HB   MET  74          1HB       MET  74  -0.738   0.707   0.707
  584   1HG   MET  74          2HG       MET  74  -0.812   3.598   3.598
  585   2HG   MET  74          1HG       MET  74  -2.287   2.676   2.676
  586   1HE   MET  74          2HE       MET  74  -2.649   0.885   0.885
  587   2HE   MET  74          1HE       MET  74  -1.503  -0.174  -0.174
  588   3HE   MET  74          3HE       MET  74  -1.444   0.007   0.007
  589    H    ALA  75           H        ALA  75  -0.407   2.395   2.395
  590    HA   ALA  75           HA       ALA  75   0.292  -0.234  -0.234
  591   1HB   ALA  75          1HB       ALA  75  -0.566   2.398   2.398
  592   2HB   ALA  75          3HB       ALA  75   0.094   1.230   1.230
  593   3HB   ALA  75          2HB       ALA  75  -1.325   0.816   0.816
  594    H    PHE  76           H        PHE  76   1.654   2.788   2.788
  595    HA   PHE  76           HA       PHE  76   3.990   1.636   1.636
  596   1HB   PHE  76          2HB       PHE  76   3.035   3.843   3.843
  597   2HB   PHE  76          1HB       PHE  76   3.474   4.436   4.436
  598    HD1  PHE  76           HD2      PHE  76   5.037   2.693   2.693
  599    HD2  PHE  76           HD1      PHE  76   5.515   5.536   5.536
  600    HE1  PHE  76           HE2      PHE  76   7.310   3.243   3.243
  601    HE2  PHE  76           HE1      PHE  76   7.787   6.087   6.087
  602    HZ   PHE  76           HZ       PHE  76   8.683   4.941   4.941
  603    H    VAL  77           H        VAL  77   3.616   3.423   3.423
  604    HA   VAL  77           HA       VAL  77   6.236   3.254   3.254
  605    HB   VAL  77           HB       VAL  77   4.052   4.157   4.157
  606   1HG1  VAL  77          2HG1      VAL  77   2.901   1.943   1.943
  607   2HG1  VAL  77          1HG1      VAL  77   4.074   1.366   1.366
  608   3HG1  VAL  77          3HG1      VAL  77   2.967   2.672   2.672
  609   1HG2  VAL  77          3HG2      VAL  77   6.554   3.292   3.292
  610   2HG2  VAL  77          2HG2      VAL  77   5.546   4.649   4.649
  611   3HG2  VAL  77          1HG2      VAL  77   5.286   3.052   3.052
  612    H    ALA  78           H        ALA  78   3.750   0.743   0.743
  613    HA   ALA  78           HA       ALA  78   5.337  -1.320  -1.320
  614   1HB   ALA  78          2HB       ALA  78   2.810  -1.191  -1.191
  615   2HB   ALA  78          1HB       ALA  78   3.101  -1.631  -1.631
  616   3HB   ALA  78          3HB       ALA  78   3.539  -2.749  -2.749
  617    H    MET  79           H        MET  79   4.650  -0.420  -0.420
  618    HA   MET  79           HA       MET  79   6.103  -2.468  -2.468
  619   1HB   MET  79          2HB       MET  79   4.675  -0.874  -0.874
  620   2HB   MET  79          1HB       MET  79   5.688   0.472   0.472
  621   1HG   MET  79          2HG       MET  79   6.398   0.056   0.056
  622   2HG   MET  79          1HG       MET  79   7.609  -0.751  -0.751
  623   1HE   MET  79          3HE       MET  79   8.447  -2.583  -2.583
  624   2HE   MET  79          2HE       MET  79   7.862  -4.033  -4.033
  625   3HE   MET  79          1HE       MET  79   8.320  -2.623  -2.623
  626    H    ILE  80           H        ILE  80   7.174   0.644   0.644
  627    HA   ILE  80           HA       ILE  80   9.959   0.376   0.376
  628    HB   ILE  80           HB       ILE  80   8.773   1.820   1.820
  629   1HG1  ILE  80          2HG1      ILE  80   7.424   2.387   2.387
  630   2HG1  ILE  80          1HG1      ILE  80   8.464   3.746   3.746
  631   1HG2  ILE  80          1HG2      ILE  80  11.366   1.596   1.596
  632   2HG2  ILE  80          3HG2      ILE  80  10.891   3.012   3.012
  633   3HG2  ILE  80          2HG2      ILE  80  10.717   3.020   3.020
  634   1HD1  ILE  80          3HD1      ILE  80   9.848   1.954   1.954
  635   2HD1  ILE  80          2HD1      ILE  80   8.294   2.407   2.407
  636   3HD1  ILE  80          1HD1      ILE  80   9.449   3.654   3.654
  637    H    THR  81           H        THR  81   8.292   0.048   0.048
  638    HA   THR  81           HA       THR  81  10.233  -0.973  -0.973
  639    HB   THR  81           HB       THR  81   7.346  -1.786  -1.786
  640    HG1  THR  81           HG1      THR  81   7.122   0.078   0.078
  641   1HG2  THR  81          3HG2      THR  81   9.261  -2.480  -2.480
  642   2HG2  THR  81          2HG2      THR  81   7.507  -2.616  -2.616
  643   3HG2  THR  81          1HG2      THR  81   8.377  -3.600  -3.600
  644    H    THR  82           H        THR  82   8.804  -2.618  -2.618
  645    HA   THR  82           HA       THR  82   9.682  -5.277  -5.277
  646    HB   THR  82           HB       THR  82   8.956  -5.868  -5.868
  647    HG1  THR  82           HG1      THR  82  10.133  -4.390  -4.390
  648   1HG2  THR  82          3HG2      THR  82   7.367  -4.376  -4.376
  649   2HG2  THR  82          2HG2      THR  82   7.154  -3.560  -3.560
  650   3HG2  THR  82          1HG2      THR  82   6.781  -5.277  -5.277
  651    H    ALA  83           H        ALA  83  11.434  -2.554  -2.554
  652    HA   ALA  83           HA       ALA  83  13.486  -3.649  -3.649
  653   1HB   ALA  83          3HB       ALA  83  12.824  -1.203  -1.203
  654   2HB   ALA  83          2HB       ALA  83  13.846  -1.448  -1.448
  655   3HB   ALA  83          1HB       ALA  83  14.538  -1.570  -1.570
  656    H    CYS  84           H        CYS  84  12.711  -4.001  -4.001
  657    HA   CYS  84           HA       CYS  84  15.434  -4.711  -4.711
  658   1HB   CYS  84          2HB       CYS  84  12.893  -3.956  -3.956
  659   2HB   CYS  84          1HB       CYS  84  13.419  -5.470  -5.470
  660    HG   CYS  84           HG       CYS  84  14.583  -3.588  -3.588
  661    H    HIS  85           H        HIS  85  12.734  -6.298  -6.298
  662    HA   HIS  85           HA       HIS  85  12.257  -8.584  -8.584
  663   1HB   HIS  85          2HB       HIS  85  15.246  -8.846  -8.846
  664   2HB   HIS  85          1HB       HIS  85  14.218  -9.798  -9.798
  665    HD1  HIS  85           HD1      HIS  85  16.432  -6.954  -6.954
  666    HD2  HIS  85           HD2      HIS  85  12.968  -8.003  -8.003
  667    HE1  HIS  85           HE1      HIS  85  16.362  -5.493  -5.493
  668    H    GLU  86           H        GLU  86  13.582 -10.879 -10.879
  669    HA   GLU  86           HA       GLU  86  13.801 -12.232 -12.232
  670   1HB   GLU  86          2HB       GLU  86  14.970  -9.973  -9.973
  671   2HB   GLU  86          1HB       GLU  86  13.528  -9.750  -9.750
  672   1HG   GLU  86          2HG       GLU  86  14.948 -12.386 -12.386
  673   2HG   GLU  86          1HG       GLU  86  15.639 -11.015 -11.015
  674    H    PHE  87           H        PHE  87  11.627  -9.499  -9.499
  675    HA   PHE  87           HA       PHE  87   9.598 -11.530 -11.530
  676   1HB   PHE  87          2HB       PHE  87   8.758  -9.587  -9.587
  677   2HB   PHE  87          1HB       PHE  87  10.425 -10.031 -10.031
  678    HD1  PHE  87           HD1      PHE  87   8.382  -7.779  -7.779
  679    HD2  PHE  87           HD2      PHE  87  12.141  -8.439  -8.439
  680    HE1  PHE  87           HE1      PHE  87   9.180  -5.495  -5.495
  681    HE2  PHE  87           HE2      PHE  87  12.906  -6.173  -6.173
  682    HZ   PHE  87           HZ       PHE  87  11.429  -4.704  -4.704
  683    H    PHE  88           H        PHE  88  10.094  -8.628  -8.628
  684    HA   PHE  88           HA       PHE  88   7.255  -8.759  -8.759
  685   1HB   PHE  88          2HB       PHE  88   9.205  -6.691  -6.691
  686   2HB   PHE  88          1HB       PHE  88   8.651  -6.686  -6.686
  687    HD1  PHE  88           HD1      PHE  88   6.368  -6.303  -6.303
  688    HD2  PHE  88           HD2      PHE  88   7.545  -6.206  -6.206
  689    HE1  PHE  88           HE1      PHE  88   4.231  -5.198  -5.198
  690    HE2  PHE  88           HE2      PHE  88   5.414  -5.130  -5.130
  691    HZ   PHE  88           HZ       PHE  88   3.747  -4.617  -4.617
  692    H    GLU  89           H        GLU  89  10.310  -9.881  -9.881
  693    HA   GLU  89           HA       GLU  89  11.084  -9.661  -9.661
  694   1HB   GLU  89          2HB       GLU  89  11.108 -11.674 -11.674
  695   2HB   GLU  89          1HB       GLU  89  10.340 -12.458 -12.458
  696   1HG   GLU  89          2HG       GLU  89  12.190 -12.051 -12.051
  697   2HG   GLU  89          1HG       GLU  89  12.856 -10.829 -10.829
  698    H    HIS  90           H        HIS  90   9.816  -8.980  -8.980
  699    HA   HIS  90           HA       HIS  90   7.152  -9.731  -9.731
  700   1HB   HIS  90          2HB       HIS  90   9.508  -8.569  -8.569
  701   2HB   HIS  90          1HB       HIS  90   8.150  -9.101  -9.101
  702    HD1  HIS  90           HD1      HIS  90   6.943  -6.968  -6.968
  703    HD2  HIS  90           HD2      HIS  90   7.893  -7.226  -7.226
  704    HE1  HIS  90           HE1      HIS  90   5.832  -4.991  -4.991
  705    H    GLU  91           H        GLU  91   6.347 -11.220 -11.220
  706    HA   GLU  91           HA       GLU  91   7.479 -13.841 -13.841
  707   1HB   GLU  91          2HB       GLU  91   5.329 -12.354 -12.354
  708   2HB   GLU  91          1HB       GLU  91   5.839 -13.880 -13.880
  709   1HG   GLU  91          2HG       GLU  91   5.552 -14.127 -14.127
  710   2HG   GLU  91          1HG       GLU  91   4.055 -13.566 -13.566
  711   1H    MET   0          1H        MET   0   6.755  10.399  10.399
  712   2H    MET   0          3H        MET   0   8.162  10.956  10.956
  713   3H    MET   0          2H        MET   0   7.033  12.069  12.069
  714    HA   MET   0           HA       MET   0   7.569  11.574  11.574
  715   1HB   MET   0          2HB       MET   0   9.851  12.298  12.298
  716   2HB   MET   0          1HB       MET   0   9.136  12.927  12.927
  717   1HG   MET   0          2HG       MET   0  10.022  10.946  10.946
  718   2HG   MET   0          1HG       MET   0  10.808  10.410  10.410
  719   1HE   MET   0          3HE       MET   0  12.699  10.417  10.417
  720   2HE   MET   0          2HE       MET   0  13.257  10.476  10.476
  721   3HE   MET   0          1HE       MET   0  14.010  11.513  11.513
  722    H    SER   1           H        SER   1   9.205   9.321   9.321
  723    HA   SER   1           HA       SER   1   9.993   7.524   7.524
  724   1HB   SER   1          2HB       SER   1  10.060   7.172   7.172
  725   2HB   SER   1          1HB       SER   1  11.003   6.270   6.270
  726    HG   SER   1           HG       SER   1  11.706   8.544   8.544
  727    H    GLU   2           H        GLU   2   7.238   7.962   7.962
  728    HA   GLU   2           HA       GLU   2   6.124   5.529   5.529
  729   1HB   GLU   2          2HB       GLU   2   5.052   8.054   8.054
  730   2HB   GLU   2          1HB       GLU   2   3.961   6.690   6.690
  731   1HG   GLU   2          2HG       GLU   2   5.028   6.659   6.659
  732   2HG   GLU   2          1HG       GLU   2   5.416   8.339   8.339
  733    H    LEU   3           H        LEU   3   6.733   6.800   6.800
  734    HA   LEU   3           HA       LEU   3   5.173   4.809   4.809
  735   1HB   LEU   3          2HB       LEU   3   7.409   6.705   6.705
  736   2HB   LEU   3          1HB       LEU   3   6.425   5.811   5.811
  737    HG   LEU   3           HG       LEU   3   4.554   6.997   6.997
  738   1HD1  LEU   3          2HD1      LEU   3   6.791   8.352   8.352
  739   2HD1  LEU   3          1HD1      LEU   3   6.319   9.257   9.257
  740   3HD1  LEU   3          3HD1      LEU   3   5.210   9.130   9.130
  741   1HD2  LEU   3          3HD2      LEU   3   5.640   7.525   7.525
  742   2HD2  LEU   3          2HD2      LEU   3   4.037   6.969   6.969
  743   3HD2  LEU   3          1HD2      LEU   3   4.479   8.664   8.664
  744    H    GLU   4           H        GLU   4   8.743   5.329   5.329
  745    HA   GLU   4           HA       GLU   4   9.455   2.812   2.812
  746   1HB   GLU   4          2HB       GLU   4  11.643   3.243   3.243
  747   2HB   GLU   4          1HB       GLU   4  11.007   4.709   4.709
  748   1HG   GLU   4          2HG       GLU   4  10.115   5.405   5.405
  749   2HG   GLU   4          1HG       GLU   4  10.803   3.950   3.950
  750    H    LYS   5           H        LYS   5   8.787   3.775   3.775
  751    HA   LYS   5           HA       LYS   5   9.475   1.251   1.251
  752   1HB   LYS   5          2HB       LYS   5   7.568   3.442   3.442
  753   2HB   LYS   5          1HB       LYS   5   8.419   2.297   2.297
  754   1HG   LYS   5          2HG       LYS   5  10.588   3.238   3.238
  755   2HG   LYS   5          1HG       LYS   5   9.743   4.406   4.406
  756   1HD   LYS   5          2HD       LYS   5  10.362   5.443   5.443
  757   2HD   LYS   5          1HD       LYS   5   8.606   5.304   5.304
  758   1HE   LYS   5          2HE       LYS   5   8.493   3.682   3.682
  759   2HE   LYS   5          1HE       LYS   5  10.101   3.035   3.035
  760   1HZ   LYS   5          2HZ       LYS   5   9.854   5.803   5.803
  761   2HZ   LYS   5          1HZ       LYS   5   9.777   4.541   4.541
  762   3HZ   LYS   5          3HZ       LYS   5  11.155   4.723   4.723
  763    H    ALA   6           H        ALA   6   6.469   2.697   2.697
  764    HA   ALA   6           HA       ALA   6   4.713   0.543   0.543
  765   1HB   ALA   6          1HB       ALA   6   4.717   2.732   2.732
  766   2HB   ALA   6          3HB       ALA   6   3.381   1.586   1.586
  767   3HB   ALA   6          2HB       ALA   6   3.760   2.639   2.639
  768    H    VAL   7           H        VAL   7   6.814   1.179   1.179
  769    HA   VAL   7           HA       VAL   7   5.978  -0.998  -0.998
  770    HB   VAL   7           HB       VAL   7   8.249   0.932   0.932
  771   1HG1  VAL   7          1HG1      VAL   7   8.411  -1.659  -1.659
  772   2HG1  VAL   7          3HG1      VAL   7   9.053  -0.248  -0.248
  773   3HG1  VAL   7          2HG1      VAL   7   9.686  -0.689  -0.689
  774   1HG2  VAL   7          1HG2      VAL   7   6.102   0.358   0.358
  775   2HG2  VAL   7          3HG2      VAL   7   6.603   1.898   1.898
  776   3HG2  VAL   7          2HG2      VAL   7   7.577   1.144   1.144
  777    H    VAL   8           H        VAL   8   8.810  -0.548  -0.548
  778    HA   VAL   8           HA       VAL   8   9.910  -3.119  -3.119
  779    HB   VAL   8           HB       VAL   8   9.636  -0.906  -0.906
  780   1HG1  VAL   8          1HG1      VAL   8  10.909  -3.602  -3.602
  781   2HG1  VAL   8          3HG1      VAL   8  11.221  -2.158  -2.158
  782   3HG1  VAL   8          2HG1      VAL   8   9.598  -2.844  -2.844
  783   1HG2  VAL   8          2HG2      VAL   8  11.498  -1.786  -1.786
  784   2HG2  VAL   8          1HG2      VAL   8  11.513  -0.289  -0.289
  785   3HG2  VAL   8          3HG2      VAL   8  12.312  -1.729  -1.729
  786    H    ALA   9           H        ALA   9   6.917  -2.009  -2.009
  787    HA   ALA   9           HA       ALA   9   6.514  -4.408  -4.408
  788   1HB   ALA   9          1HB       ALA   9   5.791  -1.972  -1.972
  789   2HB   ALA   9          3HB       ALA   9   4.524  -2.250  -2.250
  790   3HB   ALA   9          2HB       ALA   9   4.578  -3.222  -3.222
  791    H    LEU  10           H        LEU  10   4.512  -2.874  -2.874
  792    HA   LEU  10           HA       LEU  10   2.881  -5.051  -5.051
  793   1HB   LEU  10          2HB       LEU  10   4.207  -3.013  -3.013
  794   2HB   LEU  10          1HB       LEU  10   2.817  -4.000  -4.000
  795    HG   LEU  10           HG       LEU  10   2.423  -2.640  -2.640
  796   1HD1  LEU  10          1HD1      LEU  10   3.714  -1.136  -1.136
  797   2HD1  LEU  10          3HD1      LEU  10   2.048  -0.575  -0.575
  798   3HD1  LEU  10          2HD1      LEU  10   3.093  -0.555  -0.555
  799   1HD2  LEU  10          3HD2      LEU  10   0.991  -3.296  -3.296
  800   2HD2  LEU  10          2HD2      LEU  10   0.397  -3.260  -3.260
  801   3HD2  LEU  10          1HD2      LEU  10   0.501  -1.766  -1.766
  802    H    ILE  11           H        ILE  11   6.152  -4.346  -4.346
  803    HA   ILE  11           HA       ILE  11   6.466  -6.462  -6.462
  804    HB   ILE  11           HB       ILE  11   8.841  -6.287  -6.287
  805   1HG1  ILE  11          2HG1      ILE  11   9.273  -4.615  -4.615
  806   2HG1  ILE  11          1HG1      ILE  11   7.666  -5.109  -5.109
  807   1HG2  ILE  11          1HG2      ILE  11   7.148  -3.856  -3.856
  808   2HG2  ILE  11          3HG2      ILE  11   8.863  -3.633  -3.633
  809   3HG2  ILE  11          2HG2      ILE  11   8.357  -4.501  -4.501
  810   1HD1  ILE  11          1HD1      ILE  11   9.012  -7.470  -7.470
  811   2HD1  ILE  11          3HD1      ILE  11  10.157  -6.550  -6.550
  812   3HD1  ILE  11          2HD1      ILE  11   8.576  -6.977  -6.977
  813    H    ASP  12           H        ASP  12   6.490  -6.465  -6.465
  814    HA   ASP  12           HA       ASP  12   7.336  -9.181  -9.181
  815   1HB   ASP  12          2HB       ASP  12   6.719  -6.953  -6.953
  816   2HB   ASP  12          1HB       ASP  12   5.345  -8.009  -8.009
  817    H    VAL  13           H        VAL  13   4.227  -7.579  -7.579
  818    HA   VAL  13           HA       VAL  13   2.474  -9.787  -9.787
  819    HB   VAL  13           HB       VAL  13   2.373  -7.461  -7.461
  820   1HG1  VAL  13          3HG1      VAL  13   0.756  -9.390  -9.390
  821   2HG1  VAL  13          2HG1      VAL  13   0.062  -8.974  -8.974
  822   3HG1  VAL  13          1HG1      VAL  13   0.024  -7.806  -7.806
  823   1HG2  VAL  13          3HG2      VAL  13   2.707  -6.926  -6.926
  824   2HG2  VAL  13          2HG2      VAL  13   1.256  -6.240  -6.240
  825   3HG2  VAL  13          1HG2      VAL  13   1.137  -7.676  -7.676
  826    H    PHE  14           H        PHE  14   4.001  -8.576  -8.576
  827    HA   PHE  14           HA       PHE  14   3.095 -10.661 -10.661
  828   1HB   PHE  14          2HB       PHE  14   5.213  -8.584  -8.584
  829   2HB   PHE  14          1HB       PHE  14   5.674 -10.095 -10.095
  830    HD1  PHE  14           HD1      PHE  14   3.834 -11.291 -11.291
  831    HD2  PHE  14           HD2      PHE  14   3.752  -7.123  -7.123
  832    HE1  PHE  14           HE1      PHE  14   2.234 -10.887 -10.887
  833    HE2  PHE  14           HE2      PHE  14   2.152  -6.712  -6.712
  834    HZ   PHE  14           HZ       PHE  14   1.391  -8.596  -8.596
  835    H    HIS  15           H        HIS  15   6.159 -10.500 -10.500
  836    HA   HIS  15           HA       HIS  15   7.382 -12.895 -12.895
  837   1HB   HIS  15          2HB       HIS  15   8.284 -11.362 -11.362
  838   2HB   HIS  15          1HB       HIS  15   6.886 -11.582 -11.582
  839    HD1  HIS  15           HD1      HIS  15   9.940 -13.419 -13.419
  840    HD2  HIS  15           HD2      HIS  15   7.011 -13.842 -13.842
  841    HE1  HIS  15           HE1      HIS  15  10.675 -15.346 -15.346
  842    H    GLN  16           H        GLN  16   4.565 -12.439 -12.439
  843    HA   GLN  16           HA       GLN  16   4.278 -15.353 -15.353
  844   1HB   GLN  16          2HB       GLN  16   2.732 -12.870 -12.870
  845   2HB   GLN  16          1HB       GLN  16   2.341 -14.506 -14.506
  846   1HG   GLN  16          2HG       GLN  16   4.536 -14.743 -14.743
  847   2HG   GLN  16          1HG       GLN  16   5.029 -13.167 -13.167
  848   1HE2  GLN  16          2HE2      GLN  16   2.642 -13.383 -13.383
  849   2HE2  GLN  16          1HE2      GLN  16   3.010 -14.783 -14.783
  850    H    TYR  17           H        TYR  17   1.977 -12.828 -12.828
  851    HA   TYR  17           HA       TYR  17  -0.082 -14.177 -14.177
  852   1HB   TYR  17          2HB       TYR  17   1.355 -11.628 -11.628
  853   2HB   TYR  17          1HB       TYR  17   0.126 -12.122 -12.122
  854    HD1  TYR  17           HD2      TYR  17   0.764 -11.191 -11.191
  855    HD2  TYR  17           HD1      TYR  17  -2.227 -12.307 -12.307
  856    HE1  TYR  17           HE2      TYR  17  -1.019 -10.445 -10.445
  857    HE2  TYR  17           HE1      TYR  17  -4.009 -11.589 -11.589
  858    HH   TYR  17           HH       TYR  17  -4.335 -11.209 -11.209
  859    H    SER  18           H        SER  18   2.797 -13.244 -13.244
  860    HA   SER  18           HA       SER  18   1.883 -14.711 -14.711
  861   1HB   SER  18          2HB       SER  18   4.054 -12.992 -12.992
  862   2HB   SER  18          1HB       SER  18   4.669 -14.324 -14.324
  863    HG   SER  18           HG       SER  18   4.021 -12.568 -12.568
  864    H    GLY  19           H        GLY  19   3.902 -15.534 -15.534
  865   1HA   GLY  19          2HA       GLY  19   4.239 -18.264 -18.264
  866   2HA   GLY  19          1HA       GLY  19   5.518 -17.488 -17.488
  867    H    ARG  20           H        ARG  20   2.021 -17.558 -17.558
  868    HA   ARG  20           HA       ARG  20   2.708 -18.845 -18.845
  869   1HB   ARG  20          2HB       ARG  20   0.550 -17.769 -17.769
  870   2HB   ARG  20          1HB       ARG  20   1.755 -16.606 -16.606
  871   1HG   ARG  20          2HG       ARG  20   0.663 -16.270 -16.270
  872   2HG   ARG  20          1HG       ARG  20  -0.279 -17.751 -17.751
  873   1HD   ARG  20          2HD       ARG  20  -0.592 -15.315 -15.315
  874   2HD   ARG  20          1HD       ARG  20  -1.677 -15.741 -15.741
  875    HE   ARG  20           HE       ARG  20  -1.640 -18.069 -18.069
  876   1HH1  ARG  20          2HH1      ARG  20  -0.764 -16.564 -16.564
  877   2HH1  ARG  20          1HH1      ARG  20  -2.275 -16.136 -16.136
  878   1HH2  ARG  20          1HH2      ARG  20  -4.136 -16.752 -16.752
  879   2HH2  ARG  20          2HH2      ARG  20  -4.185 -16.242 -16.242
  880    H    GLU  21           H        GLU  21   1.461 -19.584 -19.584
  881    HA   GLU  21           HA       GLU  21  -0.187 -21.812 -21.812
  882   1HB   GLU  21          2HB       GLU  21  -1.709 -20.127 -20.127
  883   2HB   GLU  21          1HB       GLU  21  -0.775 -19.901 -19.901
  884   1HG   GLU  21          2HG       GLU  21  -2.649 -21.259 -21.259
  885   2HG   GLU  21          1HG       GLU  21  -1.261 -22.346 -22.346
  886    H    GLY  22           H        GLY  22   0.376 -20.992 -20.992
  887   1HA   GLY  22          2HA       GLY  22   2.442 -23.087 -23.087
  888   2HA   GLY  22          1HA       GLY  22   0.924 -23.371 -23.371
  889    H    ASP  23           H        ASP  23   1.815 -20.071 -20.071
  890    HA   ASP  23           HA       ASP  23   2.527 -20.001 -20.001
  891   1HB   ASP  23          2HB       ASP  23   1.498 -17.903 -17.903
  892   2HB   ASP  23          1HB       ASP  23   1.788 -17.633 -17.633
  893    H    LYS  24           H        LYS  24   4.260 -18.492 -18.492
  894    HA   LYS  24           HA       LYS  24   6.496 -18.508 -18.508
  895   1HB   LYS  24          2HB       LYS  24   6.037 -18.332 -18.332
  896   2HB   LYS  24          1HB       LYS  24   7.322 -17.264 -17.264
  897   1HG   LYS  24          2HG       LYS  24   8.674 -19.002 -19.002
  898   2HG   LYS  24          1HG       LYS  24   7.312 -20.036 -20.036
  899   1HD   LYS  24          2HD       LYS  24   6.898 -19.887 -19.887
  900   2HD   LYS  24          1HD       LYS  24   8.649 -19.672 -19.672
  901   1HE   LYS  24          2HE       LYS  24   8.394 -22.027 -22.027
  902   2HE   LYS  24          1HE       LYS  24   8.625 -21.740 -21.740
  903   1HZ   LYS  24          1HZ       LYS  24   5.927 -21.577 -21.577
  904   2HZ   LYS  24          3HZ       LYS  24   6.580 -23.097 -23.097
  905   3HZ   LYS  24          2HZ       LYS  24   6.386 -21.933 -21.933
  906    H    HIS  25           H        HIS  25   5.377 -15.967 -15.967
  907    HA   HIS  25           HA       HIS  25   5.308 -14.014 -14.014
  908   1HB   HIS  25          2HB       HIS  25   7.290 -14.276 -14.276
  909   2HB   HIS  25          1HB       HIS  25   6.745 -12.638 -12.638
  910    HD1  HIS  25           HD1      HIS  25   9.594 -14.133 -14.133
  911    HD2  HIS  25           HD2      HIS  25   6.506 -13.067 -13.067
  912    HE1  HIS  25           HE1      HIS  25  10.624 -13.956 -13.956
  913    H    LYS  26           H        LYS  26   3.053 -14.839 -14.839
  914    HA   LYS  26           HA       LYS  26   2.113 -12.445 -12.445
  915   1HB   LYS  26          2HB       LYS  26   3.165 -14.203 -14.203
  916   2HB   LYS  26          1HB       LYS  26   1.734 -15.170 -15.170
  917   1HG   LYS  26          2HG       LYS  26   1.470 -12.301 -12.301
  918   2HG   LYS  26          1HG       LYS  26   1.695 -13.565 -13.565
  919   1HD   LYS  26          2HD       LYS  26  -0.423 -13.904 -13.904
  920   2HD   LYS  26          1HD       LYS  26  -0.741 -12.858 -12.858
  921   1HE   LYS  26          2HE       LYS  26  -0.056 -15.815 -15.815
  922   2HE   LYS  26          1HE       LYS  26  -1.540 -15.032 -15.032
  923   1HZ   LYS  26          3HZ       LYS  26   0.257 -13.629 -13.629
  924   2HZ   LYS  26          2HZ       LYS  26   1.109 -15.094 -15.094
  925   3HZ   LYS  26          1HZ       LYS  26  -0.421 -15.054 -15.054
  926    H    LEU  27           H        LEU  27   0.120 -12.035 -12.035
  927    HA   LEU  27           HA       LEU  27  -1.320 -14.375 -14.375
  928   1HB   LEU  27          2HB       LEU  27  -1.110 -11.442 -11.442
  929   2HB   LEU  27          1HB       LEU  27  -2.593 -12.270 -12.270
  930    HG   LEU  27           HG       LEU  27  -0.639 -14.008 -14.008
  931   1HD1  LEU  27          3HD1      LEU  27   0.736 -11.679 -11.679
  932   2HD1  LEU  27          2HD1      LEU  27   0.321 -11.489 -11.489
  933   3HD1  LEU  27          1HD1      LEU  27   1.235 -12.899 -12.899
  934   1HD2  LEU  27          1HD2      LEU  27  -2.772 -12.589 -12.589
  935   2HD2  LEU  27          3HD2      LEU  27  -1.745 -13.674 -13.674
  936   3HD2  LEU  27          2HD2      LEU  27  -1.419 -11.941 -11.941
  937    H    LYS  28           H        LYS  28  -3.549 -14.698 -14.698
  938    HA   LYS  28           HA       LYS  28  -4.268 -13.405 -13.405
  939   1HB   LYS  28          2HB       LYS  28  -5.258 -15.811 -15.811
  940   2HB   LYS  28          1HB       LYS  28  -5.929 -15.307 -15.307
  941   1HG   LYS  28          2HG       LYS  28  -4.193 -16.192 -16.192
  942   2HG   LYS  28          1HG       LYS  28  -3.014 -15.442 -15.442
  943   1HD   LYS  28          2HD       LYS  28  -2.896 -17.924 -17.924
  944   2HD   LYS  28          1HD       LYS  28  -3.337 -17.234 -17.234
  945   1HE   LYS  28          2HE       LYS  28  -5.039 -18.774 -18.774
  946   2HE   LYS  28          1HE       LYS  28  -5.809 -17.564 -17.564
  947   1HZ   LYS  28          3HZ       LYS  28  -4.292 -18.654 -18.654
  948   2HZ   LYS  28          2HZ       LYS  28  -4.324 -19.990 -19.990
  949   3HZ   LYS  28          1HZ       LYS  28  -5.772 -19.377 -19.377
  950    H    LYS  29           H        LYS  29  -6.411 -12.503 -12.503
  951    HA   LYS  29           HA       LYS  29  -7.492 -10.683 -10.683
  952   1HB   LYS  29          2HB       LYS  29  -9.811 -11.919 -11.919
  953   2HB   LYS  29          1HB       LYS  29  -8.878 -10.725 -10.725
  954   1HG   LYS  29          2HG       LYS  29  -7.707 -12.376 -12.376
  955   2HG   LYS  29          1HG       LYS  29  -8.191 -13.651 -13.651
  956   1HD   LYS  29          2HD       LYS  29 -10.477 -12.277 -12.277
  957   2HD   LYS  29          1HD       LYS  29  -9.444 -13.035 -13.035
  958   1HE   LYS  29          2HE       LYS  29 -10.534 -14.453 -14.453
  959   2HE   LYS  29          1HE       LYS  29 -11.189 -14.617 -14.617
  960   1HZ   LYS  29          3HZ       LYS  29  -8.539 -14.937 -14.937
  961   2HZ   LYS  29          2HZ       LYS  29  -8.754 -15.695 -15.695
  962   3HZ   LYS  29          1HZ       LYS  29  -9.648 -16.210 -16.210
  963    H    SER  30           H        SER  30  -8.190 -14.168 -14.168
  964    HA   SER  30           HA       SER  30  -9.996 -13.962 -13.962
  965   1HB   SER  30          2HB       SER  30  -8.428 -16.001 -16.001
  966   2HB   SER  30          1HB       SER  30  -8.793 -16.420 -16.420
  967    HG   SER  30           HG       SER  30 -10.383 -16.647 -16.647
  968    H    GLU  31           H        GLU  31  -6.536 -14.942 -14.942
  969    HA   GLU  31           HA       GLU  31  -6.085 -14.983 -14.983
  970   1HB   GLU  31          2HB       GLU  31  -4.579 -14.829 -14.829
  971   2HB   GLU  31          1HB       GLU  31  -3.791 -13.892 -13.892
  972   1HG   GLU  31          2HG       GLU  31  -4.808 -16.628 -16.628
  973   2HG   GLU  31          1HG       GLU  31  -3.310 -16.487 -16.487
  974    H    LEU  32           H        LEU  32  -6.233 -12.335 -12.335
  975    HA   LEU  32           HA       LEU  32  -5.300 -10.173 -10.173
  976   1HB   LEU  32          2HB       LEU  32  -6.243 -10.510 -10.510
  977   2HB   LEU  32          1HB       LEU  32  -7.704  -9.863  -9.863
  978    HG   LEU  32           HG       LEU  32  -4.980  -8.553  -8.553
  979   1HD1  LEU  32          2HD1      LEU  32  -7.188  -8.454  -8.454
  980   2HD1  LEU  32          1HD1      LEU  32  -7.412  -7.039  -7.039
  981   3HD1  LEU  32          3HD1      LEU  32  -5.927  -7.226  -7.226
  982   1HD2  LEU  32          3HD2      LEU  32  -6.068  -8.371  -8.371
  983   2HD2  LEU  32          2HD2      LEU  32  -5.757  -6.838  -6.838
  984   3HD2  LEU  32          1HD2      LEU  32  -7.389  -7.509  -7.509
  985    H    LYS  33           H        LYS  33  -8.618 -11.483 -11.483
  986    HA   LYS  33           HA       LYS  33 -10.033  -9.817  -9.817
  987   1HB   LYS  33          2HB       LYS  33 -10.359 -12.279 -12.279
  988   2HB   LYS  33          1HB       LYS  33 -10.680 -12.631 -12.631
  989   1HG   LYS  33          2HG       LYS  33 -11.991 -10.455 -10.455
  990   2HG   LYS  33          1HG       LYS  33 -12.755 -11.943 -11.943
  991   1HD   LYS  33          2HD       LYS  33 -12.564 -11.267 -11.267
  992   2HD   LYS  33          1HD       LYS  33 -11.553  -9.887  -9.887
  993   1HE   LYS  33          2HE       LYS  33 -13.625  -8.833  -8.833
  994   2HE   LYS  33          1HE       LYS  33 -13.675  -9.282  -9.282
  995   1HZ   LYS  33          1HZ       LYS  33 -14.723 -11.379 -11.379
  996   2HZ   LYS  33          3HZ       LYS  33 -14.716 -10.916 -10.916
  997   3HZ   LYS  33          2HZ       LYS  33 -15.662 -10.059 -10.059
  998    H    GLU  34           H        GLU  34  -8.459 -12.915 -12.915
  999    HA   GLU  34           HA       GLU  34  -8.742 -12.823 -12.823
 1000   1HB   GLU  34          2HB       GLU  34  -7.201 -14.173 -14.173
 1001   2HB   GLU  34          1HB       GLU  34  -6.012 -13.468 -13.468
 1002   1HG   GLU  34          2HG       GLU  34  -6.970 -14.570 -14.570
 1003   2HG   GLU  34          1HG       GLU  34  -8.428 -14.999 -14.999
 1004    H    LEU  35           H        LEU  35  -6.242 -11.271 -11.271
 1005    HA   LEU  35           HA       LEU  35  -4.715 -10.043 -10.043
 1006   1HB   LEU  35          2HB       LEU  35  -4.654 -10.193 -10.193
 1007   2HB   LEU  35          1HB       LEU  35  -5.400  -8.596  -8.596
 1008    HG   LEU  35           HG       LEU  35  -3.177  -8.915  -8.915
 1009   1HD1  LEU  35          3HD1      LEU  35  -2.774 -10.117 -10.117
 1010   2HD1  LEU  35          2HD1      LEU  35  -1.995  -8.537  -8.537
 1011   3HD1  LEU  35          1HD1      LEU  35  -1.531  -9.667  -9.667
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.535  -6.878  -6.878
 1013   2HD2  LEU  35          3HD2      LEU  35  -2.843  -6.710  -6.710
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.284  -6.971  -6.971
 1015    H    ILE  36           H        ILE  36  -7.833  -8.943  -8.943
 1016    HA   ILE  36           HA       ILE  36  -7.721  -6.458  -6.458
 1017    HB   ILE  36           HB       ILE  36 -10.323  -7.335  -7.335
 1018   1HG1  ILE  36          2HG1      ILE  36  -8.992  -8.360  -8.360
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.593  -6.823  -6.823
 1020   1HG2  ILE  36          3HG2      ILE  36  -9.373  -5.030  -5.030
 1021   2HG2  ILE  36          2HG2      ILE  36  -8.793  -4.917  -4.917
 1022   3HG2  ILE  36          1HG2      ILE  36 -10.518  -5.102  -5.102
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.090  -6.442  -6.442
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.911  -7.643  -7.643
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.507  -6.029  -6.029
 1026    H    ASN  37           H        ASN  37  -9.411  -9.555  -9.555
 1027    HA   ASN  37           HA       ASN  37 -11.058  -9.106  -9.106
 1028   1HB   ASN  37          2HB       ASN  37  -9.905 -11.710 -11.710
 1029   2HB   ASN  37          1HB       ASN  37 -11.459 -11.432 -11.432
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.671  -9.691  -9.691
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.466  -9.258  -9.258
 1032    H    ASN  38           H        ASN  38  -7.704 -10.099 -10.099
 1033    HA   ASN  38           HA       ASN  38  -7.377 -11.036 -11.036
 1034   1HB   ASN  38          2HB       ASN  38  -6.094 -11.468 -11.468
 1035   2HB   ASN  38          1HB       ASN  38  -5.083 -10.165 -10.165
 1036   1HD2  ASN  38          2HD2      ASN  38  -4.667 -13.853 -13.853
 1037   2HD2  ASN  38          1HD2      ASN  38  -5.573 -13.529 -13.529
 1038    H    GLU  39           H        GLU  39  -7.455  -8.009  -8.009
 1039    HA   GLU  39           HA       GLU  39  -5.988  -6.626  -6.626
 1040   1HB   GLU  39          2HB       GLU  39  -5.692  -4.865  -4.865
 1041   2HB   GLU  39          1HB       GLU  39  -5.107  -6.415  -6.415
 1042   1HG   GLU  39          2HG       GLU  39  -7.142  -6.761  -6.761
 1043   2HG   GLU  39          1HG       GLU  39  -7.852  -5.294  -5.294
 1044    H    LEU  40           H        LEU  40  -8.905  -6.610  -6.610
 1045    HA   LEU  40           HA       LEU  40 -10.262  -4.888  -4.888
 1046   1HB   LEU  40          2HB       LEU  40 -10.111  -4.838  -4.838
 1047   2HB   LEU  40          1HB       LEU  40 -11.591  -4.273  -4.273
 1048    HG   LEU  40           HG       LEU  40  -9.916  -2.912  -2.912
 1049   1HD1  LEU  40          3HD1      LEU  40  -8.326  -3.497  -3.497
 1050   2HD1  LEU  40          2HD1      LEU  40  -7.961  -2.157  -2.157
 1051   3HD1  LEU  40          1HD1      LEU  40  -7.846  -3.820  -3.820
 1052   1HD2  LEU  40          2HD2      LEU  40 -11.109  -2.413  -2.413
 1053   2HD2  LEU  40          1HD2      LEU  40 -11.274  -1.493  -1.493
 1054   3HD2  LEU  40          3HD2      LEU  40  -9.851  -1.270  -1.270
 1055    H    SER  41           H        SER  41 -10.754  -7.266  -7.266
 1056    HA   SER  41           HA       SER  41 -12.254  -9.199  -9.199
 1057   1HB   SER  41          2HB       SER  41 -12.826  -7.970  -7.970
 1058   2HB   SER  41          1HB       SER  41 -13.208  -9.617  -9.617
 1059    HG   SER  41           HG       SER  41 -10.768  -8.444  -8.444
 1060    H    HIS  42           H        HIS  42 -13.318  -5.937  -5.937
 1061    HA   HIS  42           HA       HIS  42 -16.104  -6.137  -6.137
 1062   1HB   HIS  42          2HB       HIS  42 -14.147  -4.136  -4.136
 1063   2HB   HIS  42          1HB       HIS  42 -15.887  -3.849  -3.849
 1064    HD1  HIS  42           HD1      HIS  42 -16.437  -2.336  -2.336
 1065    HD2  HIS  42           HD2      HIS  42 -13.536  -5.137  -5.137
 1066    HE1  HIS  42           HE1      HIS  42 -15.942  -1.961  -1.961
 1067    H    PHE  43           H        PHE  43 -13.779  -6.484  -6.484
 1068    HA   PHE  43           HA       PHE  43 -15.784  -6.447  -6.447
 1069   1HB   PHE  43          2HB       PHE  43 -12.853  -7.081  -7.081
 1070   2HB   PHE  43          1HB       PHE  43 -13.695  -7.460  -7.460
 1071    HD1  PHE  43           HD2      PHE  43 -15.585  -5.330  -5.330
 1072    HD2  PHE  43           HD1      PHE  43 -11.605  -5.159  -5.159
 1073    HE1  PHE  43           HE2      PHE  43 -15.412  -2.946  -2.946
 1074    HE2  PHE  43           HE1      PHE  43 -11.441  -2.772  -2.772
 1075    HZ   PHE  43           HZ       PHE  43 -13.344  -1.667  -1.667
 1076    H    LEU  44           H        LEU  44 -14.593  -8.794  -8.794
 1077    HA   LEU  44           HA       LEU  44 -14.913 -11.231 -11.231
 1078   1HB   LEU  44          2HB       LEU  44 -14.331 -10.494 -10.494
 1079   2HB   LEU  44          1HB       LEU  44 -16.026 -10.907 -10.907
 1080    HG   LEU  44           HG       LEU  44 -15.559 -13.121 -13.121
 1081   1HD1  LEU  44          2HD1      LEU  44 -13.350 -11.998 -11.998
 1082   2HD1  LEU  44          1HD1      LEU  44 -12.653 -12.642 -12.642
 1083   3HD1  LEU  44          3HD1      LEU  44 -13.419 -13.730 -13.730
 1084   1HD2  LEU  44          2HD2      LEU  44 -15.314 -12.430 -12.430
 1085   2HD2  LEU  44          1HD2      LEU  44 -14.994 -14.068 -14.068
 1086   3HD2  LEU  44          3HD2      LEU  44 -13.657 -12.950 -12.950
 1087    H    GLU  45           H        GLU  45 -17.234  -9.126  -9.126
 1088    HA   GLU  45           HA       GLU  45 -19.562 -10.677 -10.677
 1089   1HB   GLU  45          2HB       GLU  45 -18.846  -9.057  -9.057
 1090   2HB   GLU  45          1HB       GLU  45 -20.055  -8.129  -8.129
 1091   1HG   GLU  45          2HG       GLU  45 -21.587  -9.405  -9.405
 1092   2HG   GLU  45          1HG       GLU  45 -21.118 -10.678 -10.678
 1093    H    GLU  46           H        GLU  46 -17.669  -7.854  -7.854
 1094    HA   GLU  46           HA       GLU  46 -17.762  -6.350  -6.350
 1095   1HB   GLU  46          2HB       GLU  46 -18.057  -7.828  -7.828
 1096   2HB   GLU  46          1HB       GLU  46 -19.145  -8.820  -8.820
 1097   1HG   GLU  46          2HG       GLU  46 -21.041  -7.745  -7.745
 1098   2HG   GLU  46          1HG       GLU  46 -20.189  -6.233  -6.233
 1099    H    ILE  47           H        ILE  47 -21.129  -7.465  -7.465
 1100    HA   ILE  47           HA       ILE  47 -22.640  -5.260  -5.260
 1101    HB   ILE  47           HB       ILE  47 -23.248  -7.499  -7.499
 1102   1HG1  ILE  47          2HG1      ILE  47 -25.194  -6.593  -6.593
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.418  -5.010  -5.010
 1104   1HG2  ILE  47          1HG2      ILE  47 -22.421  -5.982  -5.982
 1105   2HG2  ILE  47          3HG2      ILE  47 -23.313  -7.505  -7.505
 1106   3HG2  ILE  47          2HG2      ILE  47 -21.672  -7.447  -7.447
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.562  -6.196  -6.196
 1108   2HD1  ILE  47          3HD1      ILE  47 -26.131  -5.824  -5.824
 1109   3HD1  ILE  47          2HD1      ILE  47 -24.924  -4.552  -4.552
 1110    H    LYS  48           H        LYS  48 -20.402  -5.602  -5.602
 1111    HA   LYS  48           HA       LYS  48 -21.119  -3.562  -3.562
 1112   1HB   LYS  48          2HB       LYS  48 -18.338  -4.168  -4.168
 1113   2HB   LYS  48          1HB       LYS  48 -18.718  -3.448  -3.448
 1114   1HG   LYS  48          2HG       LYS  48 -19.281  -6.267  -6.267
 1115   2HG   LYS  48          1HG       LYS  48 -18.330  -5.750  -5.750
 1116   1HD   LYS  48          2HD       LYS  48 -20.423  -4.779  -4.779
 1117   2HD   LYS  48          1HD       LYS  48 -21.330  -5.501  -5.501
 1118   1HE   LYS  48          2HE       LYS  48 -21.439  -7.413  -7.413
 1119   2HE   LYS  48          1HE       LYS  48 -19.678  -7.563  -7.563
 1120   1HZ   LYS  48          2HZ       LYS  48 -19.648  -5.757  -5.757
 1121   2HZ   LYS  48          1HZ       LYS  48 -21.217  -6.313  -6.313
 1122   3HZ   LYS  48          3HZ       LYS  48 -19.902  -7.379  -7.379
 1123    H    GLU  49           H        GLU  49 -20.041  -3.262  -3.262
 1124    HA   GLU  49           HA       GLU  49 -20.445  -0.339  -0.339
 1125   1HB   GLU  49          2HB       GLU  49 -18.104  -0.136  -0.136
 1126   2HB   GLU  49          1HB       GLU  49 -18.167  -0.417  -0.417
 1127   1HG   GLU  49          2HG       GLU  49 -17.992  -2.917  -2.917
 1128   2HG   GLU  49          1HG       GLU  49 -17.568  -2.423  -2.423
 1129    H    GLN  50           H        GLN  50 -22.058  -0.529  -0.529
 1130    HA   GLN  50           HA       GLN  50 -21.882  -2.208  -2.208
 1131   1HB   GLN  50          2HB       GLN  50 -23.533   0.237   0.237
 1132   2HB   GLN  50          1HB       GLN  50 -23.852  -0.811  -0.811
 1133   1HG   GLN  50          2HG       GLN  50 -23.858  -2.741  -2.741
 1134   2HG   GLN  50          1HG       GLN  50 -24.053  -1.461  -1.461
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.051  -1.703  -1.703
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.437  -1.872  -1.872
 1137    H    GLU  51           H        GLU  51 -21.891   1.388   1.388
 1138    HA   GLU  51           HA       GLU  51 -21.205   2.047   2.047
 1139   1HB   GLU  51          2HB       GLU  51 -21.470   3.667   3.667
 1140   2HB   GLU  51          1HB       GLU  51 -19.973   3.114   3.114
 1141   1HG   GLU  51          2HG       GLU  51 -18.999   3.638   3.638
 1142   2HG   GLU  51          1HG       GLU  51 -20.359   4.761   4.761
 1143    H    VAL  52           H        VAL  52 -18.786   1.021   1.021
 1144    HA   VAL  52           HA       VAL  52 -16.609   1.098   1.098
 1145    HB   VAL  52           HB       VAL  52 -16.559   1.349   1.349
 1146   1HG1  VAL  52          3HG1      VAL  52 -17.914  -0.678  -0.678
 1147   2HG1  VAL  52          2HG1      VAL  52 -16.617  -1.675  -1.675
 1148   3HG1  VAL  52          1HG1      VAL  52 -16.351  -0.735  -0.735
 1149   1HG2  VAL  52          1HG2      VAL  52 -14.707  -0.433  -0.433
 1150   2HG2  VAL  52          3HG2      VAL  52 -14.466   1.244   1.244
 1151   3HG2  VAL  52          2HG2      VAL  52 -14.378  -0.046  -0.046
 1152    H    VAL  53           H        VAL  53 -18.603  -1.469  -1.469
 1153    HA   VAL  53           HA       VAL  53 -17.438  -3.755  -3.755
 1154    HB   VAL  53           HB       VAL  53 -20.260  -2.879  -2.879
 1155   1HG1  VAL  53          2HG1      VAL  53 -19.413  -5.544  -5.544
 1156   2HG1  VAL  53          1HG1      VAL  53 -20.983  -5.236  -5.236
 1157   3HG1  VAL  53          3HG1      VAL  53 -20.520  -4.379  -4.379
 1158   1HG2  VAL  53          1HG2      VAL  53 -18.396  -3.601  -3.601
 1159   2HG2  VAL  53          3HG2      VAL  53 -20.016  -4.270  -4.270
 1160   3HG2  VAL  53          2HG2      VAL  53 -18.749  -5.233  -5.233
 1161    H    ASP  54           H        ASP  54 -19.385  -1.213  -1.213
 1162    HA   ASP  54           HA       ASP  54 -19.777  -2.464  -2.464
 1163   1HB   ASP  54          2HB       ASP  54 -21.283  -0.745  -0.745
 1164   2HB   ASP  54          1HB       ASP  54 -20.044   0.251   0.251
 1165    H    LYS  55           H        LYS  55 -17.461  -0.130  -0.130
 1166    HA   LYS  55           HA       LYS  55 -15.869   0.125   0.125
 1167   1HB   LYS  55          2HB       LYS  55 -15.716   0.863   0.863
 1168   2HB   LYS  55          1HB       LYS  55 -14.248   0.978   0.978
 1169   1HG   LYS  55          2HG       LYS  55 -15.058   3.041   3.041
 1170   2HG   LYS  55          1HG       LYS  55 -16.052   2.141   2.141
 1171   1HD   LYS  55          2HD       LYS  55 -17.872   2.024   2.024
 1172   2HD   LYS  55          1HD       LYS  55 -16.880   2.830   2.830
 1173   1HE   LYS  55          2HE       LYS  55 -16.838   4.877   4.877
 1174   2HE   LYS  55          1HE       LYS  55 -17.567   4.081   4.081
 1175   1HZ   LYS  55          2HZ       LYS  55 -19.302   3.424   3.424
 1176   2HZ   LYS  55          1HZ       LYS  55 -18.808   4.949   4.949
 1177   3HZ   LYS  55          3HZ       LYS  55 -19.479   4.797   4.797
 1178    H    VAL  56           H        VAL  56 -15.079  -1.341  -1.341
 1179    HA   VAL  56           HA       VAL  56 -12.780  -2.714  -2.714
 1180    HB   VAL  56           HB       VAL  56 -15.415  -3.569  -3.569
 1181   1HG1  VAL  56          2HG1      VAL  56 -14.151  -5.612  -5.612
 1182   2HG1  VAL  56          1HG1      VAL  56 -12.748  -4.997  -4.997
 1183   3HG1  VAL  56          3HG1      VAL  56 -14.223  -5.400  -5.400
 1184   1HG2  VAL  56          2HG2      VAL  56 -13.557  -1.717  -1.717
 1185   2HG2  VAL  56          1HG2      VAL  56 -14.632  -2.570  -2.570
 1186   3HG2  VAL  56          3HG2      VAL  56 -12.988  -3.153  -3.153
 1187    H    MET  57           H        MET  57 -15.952  -3.966  -3.966
 1188    HA   MET  57           HA       MET  57 -14.752  -6.243  -6.243
 1189   1HB   MET  57          2HB       MET  57 -17.505  -4.974  -4.974
 1190   2HB   MET  57          1HB       MET  57 -17.083  -6.601  -6.601
 1191   1HG   MET  57          2HG       MET  57 -16.441  -7.194  -7.194
 1192   2HG   MET  57          1HG       MET  57 -16.887  -5.574  -5.574
 1193   1HE   MET  57          1HE       MET  57 -17.745  -9.015  -9.015
 1194   2HE   MET  57          3HE       MET  57 -19.464  -9.185  -9.185
 1195   3HE   MET  57          2HE       MET  57 -18.318  -8.736  -8.736
 1196    H    GLU  58           H        GLU  58 -15.725  -2.970  -2.970
 1197    HA   GLU  58           HA       GLU  58 -15.905  -3.243  -3.243
 1198   1HB   GLU  58          2HB       GLU  58 -15.917  -0.930  -0.930
 1199   2HB   GLU  58          1HB       GLU  58 -16.189  -1.247  -1.247
 1200   1HG   GLU  58          2HG       GLU  58 -14.449   0.317   0.317
 1201   2HG   GLU  58          1HG       GLU  58 -13.570  -1.205  -1.205
 1202    H    THR  59           H        THR  59 -13.013  -2.954  -2.954
 1203    HA   THR  59           HA       THR  59 -11.245  -2.949  -2.949
 1204    HB   THR  59           HB       THR  59 -10.781  -2.873  -2.873
 1205    HG1  THR  59           HG1      THR  59 -10.746  -0.938  -0.938
 1206   1HG2  THR  59          2HG2      THR  59  -8.913  -2.945  -2.945
 1207   2HG2  THR  59          1HG2      THR  59  -8.475  -1.987  -1.987
 1208   3HG2  THR  59          3HG2      THR  59  -8.757  -3.721  -3.721
 1209    H    LEU  60           H        LEU  60 -11.993  -5.017  -5.017
 1210    HA   LEU  60           HA       LEU  60 -10.159  -7.139  -7.139
 1211   1HB   LEU  60          2HB       LEU  60 -11.042  -6.653  -6.653
 1212   2HB   LEU  60          1HB       LEU  60 -12.667  -7.063  -7.063
 1213    HG   LEU  60           HG       LEU  60 -11.856  -9.350  -9.350
 1214   1HD1  LEU  60          3HD1      LEU  60  -9.302  -8.094  -8.094
 1215   2HD1  LEU  60          2HD1      LEU  60  -9.569  -9.774  -9.774
 1216   3HD1  LEU  60          1HD1      LEU  60  -9.584  -9.317  -9.317
 1217   1HD2  LEU  60          2HD2      LEU  60 -12.376  -8.223  -8.223
 1218   2HD2  LEU  60          1HD2      LEU  60 -12.516  -9.921  -9.921
 1219   3HD2  LEU  60          3HD2      LEU  60 -11.009  -9.315  -9.315
 1220    H    ASP  61           H        ASP  61 -13.277  -6.231  -6.231
 1221    HA   ASP  61           HA       ASP  61 -14.274  -8.820  -8.820
 1222   1HB   ASP  61          2HB       ASP  61 -15.734  -6.915  -6.915
 1223   2HB   ASP  61          1HB       ASP  61 -14.802  -5.972  -5.972
 1224    H    SER  62           H        SER  62 -11.695  -6.943  -6.943
 1225    HA   SER  62           HA       SER  62 -11.743  -7.155  -7.155
 1226   1HB   SER  62          2HB       SER  62  -9.192  -7.563  -7.563
 1227   2HB   SER  62          1HB       SER  62  -9.899  -6.085  -6.085
 1228    HG   SER  62           HG       SER  62  -9.376  -8.515  -8.515
 1229    H    ASP  63           H        ASP  63 -11.438  -9.622  -9.622
 1230    HA   ASP  63           HA       ASP  63 -10.989 -11.954 -11.954
 1231   1HB   ASP  63          2HB       ASP  63 -13.403 -11.474 -11.474
 1232   2HB   ASP  63          1HB       ASP  63 -13.072 -11.437 -11.437
 1233    H    GLY  64           H        GLY  64  -8.757 -11.554 -11.554
 1234   1HA   GLY  64          2HA       GLY  64  -7.820 -13.224 -13.224
 1235   2HA   GLY  64          1HA       GLY  64  -8.752 -12.231 -12.231
 1236    H    ASP  65           H        ASP  65  -8.039 -10.073 -10.073
 1237    HA   ASP  65           HA       ASP  65  -5.149  -9.695  -9.695
 1238   1HB   ASP  65          2HB       ASP  65  -7.449  -8.258  -8.258
 1239   2HB   ASP  65          1HB       ASP  65  -5.854  -7.510  -7.510
 1240    H    GLY  66           H        GLY  66  -6.301  -9.730  -9.730
 1241   1HA   GLY  66          2HA       GLY  66  -5.474  -7.135  -7.135
 1242   2HA   GLY  66          1HA       GLY  66  -7.221  -7.391  -7.391
 1243    H    GLU  67           H        GLU  67  -4.298  -9.358  -9.358
 1244    HA   GLU  67           HA       GLU  67  -5.537 -10.766 -10.766
 1245   1HB   GLU  67          2HB       GLU  67  -3.151 -11.867 -11.867
 1246   2HB   GLU  67          1HB       GLU  67  -4.344 -12.238 -12.238
 1247   1HG   GLU  67          2HG       GLU  67  -3.318 -10.745 -10.745
 1248   2HG   GLU  67          1HG       GLU  67  -2.302 -10.023 -10.023
 1249    H    CYS  68           H        CYS  68  -3.772 -11.147 -11.147
 1250    HA   CYS  68           HA       CYS  68  -3.252  -8.433  -8.433
 1251   1HB   CYS  68          2HB       CYS  68  -4.482 -10.045 -10.045
 1252   2HB   CYS  68          1HB       CYS  68  -3.182 -11.217 -11.217
 1253    HG   CYS  68           HG       CYS  68  -1.697  -9.252  -9.252
 1254    H    ASP  69           H        ASP  69  -1.360  -8.582  -8.582
 1255    HA   ASP  69           HA       ASP  69   1.033  -9.945  -9.945
 1256   1HB   ASP  69          2HB       ASP  69   0.521  -8.159  -8.159
 1257   2HB   ASP  69          1HB       ASP  69   2.087  -8.858  -8.858
 1258    H    PHE  70           H        PHE  70   3.029  -8.587  -8.587
 1259    HA   PHE  70           HA       PHE  70   3.207  -6.999  -6.999
 1260   1HB   PHE  70          2HB       PHE  70   4.511  -6.696  -6.696
 1261   2HB   PHE  70          1HB       PHE  70   5.130  -5.959  -5.959
 1262    HD1  PHE  70           HD1      PHE  70   4.728  -7.760  -7.760
 1263    HD2  PHE  70           HD2      PHE  70   5.643  -8.725  -8.725
 1264    HE1  PHE  70           HE1      PHE  70   5.637  -9.933  -9.933
 1265    HE2  PHE  70           HE2      PHE  70   6.537 -10.922 -10.922
 1266    HZ   PHE  70           HZ       PHE  70   6.532 -11.517 -11.517
 1267    H    GLN  71           H        GLN  71   3.204  -5.074  -5.074
 1268    HA   GLN  71           HA       GLN  71   2.329  -2.712  -2.712
 1269   1HB   GLN  71          2HB       GLN  71   2.014  -1.861  -1.861
 1270   2HB   GLN  71          1HB       GLN  71   3.339  -3.019  -3.019
 1271   1HG   GLN  71          2HG       GLN  71   2.010  -3.674  -3.674
 1272   2HG   GLN  71          1HG       GLN  71   1.439  -4.750  -4.750
 1273   1HE2  GLN  71          2HE2      GLN  71  -1.709  -3.445  -3.445
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.550  -4.636  -4.636
 1275    H    GLU  72           H        GLU  72   0.488  -5.510  -5.510
 1276    HA   GLU  72           HA       GLU  72  -2.092  -4.120  -4.120
 1277   1HB   GLU  72          2HB       GLU  72  -1.722  -7.048  -7.048
 1278   2HB   GLU  72          1HB       GLU  72  -2.930  -6.257  -6.257
 1279   1HG   GLU  72          2HG       GLU  72  -0.651  -5.485  -5.485
 1280   2HG   GLU  72          1HG       GLU  72  -0.162  -7.053  -7.053
 1281    H    PHE  73           H        PHE  73  -0.593  -6.341  -6.341
 1282    HA   PHE  73           HA       PHE  73  -2.617  -6.254  -6.254
 1283   1HB   PHE  73          2HB       PHE  73  -0.854  -7.697  -7.697
 1284   2HB   PHE  73          1HB       PHE  73   0.364  -6.523  -6.523
 1285    HD1  PHE  73           HD1      PHE  73  -2.389  -5.573  -5.573
 1286    HD2  PHE  73           HD2      PHE  73   1.672  -6.903  -6.903
 1287    HE1  PHE  73           HE1      PHE  73  -2.051  -4.896  -4.896
 1288    HE2  PHE  73           HE2      PHE  73   2.016  -6.241  -6.241
 1289    HZ   PHE  73           HZ       PHE  73   0.152  -5.230  -5.230
 1290    H    MET  74           H        MET  74   0.203  -4.001  -4.001
 1291    HA   MET  74           HA       MET  74  -0.896  -2.243  -2.243
 1292   1HB   MET  74          2HB       MET  74   1.074  -1.795  -1.795
 1293   2HB   MET  74          1HB       MET  74   0.847  -0.706  -0.706
 1294   1HG   MET  74          2HG       MET  74   1.339  -3.568  -3.568
 1295   2HG   MET  74          1HG       MET  74   2.706  -2.652  -2.652
 1296   1HE   MET  74          2HE       MET  74   3.859  -0.809  -0.809
 1297   2HE   MET  74          1HE       MET  74   2.440   0.233   0.233
 1298   3HE   MET  74          3HE       MET  74   3.386   0.121   0.121
 1299    H    ALA  75           H        ALA  75  -1.344  -2.523  -2.523
 1300    HA   ALA  75           HA       ALA  75  -2.480   0.079   0.079
 1301   1HB   ALA  75          1HB       ALA  75  -2.355  -2.606  -2.606
 1302   2HB   ALA  75          3HB       ALA  75  -3.559  -1.477  -1.477
 1303   3HB   ALA  75          2HB       ALA  75  -1.850  -1.040  -1.040
 1304    H    PHE  76           H        PHE  76  -4.298  -2.977  -2.977
 1305    HA   PHE  76           HA       PHE  76  -6.844  -1.840  -1.840
 1306   1HB   PHE  76          2HB       PHE  76  -6.348  -4.081  -4.081
 1307   2HB   PHE  76          1HB       PHE  76  -5.798  -4.601  -4.601
 1308    HD1  PHE  76           HD2      PHE  76  -8.763  -2.958  -2.958
 1309    HD2  PHE  76           HD1      PHE  76  -7.328  -5.664  -5.664
 1310    HE1  PHE  76           HE2      PHE  76 -11.102  -3.513  -3.513
 1311    HE2  PHE  76           HE1      PHE  76  -9.664  -6.219  -6.219
 1312    HZ   PHE  76           HZ       PHE  76 -11.551  -5.143  -5.143
 1313    H    VAL  77           H        VAL  77  -4.761  -3.509  -3.509
 1314    HA   VAL  77           HA       VAL  77  -6.382  -3.267  -3.267
 1315    HB   VAL  77           HB       VAL  77  -3.964  -4.155  -4.155
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.043  -1.956  -1.956
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.351  -1.322  -1.322
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.184  -2.624  -2.624
 1319   1HG2  VAL  77          3HG2      VAL  77  -5.416  -3.217  -3.217
 1320   2HG2  VAL  77          2HG2      VAL  77  -4.286  -4.567  -4.567
 1321   3HG2  VAL  77          1HG2      VAL  77  -3.693  -2.948  -2.948
 1322    H    ALA  78           H        ALA  78  -4.404  -0.792  -0.792
 1323    HA   ALA  78           HA       ALA  78  -5.020   1.340   1.340
 1324   1HB   ALA  78          2HB       ALA  78  -3.124   1.163   1.163
 1325   2HB   ALA  78          1HB       ALA  78  -4.316   1.533   1.533
 1326   3HB   ALA  78          3HB       ALA  78  -3.963   2.714   2.714
 1327    H    MET  79           H        MET  79  -6.362   0.285   0.285
 1328    HA   MET  79           HA       MET  79  -8.322   2.306   2.306
 1329   1HB   MET  79          2HB       MET  79  -7.778   0.650   0.650
 1330   2HB   MET  79          1HB       MET  79  -8.302  -0.662  -0.662
 1331   1HG   MET  79          2HG       MET  79 -10.144  -0.327  -0.327
 1332   2HG   MET  79          1HG       MET  79 -10.593   0.535   0.535
 1333   1HE   MET  79          3HE       MET  79 -11.506   2.368   2.368
 1334   2HE   MET  79          2HE       MET  79 -11.498   3.775   3.775
 1335   3HE   MET  79          1HE       MET  79 -12.401   2.334   2.334
 1336    H    ILE  80           H        ILE  80  -8.416  -0.731  -0.731
 1337    HA   ILE  80           HA       ILE  80 -11.153  -0.459  -0.459
 1338    HB   ILE  80           HB       ILE  80  -8.812  -1.821  -1.821
 1339   1HG1  ILE  80          2HG1      ILE  80  -8.791  -2.476  -2.476
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.394  -3.808  -3.808
 1341   1HG2  ILE  80          1HG2      ILE  80 -11.388  -1.597  -1.597
 1342   2HG2  ILE  80          3HG2      ILE  80 -11.499  -3.060  -3.060
 1343   3HG2  ILE  80          2HG2      ILE  80 -10.370  -2.990  -2.990
 1344   1HD1  ILE  80          3HD1      ILE  80 -11.578  -2.083  -2.083
 1345   2HD1  ILE  80          2HD1      ILE  80 -10.683  -2.583  -2.583
 1346   3HD1  ILE  80          1HD1      ILE  80 -11.353  -3.796  -3.796
 1347    H    THR  81           H        THR  81  -8.029  -0.029  -0.029
 1348    HA   THR  81           HA       THR  81  -8.700   1.077   1.077
 1349    HB   THR  81           HB       THR  81  -6.559   1.839   1.839
 1350    HG1  THR  81           HG1      THR  81  -5.843   0.009   0.009
 1351   1HG2  THR  81          3HG2      THR  81  -6.885   2.645   2.645
 1352   2HG2  THR  81          2HG2      THR  81  -5.363   2.770   2.770
 1353   3HG2  THR  81          1HG2      THR  81  -6.763   3.713   3.713
 1354    H    THR  82           H        THR  82  -9.108   2.601   2.601
 1355    HA   THR  82           HA       THR  82  -9.444   5.292   5.292
 1356    HB   THR  82           HB       THR  82 -10.114   5.801   5.801
 1357    HG1  THR  82           HG1      THR  82 -11.688   4.264   4.264
 1358   1HG2  THR  82          3HG2      THR  82  -7.792   4.390   4.390
 1359   2HG2  THR  82          2HG2      THR  82  -8.449   3.546   3.546
 1360   3HG2  THR  82          1HG2      THR  82  -8.114   5.275   5.275
 1361    H    ALA  83           H        ALA  83 -11.305   2.562   2.562
 1362    HA   ALA  83           HA       ALA  83 -13.979   3.611   3.611
 1363   1HB   ALA  83          3HB       ALA  83 -13.049   1.187   1.187
 1364   2HB   ALA  83          2HB       ALA  83 -13.096   1.499   1.499
 1365   3HB   ALA  83          1HB       ALA  83 -14.582   1.563   1.563
 1366    H    CYS  84           H        CYS  84 -11.463   4.091   4.091
 1367    HA   CYS  84           HA       CYS  84 -13.227   4.868   4.868
 1368   1HB   CYS  84          2HB       CYS  84 -10.486   4.127   4.127
 1369   2HB   CYS  84          1HB       CYS  84 -10.519   5.673   5.673
 1370    HG   CYS  84           HG       CYS  84 -10.686   3.866   3.866
 1371    H    HIS  85           H        HIS  85 -11.832   6.358   6.358
 1372    HA   HIS  85           HA       HIS  85 -11.676   8.621   8.621
 1373   1HB   HIS  85          2HB       HIS  85 -13.913   8.940   8.940
 1374   2HB   HIS  85          1HB       HIS  85 -13.681   9.837   9.837
 1375    HD1  HIS  85           HD1      HIS  85 -15.494   7.028   7.028
 1376    HD2  HIS  85           HD2      HIS  85 -13.818   7.943   7.943
 1377    HE1  HIS  85           HE1      HIS  85 -16.589   5.482   5.482
 1378    H    GLU  86           H        GLU  86 -12.235  10.972  10.972
 1379    HA   GLU  86           HA       GLU  86 -11.339  12.404  12.404
 1380   1HB   GLU  86          2HB       GLU  86 -11.893  10.190  10.190
 1381   2HB   GLU  86          1HB       GLU  86 -10.141   9.987   9.987
 1382   1HG   GLU  86          2HG       GLU  86 -11.282  12.643  12.643
 1383   2HG   GLU  86          1HG       GLU  86 -11.346  11.316  11.316
 1384    H    PHE  87           H        PHE  87  -9.029   9.681   9.681
 1385    HA   PHE  87           HA       PHE  87  -6.895  11.718  11.718
 1386   1HB   PHE  87          2HB       PHE  87  -5.405   9.830   9.830
 1387   2HB   PHE  87          1HB       PHE  87  -6.576  10.307  10.307
 1388    HD1  PHE  87           HD1      PHE  87  -6.076   7.945   7.945
 1389    HD2  PHE  87           HD2      PHE  87  -8.068   8.723   8.723
 1390    HE1  PHE  87           HE1      PHE  87  -7.084   5.643   5.643
 1391    HE2  PHE  87           HE2      PHE  87  -9.032   6.439   6.439
 1392    HZ   PHE  87           HZ       PHE  87  -8.538   4.901   4.901
 1393    H    PHE  88           H        PHE  88  -8.404   8.736   8.736
 1394    HA   PHE  88           HA       PHE  88  -6.553   8.788   8.788
 1395   1HB   PHE  88          2HB       PHE  88  -7.939   6.761   6.761
 1396   2HB   PHE  88          1HB       PHE  88  -8.429   6.695   6.695
 1397    HD1  PHE  88           HD2      PHE  88  -5.485   6.381   6.381
 1398    HD2  PHE  88           HD1      PHE  88  -6.908   6.177   6.177
 1399    HE1  PHE  88           HE2      PHE  88  -3.375   5.305   5.305
 1400    HE2  PHE  88           HE1      PHE  88  -4.790   5.089   5.089
 1401    HZ   PHE  88           HZ       PHE  88  -3.020   4.654   4.654
 1402    H    GLU  89           H        GLU  89  -9.566   9.936   9.936
 1403    HA   GLU  89           HA       GLU  89 -11.617   9.628   9.628
 1404   1HB   GLU  89          2HB       GLU  89 -10.602  11.714  11.714
 1405   2HB   GLU  89          1HB       GLU  89 -10.757  12.432  12.432
 1406   1HG   GLU  89          2HG       GLU  89 -13.078  11.994  11.994
 1407   2HG   GLU  89          1HG       GLU  89 -13.001  10.822  10.822
 1408    H    HIS  90           H        HIS  90 -11.512   8.864   8.864
 1409    HA   HIS  90           HA       HIS  90  -9.654   9.553   9.553
 1410   1HB   HIS  90          2HB       HIS  90 -12.382   8.366   8.366
 1411   2HB   HIS  90          1HB       HIS  90 -11.822   8.834   8.834
 1412    HD1  HIS  90           HD1      HIS  90 -11.112   6.661   6.661
 1413    HD2  HIS  90           HD2      HIS  90  -9.610   7.103   7.103
 1414    HE1  HIS  90           HE1      HIS  90  -9.539   4.717   4.717
 1415    H    GLU  91           H        GLU  91  -9.931  10.961  10.961
 1416    HA   GLU  91           HA       GLU  91 -10.858  13.597  13.597
 1417   1HB   GLU  91          2HB       GLU  91  -9.866  12.036  12.036
 1418   2HB   GLU  91          1HB       GLU  91 -10.718  13.536  13.536
 1419   1HG   GLU  91          2HG       GLU  91  -8.865  13.902  13.902
 1420   2HG   GLU  91          1HG       GLU  91  -8.037  13.296  13.296

  Start of MODEL   13
    1   1H    MET   0          2H        MET   0   0.526  -8.744  -8.744
    2   2H    MET   0          1H        MET   0   0.398 -10.153 -10.153
    3   3H    MET   0          3H        MET   0   1.056 -10.234 -10.234
    4    HA   MET   0           HA       MET   0  -0.943 -10.458 -10.458
    5   1HB   MET   0          2HB       MET   0  -1.376 -10.766 -10.766
    6   2HB   MET   0          1HB       MET   0  -2.756 -10.904 -10.904
    7   1HG   MET   0          2HG       MET   0  -0.891 -12.453 -12.453
    8   2HG   MET   0          1HG       MET   0  -0.496 -12.752 -12.752
    9   1HE   MET   0          1HE       MET   0  -2.620 -12.584 -12.584
   10   2HE   MET   0          3HE       MET   0  -3.916 -11.867 -11.867
   11   3HE   MET   0          2HE       MET   0  -4.117 -13.472 -13.472
   12    H    SER   1           H        SER   1  -1.690  -8.458  -8.458
   13    HA   SER   1           HA       SER   1  -3.721  -6.921  -6.921
   14   1HB   SER   1          2HB       SER   1  -3.990  -5.944  -5.944
   15   2HB   SER   1          1HB       SER   1  -3.272  -7.498  -7.498
   16    HG   SER   1           HG       SER   1  -1.263  -6.476  -6.476
   17    H    GLU   2           H        GLU   2  -0.300  -6.738  -6.738
   18    HA   GLU   2           HA       GLU   2   0.358  -4.038  -4.038
   19   1HB   GLU   2          2HB       GLU   2   1.261  -6.360  -6.360
   20   2HB   GLU   2          1HB       GLU   2   2.099  -4.809  -4.809
   21   1HG   GLU   2          2HG       GLU   2   2.372  -5.061  -5.061
   22   2HG   GLU   2          1HG       GLU   2   1.616  -6.652  -6.652
   23    H    LEU   3           H        LEU   3  -1.607  -5.779  -5.779
   24    HA   LEU   3           HA       LEU   3  -1.315  -3.827  -3.827
   25   1HB   LEU   3          2HB       LEU   3  -3.225  -6.110  -6.110
   26   2HB   LEU   3          1HB       LEU   3  -3.192  -5.215  -5.215
   27    HG   LEU   3           HG       LEU   3  -0.660  -6.421  -6.421
   28   1HD1  LEU   3          2HD1      LEU   3  -3.023  -7.884  -7.884
   29   2HD1  LEU   3          1HD1      LEU   3  -1.760  -8.157  -8.157
   30   3HD1  LEU   3          3HD1      LEU   3  -1.453  -8.512  -8.512
   31   1HD2  LEU   3          1HD2      LEU   3  -1.699  -5.279  -5.279
   32   2HD2  LEU   3          3HD2      LEU   3  -0.063  -5.249  -5.249
   33   3HD2  LEU   3          2HD2      LEU   3  -0.653  -6.689  -6.689
   34    H    GLU   4           H        GLU   4  -3.678  -4.439  -4.439
   35    HA   GLU   4           HA       GLU   4  -5.447  -2.280  -2.280
   36   1HB   GLU   4          2HB       GLU   4  -6.825  -2.979  -2.979
   37   2HB   GLU   4          1HB       GLU   4  -6.343  -4.379  -4.379
   38   1HG   GLU   4          2HG       GLU   4  -5.276  -5.279  -5.279
   39   2HG   GLU   4          1HG       GLU   4  -4.331  -3.810  -3.810
   40    H    LYS   5           H        LYS   5  -2.896  -2.834  -2.834
   41    HA   LYS   5           HA       LYS   5  -3.348  -0.425  -0.425
   42   1HB   LYS   5          2HB       LYS   5  -0.793  -2.023  -2.023
   43   2HB   LYS   5          1HB       LYS   5  -1.294  -1.126  -1.126
   44   1HG   LYS   5          2HG       LYS   5  -3.329  -3.067  -3.067
   45   2HG   LYS   5          1HG       LYS   5  -1.765  -3.874  -3.874
   46   1HD   LYS   5          2HD       LYS   5  -3.022  -3.689  -3.689
   47   2HD   LYS   5          1HD       LYS   5  -1.374  -3.057  -3.057
   48   1HE   LYS   5          2HE       LYS   5  -2.100  -0.812  -0.812
   49   2HE   LYS   5          1HE       LYS   5  -3.710  -1.241  -1.241
   50   1HZ   LYS   5          2HZ       LYS   5  -2.612  -2.107  -2.107
   51   2HZ   LYS   5          1HZ       LYS   5  -3.704  -0.820  -0.820
   52   3HZ   LYS   5          3HZ       LYS   5  -4.179  -2.403  -2.403
   53    H    ALA   6           H        ALA   6  -1.655  -1.346  -1.346
   54    HA   ALA   6           HA       ALA   6  -0.130   1.132   1.132
   55   1HB   ALA   6          2HB       ALA   6  -0.651  -1.379  -1.379
   56   2HB   ALA   6          1HB       ALA   6  -0.368   0.022   0.022
   57   3HB   ALA   6          3HB       ALA   6   0.849  -0.463  -0.463
   58    H    VAL   7           H        VAL   7  -3.219  -0.202  -0.202
   59    HA   VAL   7           HA       VAL   7  -4.125   1.723   1.723
   60    HB   VAL   7           HB       VAL   7  -5.169  -0.231  -0.231
   61   1HG1  VAL   7          3HG1      VAL   7  -6.733   2.070   2.070
   62   2HG1  VAL   7          2HG1      VAL   7  -7.525   0.493   0.493
   63   3HG1  VAL   7          1HG1      VAL   7  -6.871   1.208   1.208
   64   1HG2  VAL   7          1HG2      VAL   7  -4.955   0.090   0.090
   65   2HG2  VAL   7          3HG2      VAL   7  -5.039  -1.383  -1.383
   66   3HG2  VAL   7          2HG2      VAL   7  -6.521  -0.538  -0.538
   67    H    VAL   8           H        VAL   8  -4.353   1.664   1.664
   68    HA   VAL   8           HA       VAL   8  -5.610   4.244   4.244
   69    HB   VAL   8           HB       VAL   8  -4.084   2.275   2.275
   70   1HG1  VAL   8          2HG1      VAL   8  -4.459   5.180   5.180
   71   2HG1  VAL   8          1HG1      VAL   8  -4.754   4.039   4.039
   72   3HG1  VAL   8          3HG1      VAL   8  -3.179   4.083   4.083
   73   1HG2  VAL   8          3HG2      VAL   8  -6.657   2.389   2.389
   74   2HG2  VAL   8          2HG2      VAL   8  -6.145   1.949   1.949
   75   3HG2  VAL   8          1HG2      VAL   8  -6.692   3.591   3.591
   76    H    ALA   9           H        ALA   9  -2.273   3.119   3.119
   77    HA   ALA   9           HA       ALA   9  -0.986   5.624   5.624
   78   1HB   ALA   9          3HB       ALA   9  -0.137   3.149   3.149
   79   2HB   ALA   9          2HB       ALA   9   0.127   3.482   3.482
   80   3HB   ALA   9          1HB       ALA   9   0.966   4.436   4.436
   81    H    LEU  10           H        LEU  10  -2.254   4.206   4.206
   82    HA   LEU  10           HA       LEU  10  -0.999   6.004   6.004
   83   1HB   LEU  10          2HB       LEU  10  -3.829   5.190   5.190
   84   2HB   LEU  10          1HB       LEU  10  -2.461   5.119   5.119
   85    HG   LEU  10           HG       LEU  10  -3.066   3.191   3.191
   86   1HD1  LEU  10          3HD1      LEU  10  -2.865   2.910   2.910
   87   2HD1  LEU  10          2HD1      LEU  10  -3.067   1.561   1.561
   88   3HD1  LEU  10          1HD1      LEU  10  -4.330   2.781   2.781
   89   1HD2  LEU  10          1HD2      LEU  10  -0.645   3.344   3.344
   90   2HD2  LEU  10          3HD2      LEU  10  -0.640   3.649   3.649
   91   3HD2  LEU  10          2HD2      LEU  10  -0.986   2.032   2.032
   92    H    ILE  11           H        ILE  11  -4.310   5.985   5.985
   93    HA   ILE  11           HA       ILE  11  -5.210   8.404   8.404
   94    HB   ILE  11           HB       ILE  11  -6.917   8.138   8.138
   95   1HG1  ILE  11          2HG1      ILE  11  -5.362   7.215   7.215
   96   2HG1  ILE  11          1HG1      ILE  11  -5.258   8.917   8.917
   97   1HG2  ILE  11          2HG2      ILE  11  -6.253   5.818   5.818
   98   2HG2  ILE  11          1HG2      ILE  11  -5.533   5.609   5.609
   99   3HG2  ILE  11          3HG2      ILE  11  -7.266   5.900   5.900
  100   1HD1  ILE  11          2HD1      ILE  11  -7.924   7.547   7.547
  101   2HD1  ILE  11          1HD1      ILE  11  -7.150   8.205   8.205
  102   3HD1  ILE  11          3HD1      ILE  11  -7.557   9.269   9.269
  103    H    ASP  12           H        ASP  12  -2.837   7.880   7.880
  104    HA   ASP  12           HA       ASP  12  -2.661  10.704  10.704
  105   1HB   ASP  12          2HB       ASP  12  -2.081   8.665   8.665
  106   2HB   ASP  12          1HB       ASP  12  -0.720   8.378   8.378
  107    H    VAL  13           H        VAL  13  -0.707   8.356   8.356
  108    HA   VAL  13           HA       VAL  13   1.165  10.209  10.209
  109    HB   VAL  13           HB       VAL  13   0.147   7.454   7.454
  110   1HG1  VAL  13          3HG1      VAL  13   1.495   9.201   9.201
  111   2HG1  VAL  13          2HG1      VAL  13   2.758   8.151   8.151
  112   3HG1  VAL  13          1HG1      VAL  13   1.365   7.452   7.452
  113   1HG2  VAL  13          1HG2      VAL  13   1.440   7.828   7.828
  114   2HG2  VAL  13          3HG2      VAL  13   2.191   6.691   6.691
  115   3HG2  VAL  13          2HG2      VAL  13   2.805   8.339   8.339
  116    H    PHE  14           H        PHE  14  -1.463   8.446   8.446
  117    HA   PHE  14           HA       PHE  14  -1.391  10.054  10.054
  118   1HB   PHE  14          2HB       PHE  14  -3.092   8.011   8.011
  119   2HB   PHE  14          1HB       PHE  14  -4.137   9.411   9.411
  120    HD1  PHE  14           HD2      PHE  14  -1.142   8.364   8.364
  121    HD2  PHE  14           HD1      PHE  14  -5.277   9.480   9.480
  122    HE1  PHE  14           HE2      PHE  14  -1.110   8.440   8.440
  123    HE2  PHE  14           HE1      PHE  14  -5.244   9.559   9.559
  124    HZ   PHE  14           HZ       PHE  14  -3.153   9.022   9.022
  125    H    HIS  15           H        HIS  15  -3.133  10.723  10.723
  126    HA   HIS  15           HA       HIS  15  -4.576  13.012  13.012
  127   1HB   HIS  15          2HB       HIS  15  -4.678  12.314  12.314
  128   2HB   HIS  15          1HB       HIS  15  -2.924  12.216  12.216
  129    HD1  HIS  15           HD1      HIS  15  -5.743  14.738  14.738
  130    HD2  HIS  15           HD2      HIS  15  -1.678  14.617  14.617
  131    HE1  HIS  15           HE1      HIS  15  -5.168  16.994  16.994
  132    H    GLN  16           H        GLN  16  -1.090  12.763  12.763
  133    HA   GLN  16           HA       GLN  16  -0.491  15.542  15.542
  134   1HB   GLN  16          2HB       GLN  16   1.135  12.979  12.979
  135   2HB   GLN  16          1HB       GLN  16   1.830  14.602  14.602
  136   1HG   GLN  16          2HG       GLN  16   0.384  14.919  14.919
  137   2HG   GLN  16          1HG       GLN  16   0.510  13.159  13.159
  138   1HE2  GLN  16          2HE2      GLN  16   3.961  13.165  13.165
  139   2HE2  GLN  16          1HE2      GLN  16   2.631  12.220  12.220
  140    H    TYR  17           H        TYR  17   0.626  12.772  12.772
  141    HA   TYR  17           HA       TYR  17   1.269  14.001  14.001
  142   1HB   TYR  17          2HB       TYR  17  -0.131  11.364  11.364
  143   2HB   TYR  17          1HB       TYR  17   0.643  11.786  11.786
  144    HD1  TYR  17           HD1      TYR  17   3.086  12.132  12.132
  145    HD2  TYR  17           HD2      TYR  17   1.172  10.847  10.847
  146    HE1  TYR  17           HE1      TYR  17   5.281  11.463  11.463
  147    HE2  TYR  17           HE2      TYR  17   3.363  10.166  10.166
  148    HH   TYR  17           HH       TYR  17   5.992  11.104  11.104
  149    H    SER  18           H        SER  18  -1.645  12.091  12.091
  150    HA   SER  18           HA       SER  18  -2.868  13.425  13.425
  151   1HB   SER  18          2HB       SER  18  -5.031  12.767  12.767
  152   2HB   SER  18          1HB       SER  18  -4.094  11.589  11.589
  153    HG   SER  18           HG       SER  18  -3.830  12.322  12.322
  154    H    GLY  19           H        GLY  19  -2.630  14.666  14.666
  155   1HA   GLY  19          2HA       GLY  19  -3.753  17.219  17.219
  156   2HA   GLY  19          1HA       GLY  19  -4.648  16.440  16.440
  157    H    ARG  20           H        ARG  20  -1.423  17.719  17.719
  158    HA   ARG  20           HA       ARG  20  -0.931  18.094  18.094
  159   1HB   ARG  20          2HB       ARG  20   1.507  18.310  18.310
  160   2HB   ARG  20          1HB       ARG  20   0.787  16.714  16.714
  161   1HG   ARG  20          2HG       ARG  20   0.129  16.711  16.711
  162   2HG   ARG  20          1HG       ARG  20   0.748  18.350  18.350
  163   1HD   ARG  20          2HD       ARG  20   2.432  15.950  15.950
  164   2HD   ARG  20          1HD       ARG  20   2.395  16.674  16.674
  165    HE   ARG  20           HE       ARG  20   3.767  17.784  17.784
  166   1HH1  ARG  20          1HH2      ARG  20   2.027  18.474  18.474
  167   2HH1  ARG  20          2HH2      ARG  20   2.679  20.068  20.068
  168   1HH2  ARG  20          2HH1      ARG  20   4.580  19.884  19.884
  169   2HH2  ARG  20          1HH1      ARG  20   4.123  20.867  20.867
  170    H    GLU  21           H        GLU  21  -0.748  19.624  19.624
  171    HA   GLU  21           HA       GLU  21  -0.757  22.282  22.282
  172   1HB   GLU  21          2HB       GLU  21   1.418  21.067  21.067
  173   2HB   GLU  21          1HB       GLU  21   0.807  22.289  22.289
  174   1HG   GLU  21          2HG       GLU  21   1.236  24.042  24.042
  175   2HG   GLU  21          1HG       GLU  21   1.135  23.009  23.009
  176    H    GLY  22           H        GLY  22  -1.280  20.434  20.434
  177   1HA   GLY  22          2HA       GLY  22  -3.472  22.322  22.322
  178   2HA   GLY  22          1HA       GLY  22  -2.247  21.970  21.970
  179    H    ASP  23           H        ASP  23  -3.600  20.856  20.856
  180    HA   ASP  23           HA       ASP  23  -4.937  19.067  19.067
  181   1HB   ASP  23          2HB       ASP  23  -3.156  17.720  17.720
  182   2HB   ASP  23          1HB       ASP  23  -3.995  16.894  16.894
  183    H    LYS  24           H        LYS  24  -5.830  16.753  16.753
  184    HA   LYS  24           HA       LYS  24  -7.392  17.765  17.765
  185   1HB   LYS  24          2HB       LYS  24  -8.309  17.236  17.236
  186   2HB   LYS  24          1HB       LYS  24  -9.212  16.307  16.307
  187   1HG   LYS  24          2HG       LYS  24 -10.367  18.153  18.153
  188   2HG   LYS  24          1HG       LYS  24  -8.865  18.946  18.946
  189   1HD   LYS  24          2HD       LYS  24  -8.604  19.989  19.989
  190   2HD   LYS  24          1HD       LYS  24  -9.566  18.777  18.777
  191   1HE   LYS  24          2HE       LYS  24 -10.977  20.378  20.378
  192   2HE   LYS  24          1HE       LYS  24 -10.567  21.205  21.205
  193   1HZ   LYS  24          2HZ       LYS  24 -11.532  18.518  18.518
  194   2HZ   LYS  24          1HZ       LYS  24 -12.685  19.544  19.544
  195   3HZ   LYS  24          3HZ       LYS  24 -11.994  19.952  19.952
  196    H    HIS  25           H        HIS  25  -7.690  14.869  14.869
  197    HA   HIS  25           HA       HIS  25  -6.631  13.183  13.183
  198   1HB   HIS  25          2HB       HIS  25  -9.367  13.296  13.296
  199   2HB   HIS  25          1HB       HIS  25  -8.740  11.712  11.712
  200    HD1  HIS  25           HD1      HIS  25 -10.929  13.887  13.887
  201    HD2  HIS  25           HD2      HIS  25  -7.286  12.433  12.433
  202    HE1  HIS  25           HE1      HIS  25 -10.979  14.158  14.158
  203    H    LYS  26           H        LYS  26  -4.968  13.477  13.477
  204    HA   LYS  26           HA       LYS  26  -5.176  10.973  10.973
  205   1HB   LYS  26          2HB       LYS  26  -6.274  12.978  12.978
  206   2HB   LYS  26          1HB       LYS  26  -4.643  13.637  13.637
  207   1HG   LYS  26          2HG       LYS  26  -4.745  10.836  10.836
  208   2HG   LYS  26          1HG       LYS  26  -5.854  11.825  11.825
  209   1HD   LYS  26          2HD       LYS  26  -4.118  13.259  13.259
  210   2HD   LYS  26          1HD       LYS  26  -3.002  12.684  12.684
  211   1HE   LYS  26          2HE       LYS  26  -2.293  11.588  11.588
  212   2HE   LYS  26          1HE       LYS  26  -3.251  10.361  10.361
  213   1HZ   LYS  26          3HZ       LYS  26  -5.211  11.127  11.127
  214   2HZ   LYS  26          2HZ       LYS  26  -4.241  12.218  12.218
  215   3HZ   LYS  26          1HZ       LYS  26  -4.008  10.544  10.544
  216    H    LEU  27           H        LEU  27  -3.047  10.767  10.767
  217    HA   LEU  27           HA       LEU  27  -0.741  12.122  12.122
  218   1HB   LEU  27          2HB       LEU  27  -1.677   9.586   9.586
  219   2HB   LEU  27          1HB       LEU  27  -0.350   9.246   9.246
  220    HG   LEU  27           HG       LEU  27   0.870  11.104  11.104
  221   1HD1  LEU  27          2HD1      LEU  27  -1.561  10.505  10.505
  222   2HD1  LEU  27          1HD1      LEU  27  -0.120  10.173  10.173
  223   3HD1  LEU  27          3HD1      LEU  27  -0.375  11.778  11.778
  224   1HD2  LEU  27          1HD2      LEU  27   0.778   8.252   8.252
  225   2HD2  LEU  27          3HD2      LEU  27   2.127   9.292   9.292
  226   3HD2  LEU  27          2HD2      LEU  27   0.967   8.774   8.774
  227    H    LYS  28           H        LYS  28   0.804  12.642  12.642
  228    HA   LYS  28           HA       LYS  28   0.569  11.328  11.328
  229   1HB   LYS  28          2HB       LYS  28   1.523  14.090  14.090
  230   2HB   LYS  28          1HB       LYS  28   1.441  13.500  13.500
  231   1HG   LYS  28          2HG       LYS  28  -0.894  13.495  13.495
  232   2HG   LYS  28          1HG       LYS  28  -1.011  13.405  13.405
  233   1HD   LYS  28          2HD       LYS  28  -0.093  15.715  15.715
  234   2HD   LYS  28          1HD       LYS  28  -0.090  15.802  15.802
  235   1HE   LYS  28          2HE       LYS  28  -2.478  15.659  15.659
  236   2HE   LYS  28          1HE       LYS  28  -2.592  15.193  15.193
  237   1HZ   LYS  28          2HZ       LYS  28  -1.289  17.712  17.712
  238   2HZ   LYS  28          1HZ       LYS  28  -2.960  17.638  17.638
  239   3HZ   LYS  28          3HZ       LYS  28  -1.866  17.286  17.286
  240    H    LYS  29           H        LYS  29   2.664  11.158  11.158
  241    HA   LYS  29           HA       LYS  29   4.706   9.771   9.771
  242   1HB   LYS  29          2HB       LYS  29   4.945  11.884  11.884
  243   2HB   LYS  29          1HB       LYS  29   6.098  10.579  10.579
  244   1HG   LYS  29          2HG       LYS  29   4.856   9.223   9.223
  245   2HG   LYS  29          1HG       LYS  29   3.513   9.399   9.399
  246   1HD   LYS  29          2HD       LYS  29   3.123  11.680  11.680
  247   2HD   LYS  29          1HD       LYS  29   4.079  10.945  10.945
  248   1HE   LYS  29          2HE       LYS  29   2.525   9.061   9.061
  249   2HE   LYS  29          1HE       LYS  29   1.594   9.698   9.698
  250   1HZ   LYS  29          2HZ       LYS  29   2.021  11.749  11.749
  251   2HZ   LYS  29          1HZ       LYS  29   1.342  10.406  10.406
  252   3HZ   LYS  29          3HZ       LYS  29   0.549  11.096  11.096
  253    H    SER  30           H        SER  30   4.425  13.324  13.324
  254    HA   SER  30           HA       SER  30   6.925  13.971  13.971
  255   1HB   SER  30          2HB       SER  30   4.241  15.303  15.303
  256   2HB   SER  30          1HB       SER  30   5.521  16.104  16.104
  257    HG   SER  30           HG       SER  30   5.206  15.975  15.975
  258    H    GLU  31           H        GLU  31   3.631  13.847  13.847
  259    HA   GLU  31           HA       GLU  31   4.513  14.184  14.184
  260   1HB   GLU  31          2HB       GLU  31   2.089  13.529  13.529
  261   2HB   GLU  31          1HB       GLU  31   2.136  12.744  12.744
  262   1HG   GLU  31          2HG       GLU  31   1.931  14.713  14.713
  263   2HG   GLU  31          1HG       GLU  31   2.970  15.579  15.579
  264    H    LEU  32           H        LEU  32   4.039  11.369  11.369
  265    HA   LEU  32           HA       LEU  32   4.317   9.311   9.311
  266   1HB   LEU  32          2HB       LEU  32   3.520   9.124   9.124
  267   2HB   LEU  32          1HB       LEU  32   5.178   9.371   9.371
  268    HG   LEU  32           HG       LEU  32   4.318   6.931   6.931
  269   1HD1  LEU  32          2HD1      LEU  32   6.866   8.161   8.161
  270   2HD1  LEU  32          1HD1      LEU  32   6.694   6.709   6.709
  271   3HD1  LEU  32          3HD1      LEU  32   6.528   6.609   6.609
  272   1HD2  LEU  32          1HD2      LEU  32   3.412   7.487   7.487
  273   2HD2  LEU  32          3HD2      LEU  32   4.233   5.944   5.944
  274   3HD2  LEU  32          2HD2      LEU  32   5.086   7.289   7.289
  275    H    LYS  33           H        LYS  33   6.702  11.131  11.131
  276    HA   LYS  33           HA       LYS  33   9.042   9.688   9.688
  277   1HB   LYS  33          2HB       LYS  33   8.934  11.404  11.404
  278   2HB   LYS  33          1HB       LYS  33   8.599  12.644  12.644
  279   1HG   LYS  33          2HG       LYS  33  11.040  12.423  12.423
  280   2HG   LYS  33          1HG       LYS  33  10.769  12.472  12.472
  281   1HD   LYS  33          2HD       LYS  33  11.200  10.194  10.194
  282   2HD   LYS  33          1HD       LYS  33  10.812   9.817   9.817
  283   1HE   LYS  33          2HE       LYS  33  13.276  11.314  11.314
  284   2HE   LYS  33          1HE       LYS  33  13.239   9.678   9.678
  285   1HZ   LYS  33          2HZ       LYS  33  11.866  11.036  11.036
  286   2HZ   LYS  33          1HZ       LYS  33  12.946  12.245  12.245
  287   3HZ   LYS  33          3HZ       LYS  33  13.542  10.776  10.776
  288    H    GLU  34           H        GLU  34   7.764  12.730  12.730
  289    HA   GLU  34           HA       GLU  34   9.418  12.974  12.974
  290   1HB   GLU  34          2HB       GLU  34   6.811  13.826  13.826
  291   2HB   GLU  34          1HB       GLU  34   6.735  13.469  13.469
  292   1HG   GLU  34          2HG       GLU  34   7.950  15.300  15.300
  293   2HG   GLU  34          1HG       GLU  34   9.165  14.922  14.922
  294    H    LEU  35           H        LEU  35   6.413  11.060  11.060
  295    HA   LEU  35           HA       LEU  35   6.262   9.944   9.944
  296   1HB   LEU  35          2HB       LEU  35   4.922   9.687   9.687
  297   2HB   LEU  35          1HB       LEU  35   5.857   8.202   8.202
  298    HG   LEU  35           HG       LEU  35   4.692   8.667   8.667
  299   1HD1  LEU  35          1HD1      LEU  35   2.953   9.603   9.603
  300   2HD1  LEU  35          3HD1      LEU  35   2.820   7.974   7.974
  301   3HD1  LEU  35          2HD1      LEU  35   2.403   8.283   8.283
  302   1HD2  LEU  35          3HD2      LEU  35   5.778   6.568   6.568
  303   2HD2  LEU  35          2HD2      LEU  35   4.647   6.375   6.375
  304   3HD2  LEU  35          1HD2      LEU  35   4.068   6.273   6.273
  305    H    ILE  36           H        ILE  36   8.409   8.942   8.942
  306    HA   ILE  36           HA       ILE  36   9.497   6.684   6.684
  307    HB   ILE  36           HB       ILE  36  11.034   7.923   7.923
  308   1HG1  ILE  36          2HG1      ILE  36   8.878   8.348   8.348
  309   2HG1  ILE  36          1HG1      ILE  36   9.401   6.817   6.817
  310   1HG2  ILE  36          3HG2      ILE  36  10.183   5.192   5.192
  311   2HG2  ILE  36          2HG2      ILE  36  10.837   5.447   5.447
  312   3HG2  ILE  36          1HG2      ILE  36  11.812   5.837   5.837
  313   1HD1  ILE  36          2HD1      ILE  36   8.158   6.013   6.013
  314   2HD1  ILE  36          1HD1      ILE  36   7.167   7.369   7.369
  315   3HD1  ILE  36          3HD1      ILE  36   7.420   6.009   6.009
  316    H    ASN  37           H        ASN  37  10.543   9.977   9.977
  317    HA   ASN  37           HA       ASN  37  13.084   9.828   9.828
  318   1HB   ASN  37          2HB       ASN  37  13.154  11.511  11.511
  319   2HB   ASN  37          1HB       ASN  37  11.406  11.707  11.707
  320   1HD2  ASN  37          2HD2      ASN  37  11.894  14.788  14.788
  321   2HD2  ASN  37          1HD2      ASN  37  11.244  13.974  13.974
  322    H    ASN  38           H        ASN  38   9.818  10.764  10.764
  323    HA   ASN  38           HA       ASN  38  10.627  12.008  12.008
  324   1HB   ASN  38          2HB       ASN  38   8.246  11.479  11.479
  325   2HB   ASN  38          1HB       ASN  38   7.958  11.100  11.100
  326   1HD2  ASN  38          2HD2      ASN  38   8.286  14.965  14.965
  327   2HD2  ASN  38          1HD2      ASN  38   8.329  13.693  13.693
  328    H    GLU  39           H        GLU  39  10.535   8.800   8.800
  329    HA   GLU  39           HA       GLU  39  10.332   7.753   7.753
  330   1HB   GLU  39          2HB       GLU  39   9.240   5.839   5.839
  331   2HB   GLU  39          1HB       GLU  39   8.457   7.257   7.257
  332   1HG   GLU  39          2HG       GLU  39   9.851   7.054   7.054
  333   2HG   GLU  39          1HG       GLU  39  10.640   5.634   5.634
  334    H    LEU  40           H        LEU  40  11.790   7.307   7.307
  335    HA   LEU  40           HA       LEU  40  13.990   5.735   5.735
  336   1HB   LEU  40          2HB       LEU  40  12.749   5.863   5.863
  337   2HB   LEU  40          1HB       LEU  40  14.329   5.118   5.118
  338    HG   LEU  40           HG       LEU  40  12.476   4.189   4.189
  339   1HD1  LEU  40          3HD1      LEU  40  11.188   4.742   4.742
  340   2HD1  LEU  40          2HD1      LEU  40  11.554   3.018   3.018
  341   3HD1  LEU  40          1HD1      LEU  40  10.612   3.650   3.650
  342   1HD2  LEU  40          3HD2      LEU  40  14.578   3.253   3.253
  343   2HD2  LEU  40          2HD2      LEU  40  13.865   2.443   2.443
  344   3HD2  LEU  40          1HD2      LEU  40  13.191   2.183   2.183
  345    H    SER  41           H        SER  41  14.725   8.071   8.071
  346    HA   SER  41           HA       SER  41  15.548  10.123  10.123
  347   1HB   SER  41          2HB       SER  41  16.074  10.369  10.369
  348   2HB   SER  41          1HB       SER  41  16.718   8.735   8.735
  349    HG   SER  41           HG       SER  41  18.610   9.458   9.458
  350    H    HIS  42           H        HIS  42  16.894   6.879   6.879
  351    HA   HIS  42           HA       HIS  42  19.342   7.294   7.294
  352   1HB   HIS  42          2HB       HIS  42  18.049   5.215   5.215
  353   2HB   HIS  42          1HB       HIS  42  17.717   4.855   4.855
  354    HD1  HIS  42           HD1      HIS  42  20.370   4.712   4.712
  355    HD2  HIS  42           HD2      HIS  42  20.160   4.589   4.589
  356    HE1  HIS  42           HE1      HIS  42  22.606   3.839   3.839
  357    H    PHE  43           H        PHE  43  16.012   6.772   6.772
  358    HA   PHE  43           HA       PHE  43  16.645   6.618   6.618
  359   1HB   PHE  43          2HB       PHE  43  14.249   7.109   7.109
  360   2HB   PHE  43          1HB       PHE  43  14.118   7.522   7.522
  361    HD1  PHE  43           HD1      PHE  43  15.879   4.759   4.759
  362    HD2  PHE  43           HD2      PHE  43  12.984   5.870   5.870
  363    HE1  PHE  43           HE1      PHE  43  15.535   2.364   2.364
  364    HE2  PHE  43           HE2      PHE  43  12.651   3.479   3.479
  365    HZ   PHE  43           HZ       PHE  43  13.924   1.726   1.726
  366    H    LEU  44           H        LEU  44  16.503   9.265   9.265
  367    HA   LEU  44           HA       LEU  44  15.866  11.472  11.472
  368   1HB   LEU  44          2HB       LEU  44  16.626  11.165  11.165
  369   2HB   LEU  44          1HB       LEU  44  18.225  11.527  11.527
  370    HG   LEU  44           HG       LEU  44  17.399  13.627  13.627
  371   1HD1  LEU  44          3HD1      LEU  44  14.864  12.318  12.318
  372   2HD1  LEU  44          2HD1      LEU  44  14.861  13.888  13.888
  373   3HD1  LEU  44          1HD1      LEU  44  15.210  13.780  13.780
  374   1HD2  LEU  44          2HD2      LEU  44  17.960  13.232  13.232
  375   2HD2  LEU  44          1HD2      LEU  44  17.366  14.793  14.793
  376   3HD2  LEU  44          3HD2      LEU  44  16.258  13.653  13.653
  377    H    GLU  45           H        GLU  45  18.816   9.594   9.594
  378    HA   GLU  45           HA       GLU  45  20.282  11.140  11.140
  379   1HB   GLU  45          2HB       GLU  45  20.745   9.294   9.294
  380   2HB   GLU  45          1HB       GLU  45  21.499   8.658   8.658
  381   1HG   GLU  45          2HG       GLU  45  23.082  10.109  10.109
  382   2HG   GLU  45          1HG       GLU  45  22.627  10.845  10.845
  383    H    GLU  46           H        GLU  46  18.361   8.241   8.241
  384    HA   GLU  46           HA       GLU  46  17.523   6.715   6.715
  385   1HB   GLU  46          2HB       GLU  46  17.386   9.201   9.201
  386   2HB   GLU  46          1HB       GLU  46  18.495   8.512   8.512
  387   1HG   GLU  46          2HG       GLU  46  16.934   6.906   6.906
  388   2HG   GLU  46          1HG       GLU  46  15.972   7.054   7.054
  389    H    ILE  47           H        ILE  47  20.278   8.157   8.157
  390    HA   ILE  47           HA       ILE  47  21.348   6.105   6.105
  391    HB   ILE  47           HB       ILE  47  22.198   8.497   8.497
  392   1HG1  ILE  47          2HG1      ILE  47  23.263   7.112   7.112
  393   2HG1  ILE  47          1HG1      ILE  47  24.513   7.875   7.875
  394   1HG2  ILE  47          2HG2      ILE  47  23.714   6.795   6.795
  395   2HG2  ILE  47          1HG2      ILE  47  24.092   8.476   8.476
  396   3HG2  ILE  47          3HG2      ILE  47  22.559   8.068   8.068
  397   1HD1  ILE  47          1HD1      ILE  47  24.318   5.676   5.676
  398   2HD1  ILE  47          3HD1      ILE  47  23.622   5.007   5.007
  399   3HD1  ILE  47          2HD1      ILE  47  25.258   5.665   5.665
  400    H    LYS  48           H        LYS  48  21.485   6.372   6.372
  401    HA   LYS  48           HA       LYS  48  23.355   4.505   4.505
  402   1HB   LYS  48          2HB       LYS  48  20.500   4.761   4.761
  403   2HB   LYS  48          1HB       LYS  48  21.874   4.159   4.159
  404   1HG   LYS  48          2HG       LYS  48  22.065   6.890   6.890
  405   2HG   LYS  48          1HG       LYS  48  21.102   6.684   6.684
  406   1HD   LYS  48          2HD       LYS  48  23.245   5.342   5.342
  407   2HD   LYS  48          1HD       LYS  48  24.039   6.363   6.363
  408   1HE   LYS  48          2HE       LYS  48  23.977   8.122   8.122
  409   2HE   LYS  48          1HE       LYS  48  22.212   7.972   7.972
  410   1HZ   LYS  48          1HZ       LYS  48  24.076   6.140   6.140
  411   2HZ   LYS  48          3HZ       LYS  48  23.520   7.575   7.575
  412   3HZ   LYS  48          2HZ       LYS  48  22.414   6.360   6.360
  413    H    GLU  49           H        GLU  49  20.407   3.934   3.934
  414    HA   GLU  49           HA       GLU  49  21.040   1.012   1.012
  415   1HB   GLU  49          2HB       GLU  49  18.431   0.799   0.799
  416   2HB   GLU  49          1HB       GLU  49  19.315   1.094   1.094
  417   1HG   GLU  49          2HG       GLU  49  18.737   3.390   3.390
  418   2HG   GLU  49          1HG       GLU  49  18.251   3.372   3.372
  419    H    GLN  50           H        GLN  50  21.837   1.412   1.412
  420    HA   GLN  50           HA       GLN  50  20.554   2.801   2.801
  421   1HB   GLN  50          2HB       GLN  50  22.401   0.463   0.463
  422   2HB   GLN  50          1HB       GLN  50  21.724   0.800   0.800
  423   1HG   GLN  50          2HG       GLN  50  22.634   3.238   3.238
  424   2HG   GLN  50          1HG       GLN  50  23.938   2.060   2.060
  425   1HE2  GLN  50          2HE2      GLN  50  22.119   3.249   3.249
  426   2HE2  GLN  50          1HE2      GLN  50  21.176   3.086   3.086
  427    H    GLU  51           H        GLU  51  20.468  -0.776  -0.776
  428    HA   GLU  51           HA       GLU  51  18.409  -1.344  -1.344
  429   1HB   GLU  51          2HB       GLU  51  19.772  -2.916  -2.916
  430   2HB   GLU  51          1HB       GLU  51  18.685  -2.546  -2.546
  431   1HG   GLU  51          2HG       GLU  51  16.766  -3.235  -3.235
  432   2HG   GLU  51          1HG       GLU  51  17.983  -3.856  -3.856
  433    H    VAL  52           H        VAL  52  17.851  -0.608  -0.608
  434    HA   VAL  52           HA       VAL  52  14.986  -0.538  -0.538
  435    HB   VAL  52           HB       VAL  52  16.658   0.922   0.922
  436   1HG1  VAL  52          2HG1      VAL  52  13.910   0.559   0.559
  437   2HG1  VAL  52          1HG1      VAL  52  14.357  -0.677  -0.677
  438   3HG1  VAL  52          3HG1      VAL  52  14.719   1.018   1.018
  439   1HG2  VAL  52          1HG2      VAL  52  16.358  -1.998  -1.998
  440   2HG2  VAL  52          3HG2      VAL  52  17.721  -1.124  -1.124
  441   3HG2  VAL  52          2HG2      VAL  52  16.303  -1.484  -1.484
  442    H    VAL  53           H        VAL  53  17.445   2.070   2.070
  443    HA   VAL  53           HA       VAL  53  15.802   4.321   4.321
  444    HB   VAL  53           HB       VAL  53  18.515   3.511   3.511
  445   1HG1  VAL  53          1HG1      VAL  53  17.049   6.099   6.099
  446   2HG1  VAL  53          3HG1      VAL  53  18.802   5.939   5.939
  447   3HG1  VAL  53          2HG1      VAL  53  17.757   4.983   4.983
  448   1HG2  VAL  53          2HG2      VAL  53  17.420   4.787   4.787
  449   2HG2  VAL  53          1HG2      VAL  53  19.087   4.307   4.307
  450   3HG2  VAL  53          3HG2      VAL  53  18.523   5.902   5.902
  451    H    ASP  54           H        ASP  54  16.712   1.856   1.856
  452    HA   ASP  54           HA       ASP  54  15.478   3.167   3.167
  453   1HB   ASP  54          2HB       ASP  54  17.309   1.766   1.766
  454   2HB   ASP  54          1HB       ASP  54  16.778   0.535   0.535
  455    H    LYS  55           H        LYS  55  14.666   0.640   0.640
  456    HA   LYS  55           HA       LYS  55  12.132  -0.077  -0.077
  457   1HB   LYS  55          2HB       LYS  55  13.096  -0.586  -0.586
  458   2HB   LYS  55          1HB       LYS  55  11.950  -1.552  -1.552
  459   1HG   LYS  55          2HG       LYS  55  14.481  -1.205  -1.205
  460   2HG   LYS  55          1HG       LYS  55  14.701  -1.983  -1.983
  461   1HD   LYS  55          2HD       LYS  55  14.287  -3.658  -3.658
  462   2HD   LYS  55          1HD       LYS  55  12.928  -3.611  -3.611
  463   1HE   LYS  55          2HE       LYS  55  11.488  -2.992  -2.992
  464   2HE   LYS  55          1HE       LYS  55  12.593  -1.725  -1.725
  465   1HZ   LYS  55          2HZ       LYS  55  13.958  -3.448  -3.448
  466   2HZ   LYS  55          1HZ       LYS  55  12.849  -4.637  -4.637
  467   3HZ   LYS  55          3HZ       LYS  55  12.382  -3.458  -3.458
  468    H    VAL  56           H        VAL  56  12.891   1.373   1.373
  469    HA   VAL  56           HA       VAL  56  10.383   2.308   2.308
  470    HB   VAL  56           HB       VAL  56  13.190   3.413   3.413
  471   1HG1  VAL  56          1HG1      VAL  56  11.532   5.284   5.284
  472   2HG1  VAL  56          3HG1      VAL  56  10.727   4.395   4.395
  473   3HG1  VAL  56          2HG1      VAL  56  12.380   4.968   4.968
  474   1HG2  VAL  56          3HG2      VAL  56  12.096   1.226   1.226
  475   2HG2  VAL  56          2HG2      VAL  56  13.250   2.237   2.237
  476   3HG2  VAL  56          1HG2      VAL  56  11.520   2.426   2.426
  477    H    MET  57           H        MET  57  12.775   4.053   4.053
  478    HA   MET  57           HA       MET  57  10.952   6.250   6.250
  479   1HB   MET  57          2HB       MET  57  13.477   5.270   5.270
  480   2HB   MET  57          1HB       MET  57  12.735   6.848   6.848
  481   1HG   MET  57          2HG       MET  57  13.620   5.858   5.858
  482   2HG   MET  57          1HG       MET  57  14.648   6.828   6.828
  483   1HE   MET  57          1HE       MET  57  13.387   6.799   6.799
  484   2HE   MET  57          3HE       MET  57  13.354   8.527   8.527
  485   3HE   MET  57          2HE       MET  57  11.848   7.626   7.626
  486    H    GLU  58           H        GLU  58  11.502   3.088   3.088
  487    HA   GLU  58           HA       GLU  58  10.576   3.506   3.506
  488   1HB   GLU  58          2HB       GLU  58  11.203   1.337   1.337
  489   2HB   GLU  58          1HB       GLU  58  11.194   1.357   1.357
  490   1HG   GLU  58          2HG       GLU  58   9.664  -0.369  -0.369
  491   2HG   GLU  58          1HG       GLU  58   8.721   0.941   0.941
  492    H    THR  59           H        THR  59   8.742   2.728   2.728
  493    HA   THR  59           HA       THR  59   6.179   3.038   3.038
  494    HB   THR  59           HB       THR  59   7.013   2.308   2.308
  495    HG1  THR  59           HG1      THR  59   5.523   0.726   0.726
  496   1HG2  THR  59          2HG2      THR  59   4.363   3.050   3.050
  497   2HG2  THR  59          1HG2      THR  59   4.406   1.608   1.608
  498   3HG2  THR  59          3HG2      THR  59   4.956   3.156   3.156
  499    H    LEU  60           H        LEU  60   8.008   4.610   4.610
  500    HA   LEU  60           HA       LEU  60   6.043   6.692   6.692
  501   1HB   LEU  60          2HB       LEU  60   7.521   6.102   6.102
  502   2HB   LEU  60          1HB       LEU  60   8.932   6.165   6.165
  503    HG   LEU  60           HG       LEU  60   8.807   8.566   8.566
  504   1HD1  LEU  60          3HD1      LEU  60   6.062   8.066   8.066
  505   2HD1  LEU  60          2HD1      LEU  60   6.803   9.327   9.327
  506   3HD1  LEU  60          1HD1      LEU  60   6.753   9.495   9.495
  507   1HD2  LEU  60          2HD2      LEU  60   8.541   7.394   7.394
  508   2HD2  LEU  60          1HD2      LEU  60   9.985   8.004   8.004
  509   3HD2  LEU  60          3HD2      LEU  60   8.765   9.130   9.130
  510    H    ASP  61           H        ASP  61   9.140   6.550   6.550
  511    HA   ASP  61           HA       ASP  61   8.833   9.323   9.323
  512   1HB   ASP  61          2HB       ASP  61  10.951   7.852   7.852
  513   2HB   ASP  61          1HB       ASP  61  10.908   7.417   7.417
  514    H    SER  62           H        SER  62   7.533   6.406   6.406
  515    HA   SER  62           HA       SER  62   7.916   6.246   6.246
  516   1HB   SER  62          2HB       SER  62   6.585   4.489   4.489
  517   2HB   SER  62          1HB       SER  62   6.207   5.195   5.195
  518    HG   SER  62           HG       SER  62   4.891   5.524   5.524
  519    H    ASP  63           H        ASP  63   6.305   8.616   8.616
  520    HA   ASP  63           HA       ASP  63   4.955  10.468  10.468
  521   1HB   ASP  63          2HB       ASP  63   7.128  10.889  10.889
  522   2HB   ASP  63          1HB       ASP  63   6.517  10.057  10.057
  523    H    GLY  64           H        GLY  64   3.281   8.450   8.450
  524   1HA   GLY  64          2HA       GLY  64   1.245   9.018   9.018
  525   2HA   GLY  64          1HA       GLY  64   2.240   7.855   7.855
  526    H    ASP  65           H        ASP  65   3.087   6.301   6.301
  527    HA   ASP  65           HA       ASP  65   0.485   5.064   5.064
  528   1HB   ASP  65          2HB       ASP  65   2.588   4.070   4.070
  529   2HB   ASP  65          1HB       ASP  65   2.819   3.319   3.319
  530    H    GLY  66           H        GLY  66   2.534   7.056   7.056
  531   1HA   GLY  66          2HA       GLY  66   3.002   5.447   5.447
  532   2HA   GLY  66          1HA       GLY  66   3.971   6.853   6.853
  533    H    GLU  67           H        GLU  67   0.576   7.059   7.059
  534    HA   GLU  67           HA       GLU  67   0.328   9.205   9.205
  535   1HB   GLU  67          2HB       GLU  67  -1.743   9.595   9.595
  536   2HB   GLU  67          1HB       GLU  67  -0.511   9.240   9.240
  537   1HG   GLU  67          2HG       GLU  67  -1.350   6.745   6.745
  538   2HG   GLU  67          1HG       GLU  67  -2.828   7.576   7.576
  539    H    CYS  68           H        CYS  68  -0.456   8.724   8.724
  540    HA   CYS  68           HA       CYS  68  -2.142   6.261   6.261
  541   1HB   CYS  68          2HB       CYS  68   0.213   7.235   7.235
  542   2HB   CYS  68          1HB       CYS  68  -0.798   5.864   5.864
  543    HG   CYS  68           HG       CYS  68   0.694   4.532   4.532
  544    H    ASP  69           H        ASP  69  -3.403   6.210   6.210
  545    HA   ASP  69           HA       ASP  69  -3.913   8.830   8.830
  546   1HB   ASP  69          2HB       ASP  69  -5.962   6.809   6.809
  547   2HB   ASP  69          1HB       ASP  69  -6.306   8.366   8.366
  548    H    PHE  70           H        PHE  70  -5.516   8.141   8.141
  549    HA   PHE  70           HA       PHE  70  -4.519   7.023   7.023
  550   1HB   PHE  70          2HB       PHE  70  -7.085   6.381   6.381
  551   2HB   PHE  70          1HB       PHE  70  -6.703   5.514   5.514
  552    HD1  PHE  70           HD2      PHE  70  -6.242   6.818   6.818
  553    HD2  PHE  70           HD1      PHE  70  -7.762   8.677   8.677
  554    HE1  PHE  70           HE2      PHE  70  -7.007   8.743   8.743
  555    HE2  PHE  70           HE1      PHE  70  -8.511  10.624  10.624
  556    HZ   PHE  70           HZ       PHE  70  -8.115  10.653  10.653
  557    H    GLN  71           H        GLN  71  -5.665   4.715   4.715
  558    HA   GLN  71           HA       GLN  71  -4.307   2.451   2.451
  559   1HB   GLN  71          2HB       GLN  71  -6.251   1.772   1.772
  560   2HB   GLN  71          1HB       GLN  71  -6.163   3.053   3.053
  561   1HG   GLN  71          2HG       GLN  71  -4.874   1.793   1.793
  562   2HG   GLN  71          1HG       GLN  71  -4.147   0.847   0.847
  563   1HE2  GLN  71          2HE2      GLN  71  -6.415  -1.629  -1.629
  564   2HE2  GLN  71          1HE2      GLN  71  -4.837  -1.019  -1.019
  565    H    GLU  72           H        GLU  72  -4.061   3.419   3.419
  566    HA   GLU  72           HA       GLU  72  -1.727   2.165   2.165
  567   1HB   GLU  72          2HB       GLU  72  -2.298   5.044   5.044
  568   2HB   GLU  72          1HB       GLU  72  -1.482   3.860   3.860
  569   1HG   GLU  72          2HG       GLU  72  -3.477   3.348   3.348
  570   2HG   GLU  72          1HG       GLU  72  -3.970   2.709   2.709
  571    H    PHE  73           H        PHE  73  -1.951   5.105   5.105
  572    HA   PHE  73           HA       PHE  73   0.716   5.944   5.944
  573   1HB   PHE  73          2HB       PHE  73  -0.415   7.354   7.354
  574   2HB   PHE  73          1HB       PHE  73  -1.659   6.163   6.163
  575    HD1  PHE  73           HD2      PHE  73   2.019   6.311   6.311
  576    HD2  PHE  73           HD1      PHE  73  -2.046   6.055   6.055
  577    HE1  PHE  73           HE2      PHE  73   2.811   6.045   6.045
  578    HE2  PHE  73           HE1      PHE  73  -1.242   5.789   5.789
  579    HZ   PHE  73           HZ       PHE  73   1.186   5.784   5.784
  580    H    MET  74           H        MET  74  -0.505   3.911   3.911
  581    HA   MET  74           HA       MET  74   2.138   3.049   3.049
  582   1HB   MET  74          2HB       MET  74   0.727   1.098   1.098
  583   2HB   MET  74          1HB       MET  74   0.568   2.735   2.735
  584   1HG   MET  74          2HG       MET  74  -1.491   3.075   3.075
  585   2HG   MET  74          1HG       MET  74  -1.270   1.599   1.599
  586   1HE   MET  74          3HE       MET  74  -0.951   2.761   2.761
  587   2HE   MET  74          2HE       MET  74  -1.406   1.310   1.310
  588   3HE   MET  74          1HE       MET  74   0.035   1.298   1.298
  589    H    ALA  75           H        ALA  75  -0.204   1.924   1.924
  590    HA   ALA  75           HA       ALA  75   0.639  -0.657  -0.657
  591   1HB   ALA  75          2HB       ALA  75  -1.055   1.094   1.094
  592   2HB   ALA  75          1HB       ALA  75   0.270   1.361   1.361
  593   3HB   ALA  75          3HB       ALA  75  -0.442  -0.245  -0.245
  594    H    PHE  76           H        PHE  76   2.009   2.266   2.266
  595    HA   PHE  76           HA       PHE  76   4.256   0.891   0.891
  596   1HB   PHE  76          2HB       PHE  76   3.473   2.971   2.971
  597   2HB   PHE  76          1HB       PHE  76   3.631   3.800   3.800
  598    HD1  PHE  76           HD1      PHE  76   5.591   2.053   2.053
  599    HD2  PHE  76           HD2      PHE  76   5.676   4.803   4.803
  600    HE1  PHE  76           HE1      PHE  76   7.935   2.639   2.639
  601    HE2  PHE  76           HE2      PHE  76   8.023   5.388   5.388
  602    HZ   PHE  76           HZ       PHE  76   9.150   4.306   4.306
  603    H    VAL  77           H        VAL  77   3.787   2.840   2.840
  604    HA   VAL  77           HA       VAL  77   6.389   3.008   3.008
  605    HB   VAL  77           HB       VAL  77   3.825   3.397   3.397
  606   1HG1  VAL  77          2HG1      VAL  77   4.095   0.873   0.873
  607   2HG1  VAL  77          1HG1      VAL  77   5.052   1.598   1.598
  608   3HG1  VAL  77          3HG1      VAL  77   3.365   2.062   2.062
  609   1HG2  VAL  77          3HG2      VAL  77   5.889   4.687   4.687
  610   2HG2  VAL  77          2HG2      VAL  77   4.931   4.363   4.363
  611   3HG2  VAL  77          1HG2      VAL  77   6.385   3.418   3.418
  612    H    ALA  78           H        ALA  78   4.298   0.177   0.177
  613    HA   ALA  78           HA       ALA  78   6.161  -1.605  -1.605
  614   1HB   ALA  78          3HB       ALA  78   3.542  -1.695  -1.695
  615   2HB   ALA  78          2HB       ALA  78   4.529  -3.085  -3.085
  616   3HB   ALA  78          1HB       ALA  78   4.194  -2.768  -2.768
  617    H    MET  79           H        MET  79   5.249  -0.949  -0.949
  618    HA   MET  79           HA       MET  79   7.064  -2.589  -2.589
  619   1HB   MET  79          2HB       MET  79   5.350  -0.632  -0.632
  620   2HB   MET  79          1HB       MET  79   6.853   0.275   0.275
  621   1HG   MET  79          2HG       MET  79   6.225  -2.359  -2.359
  622   2HG   MET  79          1HG       MET  79   6.246  -0.778  -0.778
  623   1HE   MET  79          3HE       MET  79   7.806  -0.626  -0.626
  624   2HE   MET  79          2HE       MET  79   8.459   0.620   0.620
  625   3HE   MET  79          1HE       MET  79   9.553  -0.500  -0.500
  626    H    ILE  80           H        ILE  80   7.697   0.568   0.568
  627    HA   ILE  80           HA       ILE  80  10.448   0.851   0.851
  628    HB   ILE  80           HB       ILE  80   9.374   1.344   1.344
  629   1HG1  ILE  80          2HG1      ILE  80   8.641   2.800   2.800
  630   2HG1  ILE  80          1HG1      ILE  80   7.566   2.145   2.145
  631   1HG2  ILE  80          3HG2      ILE  80  11.721   2.030   2.030
  632   2HG2  ILE  80          2HG2      ILE  80  10.784   3.520   3.520
  633   3HG2  ILE  80          1HG2      ILE  80  11.208   2.639   2.639
  634   1HD1  ILE  80          2HD1      ILE  80   8.991   3.777   3.777
  635   2HD1  ILE  80          1HD1      ILE  80   9.136   4.654   4.654
  636   3HD1  ILE  80          3HD1      ILE  80   7.543   4.310   4.310
  637    H    THR  81           H        THR  81   8.915  -0.713  -0.713
  638    HA   THR  81           HA       THR  81  11.277  -1.914  -1.914
  639    HB   THR  81           HB       THR  81   8.352  -2.717  -2.717
  640    HG1  THR  81           HG1      THR  81   8.174  -1.228  -1.228
  641   1HG2  THR  81          3HG2      THR  81  10.808  -3.614  -3.614
  642   2HG2  THR  81          2HG2      THR  81   9.340  -3.424  -3.424
  643   3HG2  THR  81          1HG2      THR  81   9.357  -4.520  -4.520
  644    H    THR  82           H        THR  82   9.312  -2.761  -2.761
  645    HA   THR  82           HA       THR  82  10.177  -5.590  -5.590
  646    HB   THR  82           HB       THR  82   8.887  -5.754  -5.754
  647    HG1  THR  82           HG1      THR  82   8.770  -4.092  -4.092
  648   1HG2  THR  82          3HG2      THR  82   7.627  -4.072  -4.072
  649   2HG2  THR  82          2HG2      THR  82   6.695  -4.696  -4.696
  650   3HG2  THR  82          1HG2      THR  82   7.483  -5.814  -5.814
  651    H    ALA  83           H        ALA  83  11.210  -2.566  -2.566
  652    HA   ALA  83           HA       ALA  83  13.111  -3.893  -3.893
  653   1HB   ALA  83          3HB       ALA  83  12.560  -0.988  -0.988
  654   2HB   ALA  83          2HB       ALA  83  13.603  -1.526  -1.526
  655   3HB   ALA  83          1HB       ALA  83  11.872  -1.855  -1.855
  656    H    CYS  84           H        CYS  84  12.985  -2.256  -2.256
  657    HA   CYS  84           HA       CYS  84  15.660  -1.599  -1.599
  658   1HB   CYS  84          2HB       CYS  84  13.895  -1.048  -1.048
  659   2HB   CYS  84          1HB       CYS  84  13.423  -2.742  -2.742
  660    HG   CYS  84           HG       CYS  84  16.292  -2.133  -2.133
  661    H    HIS  85           H        HIS  85  14.561  -4.342  -4.342
  662    HA   HIS  85           HA       HIS  85  16.826  -5.977  -5.977
  663   1HB   HIS  85          2HB       HIS  85  15.717  -5.828  -5.828
  664   2HB   HIS  85          1HB       HIS  85  17.116  -6.769  -6.769
  665    HD1  HIS  85           HD1      HIS  85  17.054  -4.259  -4.259
  666    HD2  HIS  85           HD2      HIS  85  18.417  -4.236  -4.236
  667    HE1  HIS  85           HE1      HIS  85  18.666  -2.315  -2.315
  668    H    GLU  86           H        GLU  86  14.238  -6.128  -6.128
  669    HA   GLU  86           HA       GLU  86  12.693  -7.810  -7.810
  670   1HB   GLU  86          2HB       GLU  86  14.959  -9.103  -9.103
  671   2HB   GLU  86          1HB       GLU  86  13.483  -9.949  -9.949
  672   1HG   GLU  86          2HG       GLU  86  13.950  -9.158  -9.158
  673   2HG   GLU  86          1HG       GLU  86  14.655 -10.640 -10.640
  674    H    PHE  87           H        PHE  87  12.448  -6.016  -6.016
  675    HA   PHE  87           HA       PHE  87  10.744  -5.695  -5.695
  676   1HB   PHE  87          2HB       PHE  87   9.751  -7.373  -7.373
  677   2HB   PHE  87          1HB       PHE  87   9.453  -8.275  -8.275
  678    HD1  PHE  87           HD2      PHE  87   8.795  -5.092  -5.092
  679    HD2  PHE  87           HD1      PHE  87   7.759  -7.551  -7.551
  680    HE1  PHE  87           HE2      PHE  87   6.748  -3.746  -3.746
  681    HE2  PHE  87           HE1      PHE  87   5.720  -6.235  -6.235
  682    HZ   PHE  87           HZ       PHE  87   5.214  -4.311  -4.311
  683    H    PHE  88           H        PHE  88  10.907  -9.249  -9.249
  684    HA   PHE  88           HA       PHE  88  11.064  -9.503  -9.503
  685   1HB   PHE  88          2HB       PHE  88  11.633 -11.492 -11.492
  686   2HB   PHE  88          1HB       PHE  88  11.201 -11.872 -11.872
  687    HD1  PHE  88           HD2      PHE  88   9.356  -9.076  -9.076
  688    HD2  PHE  88           HD1      PHE  88   9.551 -13.047 -13.047
  689    HE1  PHE  88           HE2      PHE  88   6.973  -8.886  -8.886
  690    HE2  PHE  88           HE1      PHE  88   7.168 -12.911 -12.911
  691    HZ   PHE  88           HZ       PHE  88   5.865 -10.866 -10.866
  692    H    GLU  89           H        GLU  89  13.443  -8.468  -8.468
  693    HA   GLU  89           HA       GLU  89  15.780  -8.224  -8.224
  694   1HB   GLU  89          2HB       GLU  89  14.816  -8.644  -8.644
  695   2HB   GLU  89          1HB       GLU  89  15.683 -10.167 -10.167
  696   1HG   GLU  89          2HG       GLU  89  17.305  -7.967  -7.967
  697   2HG   GLU  89          1HG       GLU  89  16.783  -7.672  -7.672
  698    H    HIS  90           H        HIS  90  14.636 -11.546 -11.546
  699    HA   HIS  90           HA       HIS  90  16.811 -12.636 -12.636
  700   1HB   HIS  90          2HB       HIS  90  14.988 -14.448 -14.448
  701   2HB   HIS  90          1HB       HIS  90  16.745 -14.465 -14.465
  702    HD1  HIS  90           HD1      HIS  90  18.053 -13.151 -13.151
  703    HD2  HIS  90           HD2      HIS  90  13.918 -12.776 -12.776
  704    HE1  HIS  90           HE1      HIS  90  17.634 -12.052 -12.052
  705    H    GLU  91           H        GLU  91  16.024 -14.650 -14.650
  706    HA   GLU  91           HA       GLU  91  13.259 -14.875 -14.875
  707   1HB   GLU  91          2HB       GLU  91  13.405 -13.689 -13.689
  708   2HB   GLU  91          1HB       GLU  91  13.769 -12.588 -12.588
  709   1HG   GLU  91          2HG       GLU  91  15.715 -12.116 -12.116
  710   2HG   GLU  91          1HG       GLU  91  16.232 -13.760 -13.760
  711   1H    MET   0          2H        MET   0   6.003   9.184   9.184
  712   2H    MET   0          1H        MET   0   6.627  10.623  10.623
  713   3H    MET   0          3H        MET   0   5.200  10.658  10.658
  714    HA   MET   0           HA       MET   0   6.310  10.824  10.824
  715   1HB   MET   0          2HB       MET   0   8.333  11.242  11.242
  716   2HB   MET   0          1HB       MET   0   8.857  11.320  11.320
  717   1HG   MET   0          2HG       MET   0   6.578  12.843  12.843
  718   2HG   MET   0          1HG       MET   0   7.199  13.211  13.211
  719   1HE   MET   0          1HE       MET   0   9.899  13.077  13.077
  720   2HE   MET   0          3HE       MET   0  10.429  12.305  12.305
  721   3HE   MET   0          2HE       MET   0  10.974  13.932  13.932
  722    H    SER   1           H        SER   1   8.573   8.926   8.926
  723    HA   SER   1           HA       SER   1   9.493   7.313   7.313
  724   1HB   SER   1          2HB       SER   1  10.920   6.413   6.413
  725   2HB   SER   1          1HB       SER   1  10.547   7.993   7.993
  726    HG   SER   1           HG       SER   1   8.971   7.007   7.007
  727    H    GLU   2           H        GLU   2   6.695   7.179   7.179
  728    HA   GLU   2           HA       GLU   2   6.143   4.488   4.488
  729   1HB   GLU   2          2HB       GLU   2   4.404   6.758   6.758
  730   2HB   GLU   2          1HB       GLU   2   3.748   5.220   5.220
  731   1HG   GLU   2          2HG       GLU   2   4.909   5.562   5.562
  732   2HG   GLU   2          1HG       GLU   2   5.457   7.139   7.139
  733    H    LEU   3           H        LEU   3   6.449   6.112   6.112
  734    HA   LEU   3           HA       LEU   3   5.013   4.084   4.084
  735   1HB   LEU   3          2HB       LEU   3   6.886   6.363   6.363
  736   2HB   LEU   3          1HB       LEU   3   6.019   5.411   5.411
  737    HG   LEU   3           HG       LEU   3   4.514   6.685   6.685
  738   1HD1  LEU   3          2HD1      LEU   3   6.025   8.095   8.095
  739   2HD1  LEU   3          1HD1      LEU   3   4.302   8.336   8.336
  740   3HD1  LEU   3          3HD1      LEU   3   5.000   8.757   8.757
  741   1HD2  LEU   3          1HD2      LEU   3   3.969   5.431   5.431
  742   2HD2  LEU   3          3HD2      LEU   3   2.985   5.446   5.446
  743   3HD2  LEU   3          2HD2      LEU   3   2.987   6.844   6.844
  744    H    GLU   4           H        GLU   4   8.419   4.759   4.759
  745    HA   GLU   4           HA       GLU   4   9.352   2.539   2.539
  746   1HB   GLU   4          2HB       GLU   4  11.575   3.290   3.290
  747   2HB   GLU   4          1HB       GLU   4  10.627   4.659   4.659
  748   1HG   GLU   4          2HG       GLU   4  10.732   5.646   5.646
  749   2HG   GLU   4          1HG       GLU   4  10.080   4.204   4.204
  750    H    LYS   5           H        LYS   5   8.535   3.217   3.217
  751    HA   LYS   5           HA       LYS   5   9.832   0.867   0.867
  752   1HB   LYS   5          2HB       LYS   5   7.485   2.489   2.489
  753   2HB   LYS   5          1HB       LYS   5   8.709   1.638   1.638
  754   1HG   LYS   5          2HG       LYS   5  10.011   3.521   3.521
  755   2HG   LYS   5          1HG       LYS   5   8.761   4.354   4.354
  756   1HD   LYS   5          2HD       LYS   5  11.036   4.235   4.235
  757   2HD   LYS   5          1HD       LYS   5   9.690   3.619   3.619
  758   1HE   LYS   5          2HE       LYS   5  10.318   1.371   1.371
  759   2HE   LYS   5          1HE       LYS   5  11.295   1.756   1.756
  760   1HZ   LYS   5          2HZ       LYS   5  11.861   2.734   2.734
  761   2HZ   LYS   5          1HZ       LYS   5  12.659   1.429   1.429
  762   3HZ   LYS   5          3HZ       LYS   5  12.817   2.991   2.991
  763    H    ALA   6           H        ALA   6   6.775   1.697   1.697
  764    HA   ALA   6           HA       ALA   6   5.404  -0.770  -0.770
  765   1HB   ALA   6          2HB       ALA   6   4.977   1.676   1.676
  766   2HB   ALA   6          1HB       ALA   6   4.168   0.241   0.241
  767   3HB   ALA   6          3HB       ALA   6   3.831   0.795   0.795
  768    H    VAL   7           H        VAL   7   7.337   0.478   0.478
  769    HA   VAL   7           HA       VAL   7   7.069  -1.525  -1.525
  770    HB   VAL   7           HB       VAL   7   9.043   0.486   0.486
  771   1HG1  VAL   7          3HG1      VAL   7   9.771  -1.874  -1.874
  772   2HG1  VAL   7          2HG1      VAL   7  10.430  -0.309  -0.309
  773   3HG1  VAL   7          1HG1      VAL   7  10.745  -0.945  -0.945
  774   1HG2  VAL   7          1HG2      VAL   7   7.228   0.060   0.060
  775   2HG2  VAL   7          3HG2      VAL   7   7.827   1.568   1.568
  776   3HG2  VAL   7          2HG2      VAL   7   8.804   0.689   0.689
  777    H    VAL   8           H        VAL   8   9.263  -1.338  -1.338
  778    HA   VAL   8           HA       VAL   8  10.497  -3.917  -3.917
  779    HB   VAL   8           HB       VAL   8  10.159  -1.865  -1.865
  780   1HG1  VAL   8          2HG1      VAL   8  10.836  -4.747  -4.747
  781   2HG1  VAL   8          1HG1      VAL   8  11.812  -3.561  -3.561
  782   3HG1  VAL   8          3HG1      VAL   8  10.066  -3.611  -3.611
  783   1HG2  VAL   8          3HG2      VAL   8  11.951  -2.034  -2.034
  784   2HG2  VAL   8          2HG2      VAL   8  12.439  -1.523  -1.523
  785   3HG2  VAL   8          1HG2      VAL   8  12.721  -3.184  -3.184
  786    H    ALA   9           H        ALA   9   7.596  -2.761  -2.761
  787    HA   ALA   9           HA       ALA   9   6.921  -5.225  -5.225
  788   1HB   ALA   9          3HB       ALA   9   6.141  -2.749  -2.749
  789   2HB   ALA   9          2HB       ALA   9   4.958  -3.137  -3.137
  790   3HB   ALA   9          1HB       ALA   9   4.969  -4.040  -4.040
  791    H    LEU  10           H        LEU  10   6.271  -3.937  -3.937
  792    HA   LEU  10           HA       LEU  10   4.194  -5.785  -5.785
  793   1HB   LEU  10          2HB       LEU  10   6.274  -5.022  -5.022
  794   2HB   LEU  10          1HB       LEU  10   4.515  -4.981  -4.981
  795    HG   LEU  10           HG       LEU  10   6.255  -2.975  -2.975
  796   1HD1  LEU  10          3HD1      LEU  10   4.389  -2.810  -2.810
  797   2HD1  LEU  10          2HD1      LEU  10   5.170  -1.419  -1.419
  798   3HD1  LEU  10          1HD1      LEU  10   6.145  -2.662  -2.662
  799   1HD2  LEU  10          1HD2      LEU  10   3.228  -3.172  -3.172
  800   2HD2  LEU  10          3HD2      LEU  10   4.207  -3.416  -3.416
  801   3HD2  LEU  10          2HD2      LEU  10   4.130  -1.823  -1.823
  802    H    ILE  11           H        ILE  11   7.629  -5.764  -5.764
  803    HA   ILE  11           HA       ILE  11   7.883  -8.236  -8.236
  804    HB   ILE  11           HB       ILE  11  10.101  -7.922  -7.922
  805   1HG1  ILE  11          2HG1      ILE  11  10.135  -6.900  -6.900
  806   2HG1  ILE  11          1HG1      ILE  11   9.825  -8.615  -8.615
  807   1HG2  ILE  11          2HG2      ILE  11   9.103  -5.621  -5.621
  808   2HG2  ILE  11          1HG2      ILE  11   9.415  -5.353  -5.353
  809   3HG2  ILE  11          3HG2      ILE  11  10.757  -5.663  -5.663
  810   1HD1  ILE  11          2HD1      ILE  11  12.110  -7.265  -7.265
  811   2HD1  ILE  11          1HD1      ILE  11  12.287  -7.854  -7.854
  812   3HD1  ILE  11          3HD1      ILE  11  11.888  -8.978  -8.978
  813    H    ASP  12           H        ASP  12   7.312  -7.573  -7.573
  814    HA   ASP  12           HA       ASP  12   7.643 -10.359 -10.359
  815   1HB   ASP  12          2HB       ASP  12   7.928  -8.249  -8.249
  816   2HB   ASP  12          1HB       ASP  12   6.190  -7.996  -7.996
  817    H    VAL  13           H        VAL  13   4.969  -8.067  -8.067
  818    HA   VAL  13           HA       VAL  13   2.811  -9.939  -9.939
  819    HB   VAL  13           HB       VAL  13   3.205  -7.226  -7.226
  820   1HG1  VAL  13          3HG1      VAL  13   1.146  -9.018  -9.018
  821   2HG1  VAL  13          2HG1      VAL  13   0.451  -7.940  -7.940
  822   3HG1  VAL  13          1HG1      VAL  13   1.129  -7.278  -7.278
  823   1HG2  VAL  13          1HG2      VAL  13   3.344  -7.501  -7.501
  824   2HG2  VAL  13          3HG2      VAL  13   2.078  -6.403  -6.403
  825   3HG2  VAL  13          2HG2      VAL  13   1.664  -8.038  -8.038
  826    H    PHE  14           H        PHE  14   3.947  -8.284  -8.284
  827    HA   PHE  14           HA       PHE  14   2.620  -9.979  -9.979
  828   1HB   PHE  14          2HB       PHE  14   4.514  -7.927  -7.927
  829   2HB   PHE  14          1HB       PHE  14   5.321  -9.348  -9.348
  830    HD1  PHE  14           HD2      PHE  14   1.717  -8.343  -8.343
  831    HD2  PHE  14           HD1      PHE  14   5.132  -9.493  -9.493
  832    HE1  PHE  14           HE2      PHE  14   0.308  -8.510  -8.510
  833    HE2  PHE  14           HE1      PHE  14   3.711  -9.666  -9.666
  834    HZ   PHE  14           HZ       PHE  14   1.291  -9.158  -9.158
  835    H    HIS  15           H        HIS  15   5.801 -10.547 -10.547
  836    HA   HIS  15           HA       HIS  15   6.634 -12.876 -12.876
  837   1HB   HIS  15          2HB       HIS  15   7.981 -12.099 -12.099
  838   2HB   HIS  15          1HB       HIS  15   6.616 -11.966 -11.966
  839    HD1  HIS  15           HD1      HIS  15   8.891 -14.533 -14.533
  840    HD2  HIS  15           HD2      HIS  15   6.038 -14.322 -14.322
  841    HE1  HIS  15           HE1      HIS  15   8.991 -16.743 -16.743
  842    H    GLN  16           H        GLN  16   4.154 -12.557 -12.557
  843    HA   GLN  16           HA       GLN  16   3.394 -15.348 -15.348
  844   1HB   GLN  16          2HB       GLN  16   1.954 -12.767 -12.767
  845   2HB   GLN  16          1HB       GLN  16   1.373 -14.381 -14.381
  846   1HG   GLN  16          2HG       GLN  16   3.812 -14.637 -14.637
  847   2HG   GLN  16          1HG       GLN  16   3.731 -12.876 -12.876
  848   1HE2  GLN  16          2HE2      GLN  16   1.348 -12.802 -12.802
  849   2HE2  GLN  16          1HE2      GLN  16   2.176 -11.893 -11.893
  850    H    TYR  17           H        TYR  17   1.352 -12.641 -12.641
  851    HA   TYR  17           HA       TYR  17  -0.506 -13.958 -13.958
  852   1HB   TYR  17          2HB       TYR  17   0.904 -11.319 -11.319
  853   2HB   TYR  17          1HB       TYR  17  -0.590 -11.789 -11.789
  854    HD1  TYR  17           HD1      TYR  17  -2.678 -12.111 -12.111
  855    HD2  TYR  17           HD2      TYR  17   0.932 -10.708 -10.708
  856    HE1  TYR  17           HE1      TYR  17  -3.978 -11.375 -11.375
  857    HE2  TYR  17           HE2      TYR  17  -0.366  -9.962  -9.962
  858    HH   TYR  17           HH       TYR  17  -2.883 -10.886 -10.886
  859    H    SER  18           H        SER  18   1.689 -12.096 -12.096
  860    HA   SER  18           HA       SER  18   1.569 -13.522 -13.522
  861   1HB   SER  18          2HB       SER  18   4.213 -12.836 -12.836
  862   2HB   SER  18          1HB       SER  18   2.908 -11.682 -11.682
  863    HG   SER  18           HG       SER  18   4.230 -12.304 -12.304
  864    H    GLY  19           H        GLY  19   3.244 -14.633 -14.633
  865   1HA   GLY  19          2HA       GLY  19   3.655 -17.238 -17.238
  866   2HA   GLY  19          1HA       GLY  19   5.122 -16.420 -16.420
  867    H    ARG  20           H        ARG  20   2.003 -17.682 -17.682
  868    HA   ARG  20           HA       ARG  20   3.253 -17.936 -17.936
  869   1HB   ARG  20          2HB       ARG  20   0.693 -18.162 -18.162
  870   2HB   ARG  20          1HB       ARG  20   1.369 -16.567 -16.567
  871   1HG   ARG  20          2HG       ARG  20   0.583 -16.673 -16.673
  872   2HG   ARG  20          1HG       ARG  20  -0.020 -18.311 -18.311
  873   1HD   ARG  20          2HD       ARG  20  -0.982 -15.854 -15.854
  874   2HD   ARG  20          1HD       ARG  20  -1.856 -16.645 -16.645
  875    HE   ARG  20           HE       ARG  20  -1.684 -17.639 -17.639
  876   1HH1  ARG  20          1HH2      ARG  20  -1.873 -18.470 -18.470
  877   2HH1  ARG  20          2HH2      ARG  20  -2.488 -20.060 -20.060
  878   1HH2  ARG  20          2HH1      ARG  20  -2.429 -19.735 -19.735
  879   2HH2  ARG  20          1HH1      ARG  20  -2.803 -20.776 -20.776
  880    H    GLU  21           H        GLU  21   1.306 -19.589 -19.589
  881    HA   GLU  21           HA       GLU  21   2.119 -22.192 -22.192
  882   1HB   GLU  21          2HB       GLU  21  -0.438 -21.002 -21.002
  883   2HB   GLU  21          1HB       GLU  21  -0.546 -22.275 -22.275
  884   1HG   GLU  21          2HG       GLU  21  -0.054 -23.964 -23.964
  885   2HG   GLU  21          1HG       GLU  21   0.818 -22.876 -22.876
  886    H    GLY  22           H        GLY  22   0.846 -20.470 -20.470
  887   1HA   GLY  22          2HA       GLY  22   2.289 -22.411 -22.411
  888   2HA   GLY  22          1HA       GLY  22   0.586 -22.088 -22.088
  889    H    ASP  23           H        ASP  23   0.874 -21.048 -21.048
  890    HA   ASP  23           HA       ASP  23   1.514 -19.318 -19.318
  891   1HB   ASP  23          2HB       ASP  23   1.190 -17.857 -17.857
  892   2HB   ASP  23          1HB       ASP  23   1.128 -17.103 -17.103
  893    H    LYS  24           H        LYS  24   2.993 -16.957 -16.957
  894    HA   LYS  24           HA       LYS  24   5.611 -17.897 -17.897
  895   1HB   LYS  24          2HB       LYS  24   4.824 -17.489 -17.489
  896   2HB   LYS  24          1HB       LYS  24   6.236 -16.528 -16.528
  897   1HG   LYS  24          2HG       LYS  24   7.523 -18.366 -18.366
  898   2HG   LYS  24          1HG       LYS  24   6.552 -19.120 -19.120
  899   1HD   LYS  24          2HD       LYS  24   5.185 -20.233 -20.233
  900   2HD   LYS  24          1HD       LYS  24   5.496 -19.069 -19.069
  901   1HE   LYS  24          2HE       LYS  24   7.848 -20.613 -20.613
  902   2HE   LYS  24          1HE       LYS  24   6.665 -21.489 -21.489
  903   1HZ   LYS  24          2HZ       LYS  24   7.229 -18.833 -18.833
  904   2HZ   LYS  24          1HZ       LYS  24   8.593 -19.846 -19.846
  905   3HZ   LYS  24          3HZ       LYS  24   7.188 -20.303 -20.303
  906    H    HIS  25           H        HIS  25   4.664 -15.088 -15.088
  907    HA   HIS  25           HA       HIS  25   5.026 -13.302 -13.302
  908   1HB   HIS  25          2HB       HIS  25   6.610 -13.497 -13.497
  909   2HB   HIS  25          1HB       HIS  25   6.329 -11.888 -11.888
  910    HD1  HIS  25           HD1      HIS  25   8.960 -14.038 -14.038
  911    HD2  HIS  25           HD2      HIS  25   6.731 -12.481 -12.481
  912    HE1  HIS  25           HE1      HIS  25  10.420 -14.215 -14.215
  913    H    LYS  26           H        LYS  26   2.534 -13.649 -13.649
  914    HA   LYS  26           HA       LYS  26   1.784 -11.214 -11.214
  915   1HB   LYS  26          2HB       LYS  26   2.048 -13.280 -13.280
  916   2HB   LYS  26          1HB       LYS  26   0.626 -13.921 -13.921
  917   1HG   LYS  26          2HG       LYS  26   0.227 -11.157 -11.157
  918   2HG   LYS  26          1HG       LYS  26   0.619 -12.197 -12.197
  919   1HD   LYS  26          2HD       LYS  26  -1.216 -13.637 -13.637
  920   2HD   LYS  26          1HD       LYS  26  -1.447 -13.003 -13.003
  921   1HE   LYS  26          2HE       LYS  26  -3.172 -11.976 -11.976
  922   2HE   LYS  26          1HE       LYS  26  -1.916 -10.728 -10.728
  923   1HZ   LYS  26          3HZ       LYS  26  -0.981 -11.562 -11.562
  924   2HZ   LYS  26          2HZ       LYS  26  -2.257 -12.677 -12.677
  925   3HZ   LYS  26          1HZ       LYS  26  -2.571 -11.009 -11.009
  926    H    LEU  27           H        LEU  27  -0.740 -11.036 -11.036
  927    HA   LEU  27           HA       LEU  27  -1.882 -12.309 -12.309
  928   1HB   LEU  27          2HB       LEU  27  -0.752  -9.761  -9.761
  929   2HB   LEU  27          1HB       LEU  27  -2.478  -9.448  -9.448
  930    HG   LEU  27           HG       LEU  27  -2.639 -11.234 -11.234
  931   1HD1  LEU  27          2HD1      LEU  27   0.189 -10.601 -10.601
  932   2HD1  LEU  27          1HD1      LEU  27  -0.461 -10.212 -10.212
  933   3HD1  LEU  27          3HD1      LEU  27  -0.613 -11.848 -11.848
  934   1HD2  LEU  27          1HD2      LEU  27  -2.615  -8.384  -8.384
  935   2HD2  LEU  27          3HD2      LEU  27  -3.468  -9.392  -9.392
  936   3HD2  LEU  27          2HD2      LEU  27  -1.828  -8.845  -8.845
  937    H    LYS  28           H        LYS  28  -4.026 -12.869 -12.869
  938    HA   LYS  28           HA       LYS  28  -5.362 -11.664 -11.664
  939   1HB   LYS  28          2HB       LYS  28  -5.654 -14.380 -14.380
  940   2HB   LYS  28          1HB       LYS  28  -6.529 -13.855 -13.855
  941   1HG   LYS  28          2HG       LYS  28  -4.616 -13.881 -13.881
  942   2HG   LYS  28          1HG       LYS  28  -3.528 -13.723 -13.723
  943   1HD   LYS  28          2HD       LYS  28  -4.179 -16.016 -16.016
  944   2HD   LYS  28          1HD       LYS  28  -5.167 -16.171 -16.171
  945   1HE   LYS  28          2HE       LYS  28  -3.251 -16.061 -16.061
  946   2HE   LYS  28          1HE       LYS  28  -2.204 -15.532 -15.532
  947   1HZ   LYS  28          2HZ       LYS  28  -3.728 -18.065 -18.065
  948   2HZ   LYS  28          1HZ       LYS  28  -2.179 -18.001 -18.001
  949   3HZ   LYS  28          3HZ       LYS  28  -2.393 -17.587 -17.587
  950    H    LYS  29           H        LYS  29  -7.770 -11.512 -11.512
  951    HA   LYS  29           HA       LYS  29  -8.780 -10.054 -10.054
  952   1HB   LYS  29          2HB       LYS  29 -10.178 -12.244 -12.244
  953   2HB   LYS  29          1HB       LYS  29 -10.985 -10.913 -10.913
  954   1HG   LYS  29          2HG       LYS  29 -10.702  -9.626  -9.626
  955   2HG   LYS  29          1HG       LYS  29  -8.953  -9.775  -9.775
  956   1HD   LYS  29          2HD       LYS  29  -9.293 -12.111 -12.111
  957   2HD   LYS  29          1HD       LYS  29 -10.820 -11.419 -11.419
  958   1HE   LYS  29          2HE       LYS  29  -9.640  -9.563  -9.563
  959   2HE   LYS  29          1HE       LYS  29  -8.091 -10.151 -10.151
  960   1HZ   LYS  29          2HZ       LYS  29  -9.488 -12.274 -12.274
  961   2HZ   LYS  29          1HZ       LYS  29  -9.379 -10.974 -10.974
  962   3HZ   LYS  29          3HZ       LYS  29  -7.971 -11.625 -11.625
  963    H    SER  30           H        SER  30  -8.629 -13.617 -13.617
  964    HA   SER  30           HA       SER  30  -9.985 -14.186 -14.186
  965   1HB   SER  30          2HB       SER  30  -7.947 -15.564 -15.564
  966   2HB   SER  30          1HB       SER  30  -8.481 -16.312 -16.312
  967    HG   SER  30           HG       SER  30  -9.702 -16.288 -16.288
  968    H    GLU  31           H        GLU  31  -6.456 -14.049 -14.049
  969    HA   GLU  31           HA       GLU  31  -5.652 -14.266 -14.266
  970   1HB   GLU  31          2HB       GLU  31  -4.519 -13.700 -13.700
  971   2HB   GLU  31          1HB       GLU  31  -3.676 -12.853 -12.853
  972   1HG   GLU  31          2HG       GLU  31  -2.847 -14.779 -14.779
  973   2HG   GLU  31          1HG       GLU  31  -4.334 -15.677 -15.677
  974    H    LEU  32           H        LEU  32  -6.471 -11.540 -11.540
  975    HA   LEU  32           HA       LEU  32  -5.607  -9.404  -9.404
  976   1HB   LEU  32          2HB       LEU  32  -6.294  -9.315  -9.315
  977   2HB   LEU  32          1HB       LEU  32  -7.962  -9.565  -9.565
  978    HG   LEU  32           HG       LEU  32  -7.174  -7.129  -7.129
  979   1HD1  LEU  32          2HD1      LEU  32  -8.952  -8.304  -8.304
  980   2HD1  LEU  32          1HD1      LEU  32  -8.267  -6.818  -6.818
  981   3HD1  LEU  32          3HD1      LEU  32  -9.125  -6.786  -6.786
  982   1HD2  LEU  32          1HD2      LEU  32  -5.073  -7.603  -7.603
  983   2HD2  LEU  32          3HD2      LEU  32  -5.900  -6.059  -6.059
  984   3HD2  LEU  32          2HD2      LEU  32  -6.157  -7.362  -7.362
  985    H    LYS  33           H        LYS  33  -8.646 -11.262 -11.262
  986    HA   LYS  33           HA       LYS  33 -10.171  -9.760  -9.760
  987   1HB   LYS  33          2HB       LYS  33 -11.062 -11.537 -11.537
  988   2HB   LYS  33          1HB       LYS  33 -10.090 -12.739 -12.739
  989   1HG   LYS  33          2HG       LYS  33 -12.558 -12.522 -12.522
  990   2HG   LYS  33          1HG       LYS  33 -11.353 -12.509 -12.509
  991   1HD   LYS  33          2HD       LYS  33 -11.587 -10.216 -10.216
  992   2HD   LYS  33          1HD       LYS  33 -12.218  -9.908  -9.908
  993   1HE   LYS  33          2HE       LYS  33 -13.683 -11.345 -11.345
  994   2HE   LYS  33          1HE       LYS  33 -14.061  -9.736  -9.736
  995   1HZ   LYS  33          2HZ       LYS  33 -13.945 -11.176 -11.176
  996   2HZ   LYS  33          1HZ       LYS  33 -14.539 -12.352 -12.352
  997   3HZ   LYS  33          3HZ       LYS  33 -15.385 -10.899 -10.899
  998    H    GLU  34           H        GLU  34  -8.274 -12.759 -12.759
  999    HA   GLU  34           HA       GLU  34  -8.385 -12.896 -12.896
 1000   1HB   GLU  34          2HB       GLU  34  -6.726 -13.822 -13.822
 1001   2HB   GLU  34          1HB       GLU  34  -5.703 -13.398 -13.398
 1002   1HG   GLU  34          2HG       GLU  34  -6.397 -15.194 -15.194
 1003   2HG   GLU  34          1HG       GLU  34  -8.093 -14.843 -14.843
 1004    H    LEU  35           H        LEU  35  -6.076 -11.037 -11.037
 1005    HA   LEU  35           HA       LEU  35  -4.534  -9.822  -9.822
 1006   1HB   LEU  35          2HB       LEU  35  -4.731  -9.668  -9.668
 1007   2HB   LEU  35          1HB       LEU  35  -5.576  -8.176  -8.176
 1008    HG   LEU  35           HG       LEU  35  -3.108  -8.552  -8.552
 1009   1HD1  LEU  35          1HD1      LEU  35  -2.578  -9.580  -9.580
 1010   2HD1  LEU  35          3HD1      LEU  35  -2.857  -7.981  -7.981
 1011   3HD1  LEU  35          2HD1      LEU  35  -1.558  -8.226  -8.226
 1012   1HD2  LEU  35          3HD2      LEU  35  -4.780  -6.497  -6.497
 1013   2HD2  LEU  35          2HD2      LEU  35  -3.095  -6.264  -6.264
 1014   3HD2  LEU  35          1HD2      LEU  35  -3.553  -6.240  -6.240
 1015    H    ILE  36           H        ILE  36  -7.826  -8.899  -8.899
 1016    HA   ILE  36           HA       ILE  36  -7.906  -6.572  -6.572
 1017    HB   ILE  36           HB       ILE  36 -10.424  -7.878  -7.878
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.169  -8.367  -8.367
 1019   2HG1  ILE  36          1HG1      ILE  36 -10.008  -6.855  -6.855
 1020   1HG2  ILE  36          3HG2      ILE  36  -9.241  -5.129  -5.129
 1021   2HG2  ILE  36          2HG2      ILE  36 -10.681  -5.431  -5.431
 1022   3HG2  ILE  36          1HG2      ILE  36 -10.701  -5.757  -5.757
 1023   1HD1  ILE  36          2HD1      ILE  36  -7.684  -5.982  -5.982
 1024   2HD1  ILE  36          1HD1      ILE  36  -7.141  -7.372  -7.372
 1025   3HD1  ILE  36          3HD1      ILE  36  -7.971  -6.052  -6.052
 1026    H    ASN  37           H        ASN  37  -9.188  -9.881  -9.881
 1027    HA   ASN  37           HA       ASN  37 -10.523  -9.645  -9.645
 1028   1HB   ASN  37          2HB       ASN  37 -11.407 -11.388 -11.388
 1029   2HB   ASN  37          1HB       ASN  37  -9.952 -11.603 -11.603
 1030   1HD2  ASN  37          2HD2      ASN  37  -9.393 -14.612 -14.612
 1031   2HD2  ASN  37          1HD2      ASN  37  -9.621 -13.857 -13.857
 1032    H    ASN  38           H        ASN  38  -7.258 -10.585 -10.585
 1033    HA   ASN  38           HA       ASN  38  -6.504 -11.719 -11.719
 1034   1HB   ASN  38          2HB       ASN  38  -5.421 -11.287 -11.287
 1035   2HB   ASN  38          1HB       ASN  38  -4.230 -10.843 -10.843
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.100 -14.745 -14.745
 1037   2HD2  ASN  38          1HD2      ASN  38  -5.784 -13.518 -13.518
 1038    H    GLU  39           H        GLU  39  -7.052  -8.557  -8.557
 1039    HA   GLU  39           HA       GLU  39  -5.305  -7.406  -7.406
 1040   1HB   GLU  39          2HB       GLU  39  -4.956  -5.550  -5.550
 1041   2HB   GLU  39          1HB       GLU  39  -4.691  -7.002  -7.002
 1042   1HG   GLU  39          2HG       GLU  39  -6.990  -6.845  -6.845
 1043   2HG   GLU  39          1HG       GLU  39  -7.255  -5.388  -5.388
 1044    H    LEU  40           H        LEU  40  -8.335  -7.069  -7.069
 1045    HA   LEU  40           HA       LEU  40  -9.453  -5.420  -5.420
 1046   1HB   LEU  40          2HB       LEU  40  -9.975  -5.670  -5.670
 1047   2HB   LEU  40          1HB       LEU  40 -11.146  -4.896  -4.896
 1048    HG   LEU  40           HG       LEU  40  -8.493  -3.913  -3.913
 1049   1HD1  LEU  40          3HD1      LEU  40  -8.782  -4.575  -4.575
 1050   2HD1  LEU  40          2HD1      LEU  40  -9.154  -2.852  -2.852
 1051   3HD1  LEU  40          1HD1      LEU  40  -7.609  -3.444  -3.444
 1052   1HD2  LEU  40          3HD2      LEU  40 -11.196  -3.016  -3.016
 1053   2HD2  LEU  40          2HD2      LEU  40  -9.832  -2.165  -2.165
 1054   3HD2  LEU  40          1HD2      LEU  40 -10.177  -1.973  -1.973
 1055    H    SER  41           H        SER  41  -9.676  -7.714  -7.714
 1056    HA   SER  41           HA       SER  41 -11.247  -9.821  -9.821
 1057   1HB   SER  41          2HB       SER  41 -10.407  -9.962  -9.962
 1058   2HB   SER  41          1HB       SER  41 -10.893  -8.317  -8.317
 1059    HG   SER  41           HG       SER  41 -12.762  -9.048  -9.048
 1060    H    HIS  42           H        HIS  42 -12.316  -6.558  -6.558
 1061    HA   HIS  42           HA       HIS  42 -15.119  -6.993  -6.993
 1062   1HB   HIS  42          2HB       HIS  42 -13.419  -4.889  -4.889
 1063   2HB   HIS  42          1HB       HIS  42 -14.105  -4.598  -4.598
 1064    HD1  HIS  42           HD1      HIS  42 -14.863  -4.324  -4.324
 1065    HD2  HIS  42           HD2      HIS  42 -17.036  -4.367  -4.367
 1066    HE1  HIS  42           HE1      HIS  42 -17.174  -3.448  -3.448
 1067    H    PHE  43           H        PHE  43 -13.025  -6.554  -6.554
 1068    HA   PHE  43           HA       PHE  43 -15.129  -6.503  -6.503
 1069   1HB   PHE  43          2HB       PHE  43 -12.174  -6.960  -6.960
 1070   2HB   PHE  43          1HB       PHE  43 -13.024  -7.442  -7.442
 1071    HD1  PHE  43           HD1      PHE  43 -13.469  -4.586  -4.586
 1072    HD2  PHE  43           HD2      PHE  43 -12.750  -5.849  -5.849
 1073    HE1  PHE  43           HE1      PHE  43 -13.522  -2.218  -2.218
 1074    HE2  PHE  43           HE2      PHE  43 -12.812  -3.485  -3.485
 1075    HZ   PHE  43           HZ       PHE  43 -13.199  -1.672  -1.672
 1076    H    LEU  44           H        LEU  44 -13.701  -9.056  -9.056
 1077    HA   LEU  44           HA       LEU  44 -14.069 -11.333 -11.333
 1078   1HB   LEU  44          2HB       LEU  44 -13.276 -10.922 -10.922
 1079   2HB   LEU  44          1HB       LEU  44 -14.960 -11.286 -11.286
 1080    HG   LEU  44           HG       LEU  44 -14.790 -13.426 -13.426
 1081   1HD1  LEU  44          3HD1      LEU  44 -12.463 -12.136 -12.136
 1082   2HD1  LEU  44          2HD1      LEU  44 -12.005 -13.686 -13.686
 1083   3HD1  LEU  44          1HD1      LEU  44 -13.264 -13.618 -13.618
 1084   1HD2  LEU  44          2HD2      LEU  44 -13.808 -12.939 -12.939
 1085   2HD2  LEU  44          1HD2      LEU  44 -13.629 -14.526 -14.526
 1086   3HD2  LEU  44          3HD2      LEU  44 -12.290 -13.379 -13.379
 1087    H    GLU  45           H        GLU  45 -16.344  -9.404  -9.404
 1088    HA   GLU  45           HA       GLU  45 -18.681 -11.017 -11.017
 1089   1HB   GLU  45          2HB       GLU  45 -17.871  -9.083  -9.083
 1090   2HB   GLU  45          1HB       GLU  45 -19.325  -8.496  -8.496
 1091   1HG   GLU  45          2HG       GLU  45 -19.950  -9.882  -9.882
 1092   2HG   GLU  45          1HG       GLU  45 -20.425 -10.683 -10.683
 1093    H    GLU  46           H        GLU  46 -16.952  -8.132  -8.132
 1094    HA   GLU  46           HA       GLU  46 -17.165  -6.681  -6.681
 1095   1HB   GLU  46          2HB       GLU  46 -17.579  -9.204  -9.204
 1096   2HB   GLU  46          1HB       GLU  46 -19.171  -8.550  -8.550
 1097   1HG   GLU  46          2HG       GLU  46 -18.308  -6.993  -6.993
 1098   2HG   GLU  46          1HG       GLU  46 -16.681  -7.095  -7.095
 1099    H    ILE  47           H        ILE  47 -20.428  -8.157  -8.157
 1100    HA   ILE  47           HA       ILE  47 -22.125  -6.148  -6.148
 1101    HB   ILE  47           HB       ILE  47 -22.464  -8.504  -8.504
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.322  -7.179  -7.179
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.789  -7.882  -7.882
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.600  -6.702  -6.702
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.125  -8.388  -8.388
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.424  -7.983  -7.983
 1107   1HD1  ILE  47          1HD1      ILE  47 -23.847  -5.629  -5.629
 1108   2HD1  ILE  47          3HD1      ILE  47 -24.113  -5.032  -5.032
 1109   3HD1  ILE  47          2HD1      ILE  47 -25.464  -5.668  -5.668
 1110    H    LYS  48           H        LYS  48 -20.261  -6.278  -6.278
 1111    HA   LYS  48           HA       LYS  48 -21.372  -4.355  -4.355
 1112   1HB   LYS  48          2HB       LYS  48 -18.442  -4.606  -4.606
 1113   2HB   LYS  48          1HB       LYS  48 -19.062  -3.953  -3.953
 1114   1HG   LYS  48          2HG       LYS  48 -19.872  -6.728  -6.728
 1115   2HG   LYS  48          1HG       LYS  48 -18.260  -6.471  -6.471
 1116   1HD   LYS  48          2HD       LYS  48 -19.606  -5.080  -5.080
 1117   2HD   LYS  48          1HD       LYS  48 -20.922  -6.139  -6.139
 1118   1HE   LYS  48          2HE       LYS  48 -20.047  -7.838  -7.838
 1119   2HE   LYS  48          1HE       LYS  48 -18.517  -7.707  -7.707
 1120   1HZ   LYS  48          1HZ       LYS  48 -19.284  -5.797  -5.797
 1121   2HZ   LYS  48          3HZ       LYS  48 -18.406  -7.210  -7.210
 1122   3HZ   LYS  48          2HZ       LYS  48 -17.753  -6.028  -6.028
 1123    H    GLU  49           H        GLU  49 -19.928  -3.890  -3.890
 1124    HA   GLU  49           HA       GLU  49 -20.538  -0.965  -0.965
 1125   1HB   GLU  49          2HB       GLU  49 -18.328  -0.784  -0.784
 1126   2HB   GLU  49          1HB       GLU  49 -18.207  -1.004  -1.004
 1127   1HG   GLU  49          2HG       GLU  49 -17.686  -3.306  -3.306
 1128   2HG   GLU  49          1HG       GLU  49 -18.240  -3.363  -3.363
 1129    H    GLN  50           H        GLN  50 -22.413  -1.428  -1.428
 1130    HA   GLN  50           HA       GLN  50 -22.514  -2.921  -2.921
 1131   1HB   GLN  50          2HB       GLN  50 -23.925  -0.555  -0.555
 1132   2HB   GLN  50          1HB       GLN  50 -24.259  -0.964  -0.964
 1133   1HG   GLN  50          2HG       GLN  50 -24.240  -3.338  -3.338
 1134   2HG   GLN  50          1HG       GLN  50 -25.416  -2.155  -2.155
 1135   1HE2  GLN  50          2HE2      GLN  50 -25.876  -3.496  -3.496
 1136   2HE2  GLN  50          1HE2      GLN  50 -24.308  -3.291  -3.291
 1137    H    GLU  51           H        GLU  51 -22.391   0.657   0.657
 1138    HA   GLU  51           HA       GLU  51 -21.680   1.129   1.129
 1139   1HB   GLU  51          2HB       GLU  51 -22.016   2.776   2.776
 1140   2HB   GLU  51          1HB       GLU  51 -20.358   2.444   2.444
 1141   1HG   GLU  51          2HG       GLU  51 -19.636   3.044   3.044
 1142   2HG   GLU  51          1HG       GLU  51 -21.277   3.637   3.637
 1143    H    VAL  52           H        VAL  52 -19.255   0.515   0.515
 1144    HA   VAL  52           HA       VAL  52 -17.038   0.400   0.400
 1145    HB   VAL  52           HB       VAL  52 -17.236  -0.957  -0.957
 1146   1HG1  VAL  52          2HG1      VAL  52 -15.162  -0.636  -0.636
 1147   2HG1  VAL  52          1HG1      VAL  52 -14.879   0.647   0.647
 1148   3HG1  VAL  52          3HG1      VAL  52 -14.973  -1.029  -1.029
 1149   1HG2  VAL  52          1HG2      VAL  52 -17.331   1.938   1.938
 1150   2HG2  VAL  52          3HG2      VAL  52 -18.054   1.109   1.109
 1151   3HG2  VAL  52          2HG2      VAL  52 -16.331   1.485   1.485
 1152    H    VAL  53           H        VAL  53 -18.945  -2.164  -2.164
 1153    HA   VAL  53           HA       VAL  53 -17.707  -4.443  -4.443
 1154    HB   VAL  53           HB       VAL  53 -20.547  -3.648  -3.648
 1155   1HG1  VAL  53          1HG1      VAL  53 -19.631  -6.271  -6.271
 1156   2HG1  VAL  53          3HG1      VAL  53 -21.147  -6.094  -6.094
 1157   3HG1  VAL  53          2HG1      VAL  53 -20.886  -5.192  -5.192
 1158   1HG2  VAL  53          2HG2      VAL  53 -18.305  -4.846  -4.846
 1159   2HG2  VAL  53          1HG2      VAL  53 -19.861  -4.357  -4.357
 1160   3HG2  VAL  53          3HG2      VAL  53 -19.659  -5.977  -5.977
 1161    H    ASP  54           H        ASP  54 -19.799  -2.065  -2.065
 1162    HA   ASP  54           HA       ASP  54 -20.067  -3.478  -3.478
 1163   1HB   ASP  54          2HB       ASP  54 -21.855  -2.066  -2.066
 1164   2HB   ASP  54          1HB       ASP  54 -20.780  -0.801  -0.801
 1165    H    LYS  55           H        LYS  55 -18.101  -0.865  -0.865
 1166    HA   LYS  55           HA       LYS  55 -16.737  -0.244  -0.244
 1167   1HB   LYS  55          2HB       LYS  55 -15.934   0.397   0.397
 1168   2HB   LYS  55          1HB       LYS  55 -15.538   1.309   1.309
 1169   1HG   LYS  55          2HG       LYS  55 -18.416   0.935   0.935
 1170   2HG   LYS  55          1HG       LYS  55 -17.716   1.778   1.778
 1171   1HD   LYS  55          2HD       LYS  55 -18.382   3.372   3.372
 1172   2HD   LYS  55          1HD       LYS  55 -16.624   3.359   3.359
 1173   1HE   LYS  55          2HE       LYS  55 -16.350   2.653   2.653
 1174   2HE   LYS  55          1HE       LYS  55 -17.571   1.381   1.381
 1175   1HZ   LYS  55          2HZ       LYS  55 -19.299   3.080   3.080
 1176   2HZ   LYS  55          1HZ       LYS  55 -18.117   4.273   4.273
 1177   3HZ   LYS  55          3HZ       LYS  55 -18.348   3.046   3.046
 1178    H    VAL  56           H        VAL  56 -15.544  -1.545  -1.545
 1179    HA   VAL  56           HA       VAL  56 -13.041  -2.488  -2.488
 1180    HB   VAL  56           HB       VAL  56 -15.197  -3.547  -3.547
 1181   1HG1  VAL  56          1HG1      VAL  56 -13.702  -5.429  -5.429
 1182   2HG1  VAL  56          3HG1      VAL  56 -12.322  -4.506  -4.506
 1183   3HG1  VAL  56          2HG1      VAL  56 -13.568  -5.053  -5.053
 1184   1HG2  VAL  56          3HG2      VAL  56 -13.694  -1.336  -1.336
 1185   2HG2  VAL  56          2HG2      VAL  56 -14.145  -2.299  -2.299
 1186   3HG2  VAL  56          1HG2      VAL  56 -12.553  -2.497  -2.497
 1187    H    MET  57           H        MET  57 -16.154  -4.277  -4.277
 1188    HA   MET  57           HA       MET  57 -14.942  -6.520  -6.520
 1189   1HB   MET  57          2HB       MET  57 -17.809  -5.557  -5.557
 1190   2HB   MET  57          1HB       MET  57 -17.324  -7.153  -7.153
 1191   1HG   MET  57          2HG       MET  57 -16.535  -6.051  -6.051
 1192   2HG   MET  57          1HG       MET  57 -17.962  -7.055  -7.055
 1193   1HE   MET  57          1HE       MET  57 -15.361  -6.925  -6.925
 1194   2HE   MET  57          3HE       MET  57 -15.117  -8.642  -8.642
 1195   3HE   MET  57          2HE       MET  57 -13.954  -7.769  -7.769
 1196    H    GLU  58           H        GLU  58 -16.217  -3.408  -3.408
 1197    HA   GLU  58           HA       GLU  58 -16.941  -3.940  -3.940
 1198   1HB   GLU  58          2HB       GLU  58 -17.445  -1.762  -1.762
 1199   2HB   GLU  58          1HB       GLU  58 -16.447  -1.715  -1.715
 1200   1HG   GLU  58          2HG       GLU  58 -15.640  -0.039  -0.039
 1201   2HG   GLU  58          1HG       GLU  58 -14.443  -1.330  -1.330
 1202    H    THR  59           H        THR  59 -13.757  -3.073  -3.073
 1203    HA   THR  59           HA       THR  59 -12.450  -3.475  -3.475
 1204    HB   THR  59           HB       THR  59 -11.562  -2.612  -2.612
 1205    HG1  THR  59           HG1      THR  59 -11.335  -1.133  -1.133
 1206   1HG2  THR  59          2HG2      THR  59  -9.987  -3.439  -3.439
 1207   2HG2  THR  59          1HG2      THR  59  -9.470  -1.956  -1.956
 1208   3HG2  THR  59          3HG2      THR  59  -9.548  -3.469  -3.469
 1209    H    LEU  60           H        LEU  60 -12.470  -4.919  -4.919
 1210    HA   LEU  60           HA       LEU  60 -10.551  -7.004  -7.004
 1211   1HB   LEU  60          2HB       LEU  60 -10.785  -6.327  -6.327
 1212   2HB   LEU  60          1HB       LEU  60 -12.544  -6.417  -6.417
 1213    HG   LEU  60           HG       LEU  60 -12.495  -8.823  -8.823
 1214   1HD1  LEU  60          3HD1      LEU  60  -9.776  -8.324  -8.324
 1215   2HD1  LEU  60          2HD1      LEU  60  -9.813  -9.532  -9.532
 1216   3HD1  LEU  60          1HD1      LEU  60 -10.760  -9.776  -9.776
 1217   1HD2  LEU  60          2HD2      LEU  60 -10.731  -7.555  -7.555
 1218   2HD2  LEU  60          1HD2      LEU  60 -12.374  -8.169  -8.169
 1219   3HD2  LEU  60          3HD2      LEU  60 -11.025  -9.294  -9.294
 1220    H    ASP  61           H        ASP  61 -14.111  -6.894  -6.894
 1221    HA   ASP  61           HA       ASP  61 -14.362  -9.707  -9.707
 1222   1HB   ASP  61          2HB       ASP  61 -15.728  -8.183  -8.183
 1223   2HB   ASP  61          1HB       ASP  61 -16.661  -7.815  -7.815
 1224    H    SER  62           H        SER  62 -13.834  -6.852  -6.852
 1225    HA   SER  62           HA       SER  62 -15.742  -6.791  -6.791
 1226   1HB   SER  62          2HB       SER  62 -14.386  -5.027  -5.027
 1227   2HB   SER  62          1HB       SER  62 -13.181  -5.676  -5.676
 1228    HG   SER  62           HG       SER  62 -13.491  -6.124  -6.124
 1229    H    ASP  63           H        ASP  63 -13.310  -9.104  -9.104
 1230    HA   ASP  63           HA       ASP  63 -12.499 -10.995 -10.995
 1231   1HB   ASP  63          2HB       ASP  63 -14.931 -11.425 -11.425
 1232   2HB   ASP  63          1HB       ASP  63 -15.237 -10.656 -10.656
 1233    H    GLY  64           H        GLY  64 -11.201  -8.990  -8.990
 1234   1HA   GLY  64          2HA       GLY  64 -10.506  -9.665  -9.665
 1235   2HA   GLY  64          1HA       GLY  64 -11.835  -8.523  -8.523
 1236    H    ASP  65           H        ASP  65 -11.296  -6.873  -6.873
 1237    HA   ASP  65           HA       ASP  65  -8.691  -5.639  -5.639
 1238   1HB   ASP  65          2HB       ASP  65 -11.321  -4.687  -4.687
 1239   2HB   ASP  65          1HB       ASP  65 -10.638  -3.873  -3.873
 1240    H    GLY  66           H        GLY  66  -9.622  -7.553  -7.553
 1241   1HA   GLY  66          2HA       GLY  66  -8.629  -5.838  -5.838
 1242   2HA   GLY  66          1HA       GLY  66  -9.676  -7.249  -7.249
 1243    H    GLU  67           H        GLU  67  -7.195  -7.525  -7.525
 1244    HA   GLU  67           HA       GLU  67  -5.838  -9.590  -9.590
 1245   1HB   GLU  67          2HB       GLU  67  -4.789 -10.053 -10.053
 1246   2HB   GLU  67          1HB       GLU  67  -6.488  -9.738  -9.738
 1247   1HG   GLU  67          2HG       GLU  67  -5.602  -7.235  -7.235
 1248   2HG   GLU  67          1HG       GLU  67  -4.096  -8.062  -8.062
 1249    H    CYS  68           H        CYS  68  -4.044  -9.045  -9.045
 1250    HA   CYS  68           HA       CYS  68  -2.524  -6.595  -6.595
 1251   1HB   CYS  68          2HB       CYS  68  -3.530  -7.475  -7.475
 1252   2HB   CYS  68          1HB       CYS  68  -2.458  -6.101  -6.101
 1253    HG   CYS  68           HG       CYS  68  -4.522  -4.802  -4.802
 1254    H    ASP  69           H        ASP  69  -0.364  -6.481  -6.481
 1255    HA   ASP  69           HA       ASP  69   0.830  -9.053  -9.053
 1256   1HB   ASP  69          2HB       ASP  69   1.937  -7.094  -7.094
 1257   2HB   ASP  69          1HB       ASP  69   2.660  -8.625  -8.625
 1258    H    PHE  70           H        PHE  70   3.253  -8.308  -8.308
 1259    HA   PHE  70           HA       PHE  70   3.628  -7.096  -7.096
 1260   1HB   PHE  70          2HB       PHE  70   4.944  -6.534  -6.534
 1261   2HB   PHE  70          1HB       PHE  70   5.453  -5.602  -5.602
 1262    HD1  PHE  70           HD2      PHE  70   6.315  -6.787  -6.787
 1263    HD2  PHE  70           HD1      PHE  70   5.537  -8.851  -8.851
 1264    HE1  PHE  70           HE2      PHE  70   7.725  -8.657  -8.657
 1265    HE2  PHE  70           HE1      PHE  70   6.945 -10.746 -10.746
 1266    HZ   PHE  70           HZ       PHE  70   8.027 -10.644 -10.644
 1267    H    GLN  71           H        GLN  71   3.140  -4.896  -4.896
 1268    HA   GLN  71           HA       GLN  71   2.702  -2.572  -2.572
 1269   1HB   GLN  71          2HB       GLN  71   3.717  -1.950  -1.950
 1270   2HB   GLN  71          1HB       GLN  71   2.992  -3.281  -3.281
 1271   1HG   GLN  71          2HG       GLN  71   1.088  -2.074  -2.074
 1272   2HG   GLN  71          1HG       GLN  71   1.197  -1.064  -1.064
 1273   1HE2  GLN  71          2HE2      GLN  71   2.252   1.326   1.326
 1274   2HE2  GLN  71          1HE2      GLN  71   0.864   0.730   0.730
 1275    H    GLU  72           H        GLU  72   0.587  -3.668  -3.668
 1276    HA   GLU  72           HA       GLU  72  -1.750  -2.413  -2.413
 1277   1HB   GLU  72          2HB       GLU  72  -1.624  -5.325  -5.325
 1278   2HB   GLU  72          1HB       GLU  72  -2.882  -4.170  -4.170
 1279   1HG   GLU  72          2HG       GLU  72  -1.753  -3.718  -3.718
 1280   2HG   GLU  72          1HG       GLU  72  -0.469  -3.025  -3.025
 1281    H    PHE  73           H        PHE  73  -0.395  -5.276  -5.276
 1282    HA   PHE  73           HA       PHE  73  -2.598  -6.088  -6.088
 1283   1HB   PHE  73          2HB       PHE  73  -0.891  -7.454  -7.454
 1284   2HB   PHE  73          1HB       PHE  73   0.298  -6.257  -6.257
 1285    HD1  PHE  73           HD2      PHE  73  -2.235  -6.331  -6.331
 1286    HD2  PHE  73           HD1      PHE  73   1.900  -6.078  -6.078
 1287    HE1  PHE  73           HE2      PHE  73  -1.587  -5.963  -5.963
 1288    HE2  PHE  73           HE1      PHE  73   2.534  -5.712  -5.712
 1289    HZ   PHE  73           HZ       PHE  73   0.789  -5.655  -5.655
 1290    H    MET  74           H        MET  74  -0.098  -3.963  -3.963
 1291    HA   MET  74           HA       MET  74  -1.899  -3.041  -3.041
 1292   1HB   MET  74          2HB       MET  74  -0.148  -1.066  -1.066
 1293   2HB   MET  74          1HB       MET  74   0.350  -2.681  -2.681
 1294   1HG   MET  74          2HG       MET  74   1.390  -3.097  -3.097
 1295   2HG   MET  74          1HG       MET  74   0.659  -1.658  -1.658
 1296   1HE   MET  74          3HE       MET  74   2.483  -2.661  -2.661
 1297   2HE   MET  74          2HE       MET  74   3.343  -1.181  -1.181
 1298   3HE   MET  74          1HE       MET  74   1.582  -1.190  -1.190
 1299    H    ALA  75           H        ALA  75  -1.291  -2.022  -2.022
 1300    HA   ALA  75           HA       ALA  75  -2.376   0.539   0.539
 1301   1HB   ALA  75          2HB       ALA  75  -1.559  -1.287  -1.287
 1302   2HB   ALA  75          1HB       ALA  75  -3.293  -1.559  -1.559
 1303   3HB   ALA  75          3HB       ALA  75  -2.611   0.035   0.035
 1304    H    PHE  76           H        PHE  76  -4.368  -2.428  -2.428
 1305    HA   PHE  76           HA       PHE  76  -6.871  -1.079  -1.079
 1306   1HB   PHE  76          2HB       PHE  76  -6.728  -3.209  -3.209
 1307   2HB   PHE  76          1HB       PHE  76  -5.978  -3.969  -3.969
 1308    HD1  PHE  76           HD1      PHE  76  -9.112  -2.303  -2.303
 1309    HD2  PHE  76           HD2      PHE  76  -7.300  -4.917  -4.917
 1310    HE1  PHE  76           HE1      PHE  76 -11.355  -2.874  -2.874
 1311    HE2  PHE  76           HE2      PHE  76  -9.543  -5.488  -5.488
 1312    HZ   PHE  76           HZ       PHE  76 -11.570  -4.467  -4.467
 1313    H    VAL  77           H        VAL  77  -4.784  -2.912  -2.912
 1314    HA   VAL  77           HA       VAL  77  -6.382  -3.011  -3.011
 1315    HB   VAL  77           HB       VAL  77  -3.714  -3.389  -3.389
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.529  -0.837  -0.837
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.597  -1.488  -1.488
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.311  -1.991  -1.991
 1319   1HG2  VAL  77          3HG2      VAL  77  -5.121  -4.635  -4.635
 1320   2HG2  VAL  77          2HG2      VAL  77  -3.518  -4.268  -4.268
 1321   3HG2  VAL  77          1HG2      VAL  77  -4.912  -3.318  -3.318
 1322    H    ALA  78           H        ALA  78  -4.812  -0.215  -0.215
 1323    HA   ALA  78           HA       ALA  78  -5.597   1.639   1.639
 1324   1HB   ALA  78          3HB       ALA  78  -4.173   1.655   1.655
 1325   2HB   ALA  78          2HB       ALA  78  -5.268   3.034   3.034
 1326   3HB   ALA  78          1HB       ALA  78  -4.024   2.783   2.783
 1327    H    MET  79           H        MET  79  -6.769   0.852   0.852
 1328    HA   MET  79           HA       MET  79  -9.058   2.453   2.453
 1329   1HB   MET  79          2HB       MET  79  -7.987   0.460   0.460
 1330   2HB   MET  79          1HB       MET  79  -9.302  -0.442  -0.442
 1331   1HG   MET  79          2HG       MET  79  -9.596   2.133   2.133
 1332   2HG   MET  79          1HG       MET  79 -10.029   0.522   0.522
 1333   1HE   MET  79          3HE       MET  79 -12.216   0.324   0.324
 1334   2HE   MET  79          2HE       MET  79 -12.140  -0.876  -0.876
 1335   3HE   MET  79          1HE       MET  79 -13.513   0.225   0.225
 1336    H    ILE  80           H        ILE  80  -8.691  -0.640  -0.640
 1337    HA   ILE  80           HA       ILE  80 -11.340  -0.915  -0.915
 1338    HB   ILE  80           HB       ILE  80  -8.882  -1.306  -1.306
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.691  -2.869  -2.869
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.114  -2.183  -2.183
 1341   1HG2  ILE  80          3HG2      ILE  80 -11.601  -2.022  -2.022
 1342   2HG2  ILE  80          2HG2      ILE  80 -10.744  -3.518  -3.518
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.283  -2.566  -2.566
 1344   1HD1  ILE  80          2HD1      ILE  80  -8.407  -3.743  -3.743
 1345   2HD1  ILE  80          1HD1      ILE  80  -9.372  -4.673  -4.673
 1346   3HD1  ILE  80          3HD1      ILE  80  -7.680  -4.322  -4.322
 1347    H    THR  81           H        THR  81  -8.527   0.736   0.736
 1348    HA   THR  81           HA       THR  81  -9.870   2.019   2.019
 1349    HB   THR  81           HB       THR  81  -7.402   2.795   2.795
 1350    HG1  THR  81           HG1      THR  81  -6.373   1.368   1.368
 1351   1HG2  THR  81          3HG2      THR  81  -8.628   3.779   3.779
 1352   2HG2  THR  81          2HG2      THR  81  -6.873   3.602   3.602
 1353   3HG2  THR  81          1HG2      THR  81  -7.675   4.646   4.646
 1354    H    THR  82           H        THR  82  -9.806   2.721   2.721
 1355    HA   THR  82           HA       THR  82 -10.531   5.560   5.560
 1356    HB   THR  82           HB       THR  82 -10.638   5.608   5.608
 1357    HG1  THR  82           HG1      THR  82 -11.249   3.924   3.924
 1358   1HG2  THR  82          3HG2      THR  82  -8.409   3.943   3.943
 1359   2HG2  THR  82          2HG2      THR  82  -8.428   4.393   4.393
 1360   3HG2  THR  82          1HG2      THR  82  -8.383   5.642   5.642
 1361    H    ALA  83           H        ALA  83 -12.147   2.497   2.497
 1362    HA   ALA  83           HA       ALA  83 -14.773   3.779   3.779
 1363   1HB   ALA  83          3HB       ALA  83 -13.891   0.898   0.898
 1364   2HB   ALA  83          2HB       ALA  83 -15.493   1.407   1.407
 1365   3HB   ALA  83          1HB       ALA  83 -14.091   1.699   1.699
 1366    H    CYS  84           H        CYS  84 -12.902   2.262   2.262
 1367    HA   CYS  84           HA       CYS  84 -14.814   1.664   1.664
 1368   1HB   CYS  84          2HB       CYS  84 -12.492   1.148   1.148
 1369   2HB   CYS  84          1HB       CYS  84 -12.024   2.840   2.840
 1370    HG   CYS  84           HG       CYS  84 -13.859   2.308   2.308
 1371    H    HIS  85           H        HIS  85 -12.885   4.462   4.462
 1372    HA   HIS  85           HA       HIS  85 -15.392   6.083   6.083
 1373   1HB   HIS  85          2HB       HIS  85 -12.881   6.030   6.030
 1374   2HB   HIS  85          1HB       HIS  85 -14.336   6.969   6.969
 1375    HD1  HIS  85           HD1      HIS  85 -13.092   4.542   4.542
 1376    HD2  HIS  85           HD2      HIS  85 -16.440   4.382   4.382
 1377    HE1  HIS  85           HE1      HIS  85 -14.506   2.613   2.613
 1378    H    GLU  86           H        GLU  86 -13.884   6.162   6.162
 1379    HA   GLU  86           HA       GLU  86 -12.973   7.797   7.797
 1380   1HB   GLU  86          2HB       GLU  86 -14.169   9.162   9.162
 1381   2HB   GLU  86          1HB       GLU  86 -12.696  10.010  10.010
 1382   1HG   GLU  86          2HG       GLU  86 -14.682   9.117   9.117
 1383   2HG   GLU  86          1HG       GLU  86 -14.917  10.631  10.631
 1384    H    PHE  87           H        PHE  87 -11.351   6.095   6.095
 1385    HA   PHE  87           HA       PHE  87  -9.023   5.823   5.823
 1386   1HB   PHE  87          2HB       PHE  87  -9.348   7.412   7.412
 1387   2HB   PHE  87          1HB       PHE  87  -8.279   8.368   8.368
 1388    HD1  PHE  87           HD2      PHE  87  -8.685   5.117   5.117
 1389    HD2  PHE  87           HD1      PHE  87  -5.980   7.687   7.687
 1390    HE1  PHE  87           HE2      PHE  87  -6.760   3.760   3.760
 1391    HE2  PHE  87           HE1      PHE  87  -4.078   6.353   6.353
 1392    HZ   PHE  87           HZ       PHE  87  -4.462   4.373   4.373
 1393    H    PHE  88           H        PHE  88  -9.247   9.372   9.372
 1394    HA   PHE  88           HA       PHE  88  -7.776   9.739   9.739
 1395   1HB   PHE  88          2HB       PHE  88  -9.519  11.636  11.636
 1396   2HB   PHE  88          1HB       PHE  88  -8.241  12.087  12.087
 1397    HD1  PHE  88           HD2      PHE  88  -6.850   9.285   9.285
 1398    HD2  PHE  88           HD1      PHE  88  -8.032  13.143  13.143
 1399    HE1  PHE  88           HE2      PHE  88  -5.182   9.060   9.060
 1400    HE2  PHE  88           HE1      PHE  88  -6.376  12.964  12.964
 1401    HZ   PHE  88           HZ       PHE  88  -4.951  10.954  10.954
 1402    H    GLU  89           H        GLU  89 -10.890   8.642   8.642
 1403    HA   GLU  89           HA       GLU  89 -12.614   8.445   8.445
 1404   1HB   GLU  89          2HB       GLU  89 -10.430   8.948   8.948
 1405   2HB   GLU  89          1HB       GLU  89 -11.271  10.474  10.474
 1406   1HG   GLU  89          2HG       GLU  89 -13.121   8.262   8.262
 1407   2HG   GLU  89          1HG       GLU  89 -11.748   8.026   8.026
 1408    H    HIS  90           H        HIS  90 -11.283  11.778  11.778
 1409    HA   HIS  90           HA       HIS  90 -14.062  12.835  12.835
 1410   1HB   HIS  90          2HB       HIS  90 -11.734  14.673  14.673
 1411   2HB   HIS  90          1HB       HIS  90 -13.238  14.716  14.716
 1412    HD1  HIS  90           HD1      HIS  90 -13.295  13.493  13.493
 1413    HD2  HIS  90           HD2      HIS  90  -9.666  13.064  13.064
 1414    HE1  HIS  90           HE1      HIS  90 -11.675  12.471  12.471
 1415    H    GLU  91           H        GLU  91 -14.175  14.780  14.780
 1416    HA   GLU  91           HA       GLU  91 -12.331  14.945  14.945
 1417   1HB   GLU  91          2HB       GLU  91 -13.658  13.685  13.685
 1418   2HB   GLU  91          1HB       GLU  91 -13.192  12.635  12.635
 1419   1HG   GLU  91          2HG       GLU  91 -15.375  12.145  12.145
 1420   2HG   GLU  91          1HG       GLU  91 -15.614  13.808  13.808

  Start of MODEL   14
    1   1H    MET   0          3H        MET   0   1.055  -8.207  -8.207
    2   2H    MET   0          2H        MET   0   1.089  -9.905  -9.905
    3   3H    MET   0          1H        MET   0   0.448  -9.068  -9.068
    4    HA   MET   0           HA       MET   0  -1.493  -9.645  -9.645
    5   1HB   MET   0          2HB       MET   0   0.247 -10.488 -10.488
    6   2HB   MET   0          1HB       MET   0  -0.393  -9.085  -9.085
    7   1HG   MET   0          2HG       MET   0  -2.672 -10.277 -10.277
    8   2HG   MET   0          1HG       MET   0  -1.673 -11.655 -11.655
    9   1HE   MET   0          3HE       MET   0  -4.351 -10.870 -10.870
   10   2HE   MET   0          2HE       MET   0  -4.541 -10.649 -10.649
   11   3HE   MET   0          1HE       MET   0  -4.379  -9.242  -9.242
   12    H    SER   1           H        SER   1  -2.060  -8.123  -8.123
   13    HA   SER   1           HA       SER   1  -3.398  -5.885  -5.885
   14   1HB   SER   1          2HB       SER   1  -3.460  -5.407  -5.407
   15   2HB   SER   1          1HB       SER   1  -2.683  -6.982  -6.982
   16    HG   SER   1           HG       SER   1  -1.395  -5.575  -5.575
   17    H    GLU   2           H        GLU   2   0.100  -6.222  -6.222
   18    HA   GLU   2           HA       GLU   2   1.152  -3.694  -3.694
   19   1HB   GLU   2          2HB       GLU   2   1.680  -6.029  -6.029
   20   2HB   GLU   2          1HB       GLU   2   2.713  -4.598  -4.598
   21   1HG   GLU   2          2HG       GLU   2   2.309  -5.348  -5.348
   22   2HG   GLU   2          1HG       GLU   2   2.741  -6.809  -6.809
   23    H    LEU   3           H        LEU   3  -0.863  -5.013  -5.013
   24    HA   LEU   3           HA       LEU   3  -0.368  -2.825  -2.825
   25   1HB   LEU   3          2HB       LEU   3  -1.999  -5.293  -5.293
   26   2HB   LEU   3          1HB       LEU   3  -2.636  -4.046  -4.046
   27    HG   LEU   3           HG       LEU   3  -0.660  -4.050  -4.050
   28   1HD1  LEU   3          2HD1      LEU   3   0.526  -5.662  -5.662
   29   2HD1  LEU   3          1HD1      LEU   3   1.292  -5.555  -5.555
   30   3HD1  LEU   3          3HD1      LEU   3   1.065  -4.100  -4.100
   31   1HD2  LEU   3          1HD2      LEU   3  -1.327  -6.889  -6.889
   32   2HD2  LEU   3          3HD2      LEU   3  -2.137  -5.958  -5.958
   33   3HD2  LEU   3          2HD2      LEU   3  -0.458  -6.453  -6.453
   34    H    GLU   4           H        GLU   4  -3.530  -3.858  -3.858
   35    HA   GLU   4           HA       GLU   4  -5.005  -1.562  -1.562
   36   1HB   GLU   4          2HB       GLU   4  -6.022  -3.469  -3.469
   37   2HB   GLU   4          1HB       GLU   4  -4.832  -3.514  -3.514
   38   1HG   GLU   4          2HG       GLU   4  -6.313  -0.979  -0.979
   39   2HG   GLU   4          1HG       GLU   4  -7.332  -2.376  -2.376
   40    H    LYS   5           H        LYS   5  -3.072  -2.194  -2.194
   41    HA   LYS   5           HA       LYS   5  -3.358   0.387   0.387
   42   1HB   LYS   5          2HB       LYS   5  -0.944  -1.452  -1.452
   43   2HB   LYS   5          1HB       LYS   5  -1.494  -0.338  -0.338
   44   1HG   LYS   5          2HG       LYS   5  -3.619  -2.180  -2.180
   45   2HG   LYS   5          1HG       LYS   5  -2.187  -3.046  -3.046
   46   1HD   LYS   5          2HD       LYS   5  -2.921  -2.622  -2.622
   47   2HD   LYS   5          1HD       LYS   5  -2.415  -0.955  -0.955
   48   1HE   LYS   5          2HE       LYS   5  -4.613  -0.279  -0.279
   49   2HE   LYS   5          1HE       LYS   5  -5.155  -1.960  -1.960
   50   1HZ   LYS   5          1HZ       LYS   5  -4.252  -2.045  -2.045
   51   2HZ   LYS   5          3HZ       LYS   5  -4.705  -0.411  -0.411
   52   3HZ   LYS   5          2HZ       LYS   5  -5.857  -1.620  -1.620
   53    H    ALA   6           H        ALA   6  -0.703  -0.866  -0.866
   54    HA   ALA   6           HA       ALA   6   0.711   1.600   1.600
   55   1HB   ALA   6          1HB       ALA   6   0.282  -0.731  -0.731
   56   2HB   ALA   6          3HB       ALA   6   1.447   0.557   0.557
   57   3HB   ALA   6          2HB       ALA   6   1.641  -0.496  -0.496
   58    H    VAL   7           H        VAL   7  -1.967   0.195   0.195
   59    HA   VAL   7           HA       VAL   7  -2.408   2.120   2.120
   60    HB   VAL   7           HB       VAL   7  -3.726  -0.055  -0.055
   61   1HG1  VAL   7          3HG1      VAL   7  -5.464   2.319   2.319
   62   2HG1  VAL   7          2HG1      VAL   7  -6.089   0.677   0.677
   63   3HG1  VAL   7          1HG1      VAL   7  -5.346   1.478   1.478
   64   1HG2  VAL   7          3HG2      VAL   7  -3.027  -0.029  -0.029
   65   2HG2  VAL   7          2HG2      VAL   7  -4.742  -0.404  -0.404
   66   3HG2  VAL   7          1HG2      VAL   7  -4.236   1.210   1.210
   67    H    VAL   8           H        VAL   8  -3.826   2.038   2.038
   68    HA   VAL   8           HA       VAL   8  -5.182   4.482   4.482
   69    HB   VAL   8           HB       VAL   8  -3.433   3.077   3.077
   70   1HG1  VAL   8          3HG1      VAL   8  -5.330   5.412   5.412
   71   2HG1  VAL   8          2HG1      VAL   8  -4.634   4.467   4.467
   72   3HG1  VAL   8          1HG1      VAL   8  -3.587   5.422   5.422
   73   1HG2  VAL   8          2HG2      VAL   8  -5.976   2.517   2.517
   74   2HG2  VAL   8          1HG2      VAL   8  -5.240   1.771   1.771
   75   3HG2  VAL   8          3HG2      VAL   8  -6.281   3.182   3.182
   76    H    ALA   9           H        ALA   9  -1.731   3.817   3.817
   77    HA   ALA   9           HA       ALA   9  -0.971   6.615   6.615
   78   1HB   ALA   9          1HB       ALA   9   0.131   4.086   4.086
   79   2HB   ALA   9          3HB       ALA   9   1.092   4.740   4.740
   80   3HB   ALA   9          2HB       ALA   9   0.971   5.624   5.624
   81    H    LEU  10           H        LEU  10  -1.385   4.365   4.365
   82    HA   LEU  10           HA       LEU  10   0.141   5.898   5.898
   83   1HB   LEU  10          2HB       LEU  10  -2.107   3.885   3.885
   84   2HB   LEU  10          1HB       LEU  10  -1.068   4.463   4.463
   85    HG   LEU  10           HG       LEU  10  -0.340   2.722   2.722
   86   1HD1  LEU  10          1HD1      LEU  10  -1.071   1.886   1.886
   87   2HD1  LEU  10          3HD1      LEU  10   0.494   2.484   2.484
   88   3HD1  LEU  10          2HD1      LEU  10   0.417   1.222   1.222
   89   1HD2  LEU  10          2HD2      LEU  10   1.575   4.278   4.278
   90   2HD2  LEU  10          1HD2      LEU  10   1.304   4.571   4.571
   91   3HD2  LEU  10          3HD2      LEU  10   2.039   3.057   3.057
   92    H    ILE  11           H        ILE  11  -3.162   6.012   6.012
   93    HA   ILE  11           HA       ILE  11  -4.160   7.744   7.744
   94    HB   ILE  11           HB       ILE  11  -6.137   7.674   7.674
   95   1HG1  ILE  11          2HG1      ILE  11  -6.182   7.748   7.748
   96   2HG1  ILE  11          1HG1      ILE  11  -4.483   8.192   8.192
   97   1HG2  ILE  11          1HG2      ILE  11  -5.120   5.308   5.308
   98   2HG2  ILE  11          3HG2      ILE  11  -4.769   5.678   5.678
   99   3HG2  ILE  11          2HG2      ILE  11  -6.437   5.661   5.661
  100   1HD1  ILE  11          2HD1      ILE  11  -5.847   9.784   9.784
  101   2HD1  ILE  11          1HD1      ILE  11  -6.810   9.841   9.841
  102   3HD1  ILE  11          3HD1      ILE  11  -5.113  10.318  10.318
  103    H    ASP  12           H        ASP  12  -2.664   8.179   8.179
  104    HA   ASP  12           HA       ASP  12  -2.749  11.043  11.043
  105   1HB   ASP  12          2HB       ASP  12  -1.973   9.007   9.007
  106   2HB   ASP  12          1HB       ASP  12  -0.393   9.488   9.488
  107    H    VAL  13           H        VAL  13  -0.482   8.683   8.683
  108    HA   VAL  13           HA       VAL  13   1.523  10.453  10.453
  109    HB   VAL  13           HB       VAL  13   0.492   7.803   7.803
  110   1HG1  VAL  13          2HG1      VAL  13   2.674   9.596   9.596
  111   2HG1  VAL  13          1HG1      VAL  13   3.253   7.984   7.984
  112   3HG1  VAL  13          3HG1      VAL  13   2.056   8.188   8.188
  113   1HG2  VAL  13          1HG2      VAL  13   1.472   8.352   8.352
  114   2HG2  VAL  13          3HG2      VAL  13   1.546   6.778   6.778
  115   3HG2  VAL  13          2HG2      VAL  13   2.925   7.871   7.871
  116    H    PHE  14           H        PHE  14  -1.351   9.066   9.066
  117    HA   PHE  14           HA       PHE  14  -0.941  10.565  10.565
  118   1HB   PHE  14          2HB       PHE  14  -2.995   8.851   8.851
  119   2HB   PHE  14          1HB       PHE  14  -3.743  10.395  10.395
  120    HD1  PHE  14           HD1      PHE  14  -2.983  11.445  11.445
  121    HD2  PHE  14           HD2      PHE  14  -2.463   7.339   7.339
  122    HE1  PHE  14           HE1      PHE  14  -2.712  10.864  10.864
  123    HE2  PHE  14           HE2      PHE  14  -2.216   6.737   6.737
  124    HZ   PHE  14           HZ       PHE  14  -2.334   8.504   8.504
  125    H    HIS  15           H        HIS  15  -2.747  11.420  11.420
  126    HA   HIS  15           HA       HIS  15  -3.914  13.834  13.834
  127   1HB   HIS  15          2HB       HIS  15  -3.768  12.745  12.745
  128   2HB   HIS  15          1HB       HIS  15  -2.121  13.358  13.358
  129    HD1  HIS  15           HD1      HIS  15  -5.309  14.212  14.212
  130    HD2  HIS  15           HD2      HIS  15  -2.321  16.432  16.432
  131    HE1  HIS  15           HE1      HIS  15  -5.775  16.643  16.643
  132    H    GLN  16           H        GLN  16  -0.482  13.623  13.623
  133    HA   GLN  16           HA       GLN  16   0.151  16.317  16.317
  134   1HB   GLN  16          2HB       GLN  16   2.059  13.989  13.989
  135   2HB   GLN  16          1HB       GLN  16   2.344  15.690  15.690
  136   1HG   GLN  16          2HG       GLN  16   0.399  15.378  15.378
  137   2HG   GLN  16          1HG       GLN  16   0.782  13.663  13.663
  138   1HE2  GLN  16          2HE2      GLN  16   3.419  16.165  16.165
  139   2HE2  GLN  16          1HE2      GLN  16   2.120  16.808  16.808
  140    H    TYR  17           H        TYR  17   1.082  13.121  13.121
  141    HA   TYR  17           HA       TYR  17   2.402  13.751  13.751
  142   1HB   TYR  17          2HB       TYR  17   0.632  11.512  11.512
  143   2HB   TYR  17          1HB       TYR  17   1.354  11.436  11.436
  144    HD1  TYR  17           HD1      TYR  17   3.507  13.385  13.385
  145    HD2  TYR  17           HD2      TYR  17   2.316   9.314   9.314
  146    HE1  TYR  17           HE1      TYR  17   5.668  12.612  12.612
  147    HE2  TYR  17           HE2      TYR  17   4.467   8.547   8.547
  148    HH   TYR  17           HH       TYR  17   6.694  10.717  10.717
  149    H    SER  18           H        SER  18  -1.113  13.817  13.817
  150    HA   SER  18           HA       SER  18  -1.597  14.226  14.226
  151   1HB   SER  18          2HB       SER  18  -3.063  13.312  13.312
  152   2HB   SER  18          1HB       SER  18  -3.938  14.638  14.638
  153    HG   SER  18           HG       SER  18  -2.899  12.905  12.905
  154    H    GLY  19           H        GLY  19  -2.015  16.063  16.063
  155   1HA   GLY  19          2HA       GLY  19  -2.005  18.544  18.544
  156   2HA   GLY  19          1HA       GLY  19  -3.174  18.343  18.343
  157    H    ARG  20           H        ARG  20   0.335  18.472  18.472
  158    HA   ARG  20           HA       ARG  20   0.708  19.400  19.400
  159   1HB   ARG  20          2HB       ARG  20   3.076  18.602  18.602
  160   2HB   ARG  20          1HB       ARG  20   1.859  17.328  17.328
  161   1HG   ARG  20          2HG       ARG  20   2.055  17.043  17.043
  162   2HG   ARG  20          1HG       ARG  20   2.455  18.738  18.738
  163   1HD   ARG  20          2HD       ARG  20   4.619  17.920  17.920
  164   2HD   ARG  20          1HD       ARG  20   4.254  16.462  16.462
  165    HE   ARG  20           HE       ARG  20   4.040  18.384  18.384
  166   1HH1  ARG  20          2HH1      ARG  20   5.991  19.267  19.267
  167   2HH1  ARG  20          1HH1      ARG  20   7.470  19.320  19.320
  168   1HH2  ARG  20          1HH2      ARG  20   6.116  17.822  17.822
  169   2HH2  ARG  20          2HH2      ARG  20   7.541  18.500  18.500
  170    H    GLU  21           H        GLU  21   0.717  20.404  20.404
  171    HA   GLU  21           HA       GLU  21   2.006  22.964  22.964
  172   1HB   GLU  21          2HB       GLU  21   3.839  21.554  21.554
  173   2HB   GLU  21          1HB       GLU  21   2.930  21.116  21.116
  174   1HG   GLU  21          2HG       GLU  21   3.026  23.977  23.977
  175   2HG   GLU  21          1HG       GLU  21   4.664  23.340  23.340
  176    H    GLY  22           H        GLY  22   0.704  21.126  21.126
  177   1HA   GLY  22          2HA       GLY  22  -1.353  23.154  23.154
  178   2HA   GLY  22          1HA       GLY  22  -0.103  23.134  23.134
  179    H    ASP  23           H        ASP  23  -2.120  20.748  20.748
  180    HA   ASP  23           HA       ASP  23  -3.093  19.647  19.647
  181   1HB   ASP  23          2HB       ASP  23  -1.026  18.364  18.364
  182   2HB   ASP  23          1HB       ASP  23  -2.178  17.336  17.336
  183    H    LYS  24           H        LYS  24  -4.880  18.173  18.173
  184    HA   LYS  24           HA       LYS  24  -6.210  18.561  18.561
  185   1HB   LYS  24          2HB       LYS  24  -6.908  17.779  17.779
  186   2HB   LYS  24          1HB       LYS  24  -7.928  17.113  17.113
  187   1HG   LYS  24          2HG       LYS  24  -7.246  20.055  20.055
  188   2HG   LYS  24          1HG       LYS  24  -8.705  19.346  19.346
  189   1HD   LYS  24          2HD       LYS  24  -8.453  18.426  18.426
  190   2HD   LYS  24          1HD       LYS  24  -8.277  20.180  20.180
  191   1HE   LYS  24          2HE       LYS  24 -10.368  20.244  20.244
  192   2HE   LYS  24          1HE       LYS  24 -10.603  18.541  18.541
  193   1HZ   LYS  24          2HZ       LYS  24 -10.070  20.632  20.632
  194   2HZ   LYS  24          1HZ       LYS  24 -11.650  20.267  20.267
  195   3HZ   LYS  24          3HZ       LYS  24 -10.703  19.072  19.072
  196    H    HIS  25           H        HIS  25  -6.677  15.642  15.642
  197    HA   HIS  25           HA       HIS  25  -5.437  14.038  14.038
  198   1HB   HIS  25          2HB       HIS  25  -8.014  13.703  13.703
  199   2HB   HIS  25          1HB       HIS  25  -7.332  12.439  12.439
  200    HD1  HIS  25           HD1      HIS  25 -10.039  13.569  13.569
  201    HD2  HIS  25           HD2      HIS  25  -6.445  15.156  15.156
  202    HE1  HIS  25           HE1      HIS  25 -10.583  14.805  14.805
  203    H    LYS  26           H        LYS  26  -3.760  14.529  14.529
  204    HA   LYS  26           HA       LYS  26  -3.549  11.896  11.896
  205   1HB   LYS  26          2HB       LYS  26  -4.079  14.514  14.514
  206   2HB   LYS  26          1HB       LYS  26  -3.110  13.283  13.283
  207   1HG   LYS  26          2HG       LYS  26  -5.025  12.271  12.271
  208   2HG   LYS  26          1HG       LYS  26  -5.294  11.897  11.897
  209   1HD   LYS  26          2HD       LYS  26  -5.995  14.611  14.611
  210   2HD   LYS  26          1HD       LYS  26  -6.723  13.739  13.739
  211   1HE   LYS  26          2HE       LYS  26  -7.274  12.025  12.025
  212   2HE   LYS  26          1HE       LYS  26  -7.361  13.593  13.593
  213   1HZ   LYS  26          2HZ       LYS  26  -8.594  14.267  14.267
  214   2HZ   LYS  26          1HZ       LYS  26  -8.929  12.604  12.604
  215   3HZ   LYS  26          3HZ       LYS  26  -9.438  13.499  13.499
  216    H    LEU  27           H        LEU  27  -1.342  11.979  11.979
  217    HA   LEU  27           HA       LEU  27   0.587  13.753  13.753
  218   1HB   LEU  27          2HB       LEU  27   0.415  10.777  10.777
  219   2HB   LEU  27          1HB       LEU  27   2.022  11.504  11.504
  220    HG   LEU  27           HG       LEU  27   0.368  12.789  12.789
  221   1HD1  LEU  27          2HD1      LEU  27  -0.538  10.262  10.262
  222   2HD1  LEU  27          1HD1      LEU  27   0.820   9.953   9.953
  223   3HD1  LEU  27          3HD1      LEU  27  -0.459  11.064  11.064
  224   1HD2  LEU  27          2HD2      LEU  27   2.975  12.361  12.361
  225   2HD2  LEU  27          1HD2      LEU  27   2.284  12.535  12.535
  226   3HD2  LEU  27          3HD2      LEU  27   2.628  10.931  10.931
  227    H    LYS  28           H        LYS  28   1.602  14.937  14.937
  228    HA   LYS  28           HA       LYS  28   1.852  13.958  13.958
  229   1HB   LYS  28          2HB       LYS  28   1.439  16.387  16.387
  230   2HB   LYS  28          1HB       LYS  28   3.151  16.469  16.469
  231   1HG   LYS  28          2HG       LYS  28   2.198  15.480  15.480
  232   2HG   LYS  28          1HG       LYS  28   0.773  16.375  16.375
  233   1HD   LYS  28          2HD       LYS  28   3.349  17.807  17.807
  234   2HD   LYS  28          1HD       LYS  28   2.839  17.508  17.508
  235   1HE   LYS  28          2HE       LYS  28   0.906  18.641  18.641
  236   2HE   LYS  28          1HE       LYS  28   1.995  19.693  19.693
  237   1HZ   LYS  28          1HZ       LYS  28   1.215  18.431  18.431
  238   2HZ   LYS  28          3HZ       LYS  28  -0.017  17.783  17.783
  239   3HZ   LYS  28          2HZ       LYS  28   0.064  19.459  19.459
  240    H    LYS  29           H        LYS  29   4.026  14.100  14.100
  241    HA   LYS  29           HA       LYS  29   6.013  12.496  12.496
  242   1HB   LYS  29          2HB       LYS  29   6.529  15.104  15.104
  243   2HB   LYS  29          1HB       LYS  29   7.481  13.623  13.623
  244   1HG   LYS  29          2HG       LYS  29   4.781  12.940  12.940
  245   2HG   LYS  29          1HG       LYS  29   5.197  14.363  14.363
  246   1HD   LYS  29          2HD       LYS  29   7.339  12.373  12.373
  247   2HD   LYS  29          1HD       LYS  29   5.850  11.752  11.752
  248   1HE   LYS  29          2HE       LYS  29   6.695  12.732  12.732
  249   2HE   LYS  29          1HE       LYS  29   5.983  14.199  14.199
  250   1HZ   LYS  29          2HZ       LYS  29   8.220  14.170  14.170
  251   2HZ   LYS  29          1HZ       LYS  29   8.776  13.313  13.313
  252   3HZ   LYS  29          3HZ       LYS  29   8.141  14.876  14.876
  253    H    SER  30           H        SER  30   5.528  15.910  15.910
  254    HA   SER  30           HA       SER  30   7.994  16.151  16.151
  255   1HB   SER  30          2HB       SER  30   7.127  18.320  18.320
  256   2HB   SER  30          1HB       SER  30   6.525  17.950  17.950
  257    HG   SER  30           HG       SER  30   5.007  18.740  18.740
  258    H    GLU  31           H        GLU  31   4.536  15.849  15.849
  259    HA   GLU  31           HA       GLU  31   4.991  15.635  15.635
  260   1HB   GLU  31          2HB       GLU  31   2.857  15.057  15.057
  261   2HB   GLU  31          1HB       GLU  31   2.731  14.171  14.171
  262   1HG   GLU  31          2HG       GLU  31   2.637  16.173  16.173
  263   2HG   GLU  31          1HG       GLU  31   3.188  17.157  17.157
  264    H    LEU  32           H        LEU  32   4.499  13.123  13.123
  265    HA   LEU  32           HA       LEU  32   4.915  10.821  10.821
  266   1HB   LEU  32          2HB       LEU  32   4.288  11.059  11.059
  267   2HB   LEU  32          1HB       LEU  32   5.997  11.342  11.342
  268    HG   LEU  32           HG       LEU  32   6.607   9.160   9.160
  269   1HD1  LEU  32          1HD1      LEU  32   3.763   9.048   9.048
  270   2HD1  LEU  32          3HD1      LEU  32   4.793   7.620   7.620
  271   3HD1  LEU  32          2HD1      LEU  32   5.254   8.955   8.955
  272   1HD2  LEU  32          3HD2      LEU  32   5.303   9.433   9.433
  273   2HD2  LEU  32          2HD2      LEU  32   5.564   7.809   7.809
  274   3HD2  LEU  32          1HD2      LEU  32   4.001   8.597   8.597
  275    H    LYS  33           H        LYS  33   7.251  13.060  13.060
  276    HA   LYS  33           HA       LYS  33   9.699  11.810  11.810
  277   1HB   LYS  33          2HB       LYS  33   8.882  14.246  14.246
  278   2HB   LYS  33          1HB       LYS  33   9.367  14.662  14.662
  279   1HG   LYS  33          2HG       LYS  33  11.074  13.420  13.420
  280   2HG   LYS  33          1HG       LYS  33  11.307  14.978  14.978
  281   1HD   LYS  33          2HD       LYS  33  11.640  13.763  13.763
  282   2HD   LYS  33          1HD       LYS  33  11.566  12.240  12.240
  283   1HE   LYS  33          2HE       LYS  33  13.488  14.374  14.374
  284   2HE   LYS  33          1HE       LYS  33  13.918  13.327  13.327
  285   1HZ   LYS  33          1HZ       LYS  33  12.943  11.508  11.508
  286   2HZ   LYS  33          3HZ       LYS  33  13.427  12.617  12.617
  287   3HZ   LYS  33          2HZ       LYS  33  14.569  11.989  11.989
  288    H    GLU  34           H        GLU  34   8.086  14.036  14.036
  289    HA   GLU  34           HA       GLU  34   9.667  13.520  13.520
  290   1HB   GLU  34          2HB       GLU  34   6.891  14.353  14.353
  291   2HB   GLU  34          1HB       GLU  34   7.091  13.656  13.656
  292   1HG   GLU  34          2HG       GLU  34   7.527  15.971  15.971
  293   2HG   GLU  34          1HG       GLU  34   9.124  15.222  15.222
  294    H    LEU  35           H        LEU  35   6.603  11.886  11.886
  295    HA   LEU  35           HA       LEU  35   6.454   9.789   9.789
  296   1HB   LEU  35          2HB       LEU  35   5.247  10.510  10.510
  297   2HB   LEU  35          1HB       LEU  35   6.241   9.218   9.218
  298    HG   LEU  35           HG       LEU  35   4.961   8.415   8.415
  299   1HD1  LEU  35          1HD1      LEU  35   3.302  10.108  10.108
  300   2HD1  LEU  35          3HD1      LEU  35   3.111   8.962   8.962
  301   3HD1  LEU  35          2HD1      LEU  35   2.677   8.488   8.488
  302   1HD2  LEU  35          3HD2      LEU  35   6.066   7.087   7.087
  303   2HD2  LEU  35          2HD2      LEU  35   4.602   6.434   6.434
  304   3HD2  LEU  35          1HD2      LEU  35   4.504   7.283   7.283
  305    H    ILE  36           H        ILE  36   8.813  10.085  10.085
  306    HA   ILE  36           HA       ILE  36   9.829   7.355   7.355
  307    HB   ILE  36           HB       ILE  36  10.165   9.534   9.534
  308   1HG1  ILE  36          2HG1      ILE  36  10.213   6.781   6.781
  309   2HG1  ILE  36          1HG1      ILE  36   8.864   7.046   7.046
  310   1HG2  ILE  36          1HG2      ILE  36  12.203   7.381   7.381
  311   2HG2  ILE  36          3HG2      ILE  36  12.044   8.102   8.102
  312   3HG2  ILE  36          2HG2      ILE  36  12.476   9.109   9.109
  313   1HD1  ILE  36          1HD1      ILE  36   8.866   9.322   9.322
  314   2HD1  ILE  36          3HD1      ILE  36   9.236   8.017   8.017
  315   3HD1  ILE  36          2HD1      ILE  36   7.768   7.952   7.952
  316    H    ASN  37           H        ASN  37  11.025  10.724  10.724
  317    HA   ASN  37           HA       ASN  37  13.588   9.981   9.981
  318   1HB   ASN  37          2HB       ASN  37  13.583  11.957  11.957
  319   2HB   ASN  37          1HB       ASN  37  12.017  12.454  12.454
  320   1HD2  ASN  37          2HD2      ASN  37  13.582  14.504  14.504
  321   2HD2  ASN  37          1HD2      ASN  37  12.305  14.277  14.277
  322    H    ASN  38           H        ASN  38  10.430  10.427  10.427
  323    HA   ASN  38           HA       ASN  38  11.404  11.116  11.116
  324   1HB   ASN  38          2HB       ASN  38   8.777  10.704  10.704
  325   2HB   ASN  38          1HB       ASN  38   8.823  10.693  10.693
  326   1HD2  ASN  38          2HD2      ASN  38   8.510  14.225  14.225
  327   2HD2  ASN  38          1HD2      ASN  38   7.797  12.773  12.773
  328    H    GLU  39           H        GLU  39  10.949   8.286   8.286
  329    HA   GLU  39           HA       GLU  39  10.880   6.616   6.616
  330   1HB   GLU  39          2HB       GLU  39   9.690   6.092   6.092
  331   2HB   GLU  39          1HB       GLU  39   9.551   5.041   5.041
  332   1HG   GLU  39          2HG       GLU  39   8.016   6.390   6.390
  333   2HG   GLU  39          1HG       GLU  39   8.739   7.868   7.868
  334    H    LEU  40           H        LEU  40  11.747   6.525   6.525
  335    HA   LEU  40           HA       LEU  40  13.862   4.517   4.517
  336   1HB   LEU  40          2HB       LEU  40  12.918   5.592   5.592
  337   2HB   LEU  40          1HB       LEU  40  13.766   4.076   4.076
  338    HG   LEU  40           HG       LEU  40  11.022   4.723   4.723
  339   1HD1  LEU  40          1HD1      LEU  40  11.341   4.470   4.470
  340   2HD1  LEU  40          3HD1      LEU  40  11.542   2.759   2.759
  341   3HD1  LEU  40          2HD1      LEU  40  10.043   3.586   3.586
  342   1HD2  LEU  40          1HD2      LEU  40  12.410   3.042   3.042
  343   2HD2  LEU  40          3HD2      LEU  40  10.964   2.332   2.332
  344   3HD2  LEU  40          2HD2      LEU  40  12.537   2.102   2.102
  345    H    SER  41           H        SER  41  15.020   6.468   6.468
  346    HA   SER  41           HA       SER  41  16.086   8.633   8.633
  347   1HB   SER  41          2HB       SER  41  16.800   7.209   7.209
  348   2HB   SER  41          1HB       SER  41  17.816   8.513   8.513
  349    HG   SER  41           HG       SER  41  15.683   9.669   9.669
  350    H    HIS  42           H        HIS  42  17.117   5.285   5.285
  351    HA   HIS  42           HA       HIS  42  19.810   5.599   5.599
  352   1HB   HIS  42          2HB       HIS  42  17.829   3.426   3.426
  353   2HB   HIS  42          1HB       HIS  42  19.169   3.045   3.045
  354    HD1  HIS  42           HD1      HIS  42  21.637   3.665   3.665
  355    HD2  HIS  42           HD2      HIS  42  18.511   3.281   3.281
  356    HE1  HIS  42           HE1      HIS  42  22.708   3.355   3.355
  357    H    PHE  43           H        PHE  43  16.731   4.706   4.706
  358    HA   PHE  43           HA       PHE  43  17.819   4.387   4.387
  359   1HB   PHE  43          2HB       PHE  43  15.197   4.561   4.561
  360   2HB   PHE  43          1HB       PHE  43  15.180   4.988   4.988
  361    HD1  PHE  43           HD1      PHE  43  17.854   2.696   2.696
  362    HD2  PHE  43           HD2      PHE  43  13.651   2.912   2.912
  363    HE1  PHE  43           HE1      PHE  43  17.850   0.295   0.295
  364    HE2  PHE  43           HE2      PHE  43  13.657   0.511   0.511
  365    HZ   PHE  43           HZ       PHE  43  15.760  -0.798  -0.798
  366    H    LEU  44           H        LEU  44  17.337   7.162   7.162
  367    HA   LEU  44           HA       LEU  44  16.442   9.178   9.178
  368   1HB   LEU  44          2HB       LEU  44  17.415   9.135   9.135
  369   2HB   LEU  44          1HB       LEU  44  18.950   9.487   9.487
  370    HG   LEU  44           HG       LEU  44  17.722  11.396  11.396
  371   1HD1  LEU  44          1HD1      LEU  44  15.533  10.166  10.166
  372   2HD1  LEU  44          3HD1      LEU  44  15.798  11.647  11.647
  373   3HD1  LEU  44          2HD1      LEU  44  15.530  11.731  11.731
  374   1HD2  LEU  44          2HD2      LEU  44  18.636  11.161  11.161
  375   2HD2  LEU  44          1HD2      LEU  44  19.041  12.376  12.376
  376   3HD2  LEU  44          3HD2      LEU  44  17.559  12.532  12.532
  377    H    GLU  45           H        GLU  45  19.483   7.455   7.455
  378    HA   GLU  45           HA       GLU  45  20.800   9.003   9.003
  379   1HB   GLU  45          2HB       GLU  45  21.260   6.769   6.769
  380   2HB   GLU  45          1HB       GLU  45  22.040   6.533   6.533
  381   1HG   GLU  45          2HG       GLU  45  23.166   8.689   8.689
  382   2HG   GLU  45          1HG       GLU  45  22.310   9.041   9.041
  383    H    GLU  46           H        GLU  46  18.895   6.047   6.047
  384    HA   GLU  46           HA       GLU  46  17.915   4.660   4.660
  385   1HB   GLU  46          2HB       GLU  46  16.741   6.049   6.049
  386   2HB   GLU  46          1HB       GLU  46  17.737   7.367   7.367
  387   1HG   GLU  46          2HG       GLU  46  19.430   6.660   6.660
  388   2HG   GLU  46          1HG       GLU  46  18.080   5.764   5.764
  389    H    ILE  47           H        ILE  47  21.094   5.265   5.265
  390    HA   ILE  47           HA       ILE  47  21.841   4.213   4.213
  391    HB   ILE  47           HB       ILE  47  22.929   6.087   6.087
  392   1HG1  ILE  47          2HG1      ILE  47  23.980   5.149   5.149
  393   2HG1  ILE  47          1HG1      ILE  47  25.194   5.431   5.431
  394   1HG2  ILE  47          2HG2      ILE  47  23.854   3.601   3.601
  395   2HG2  ILE  47          1HG2      ILE  47  24.681   5.155   5.155
  396   3HG2  ILE  47          3HG2      ILE  47  23.013   4.996   4.996
  397   1HD1  ILE  47          3HD1      ILE  47  24.588   2.916   2.916
  398   2HD1  ILE  47          2HD1      ILE  47  24.116   2.847   2.847
  399   3HD1  ILE  47          1HD1      ILE  47  25.770   3.274   3.274
  400    H    LYS  48           H        LYS  48  21.459   3.200   3.200
  401    HA   LYS  48           HA       LYS  48  23.026   0.845   0.845
  402   1HB   LYS  48          2HB       LYS  48  20.644   2.017   2.017
  403   2HB   LYS  48          1HB       LYS  48  20.848   0.274   0.274
  404   1HG   LYS  48          2HG       LYS  48  22.035   1.356   1.356
  405   2HG   LYS  48          1HG       LYS  48  23.232   0.701   0.701
  406   1HD   LYS  48          2HD       LYS  48  24.074   2.842   2.842
  407   2HD   LYS  48          1HD       LYS  48  23.003   3.108   3.108
  408   1HE   LYS  48          2HE       LYS  48  22.088   4.754   4.754
  409   2HE   LYS  48          1HE       LYS  48  21.296   3.424   3.424
  410   1HZ   LYS  48          3HZ       LYS  48  24.063   4.281   4.281
  411   2HZ   LYS  48          2HZ       LYS  48  22.719   4.968   4.968
  412   3HZ   LYS  48          1HZ       LYS  48  23.039   3.306   3.306
  413    H    GLU  49           H        GLU  49  20.394   1.510   1.510
  414    HA   GLU  49           HA       GLU  49  20.223  -1.345  -1.345
  415   1HB   GLU  49          2HB       GLU  49  17.676  -1.067  -1.067
  416   2HB   GLU  49          1HB       GLU  49  18.531  -1.197  -1.197
  417   1HG   GLU  49          2HG       GLU  49  18.507   1.229   1.229
  418   2HG   GLU  49          1HG       GLU  49  17.758   1.422   1.422
  419    H    GLN  50           H        GLN  50  20.986  -0.830  -0.830
  420    HA   GLN  50           HA       GLN  50  20.189   1.427   1.427
  421   1HB   GLN  50          2HB       GLN  50  21.773  -1.010  -1.010
  422   2HB   GLN  50          1HB       GLN  50  20.959  -0.656  -0.656
  423   1HG   GLN  50          2HG       GLN  50  22.074   1.751   1.751
  424   2HG   GLN  50          1HG       GLN  50  23.312   0.527   0.527
  425   1HE2  GLN  50          2HE2      GLN  50  21.189   1.857   1.857
  426   2HE2  GLN  50          1HE2      GLN  50  20.407   1.760   1.760
  427    H    GLU  51           H        GLU  51  19.487  -1.944  -1.944
  428    HA   GLU  51           HA       GLU  51  17.421  -1.570  -1.570
  429   1HB   GLU  51          2HB       GLU  51  18.405  -3.736  -3.736
  430   2HB   GLU  51          1HB       GLU  51  17.561  -3.637  -3.637
  431   1HG   GLU  51          2HG       GLU  51  15.404  -3.406  -3.406
  432   2HG   GLU  51          1HG       GLU  51  16.367  -3.938  -3.938
  433    H    VAL  52           H        VAL  52  17.227  -1.193  -1.193
  434    HA   VAL  52           HA       VAL  52  14.313  -1.016  -1.016
  435    HB   VAL  52           HB       VAL  52  16.374  -0.088  -0.088
  436   1HG1  VAL  52          2HG1      VAL  52  13.526  -0.059  -0.059
  437   2HG1  VAL  52          1HG1      VAL  52  14.011  -1.330  -1.330
  438   3HG1  VAL  52          3HG1      VAL  52  14.581   0.315   0.315
  439   1HG2  VAL  52          2HG2      VAL  52  16.768  -2.434  -2.434
  440   2HG2  VAL  52          1HG2      VAL  52  16.267  -2.353  -2.353
  441   3HG2  VAL  52          3HG2      VAL  52  15.108  -2.826  -2.826
  442    H    VAL  53           H        VAL  53  17.061   1.248   1.248
  443    HA   VAL  53           HA       VAL  53  15.774   3.720   3.720
  444    HB   VAL  53           HB       VAL  53  17.902   2.845   2.845
  445   1HG1  VAL  53          3HG1      VAL  53  16.555   5.341   5.341
  446   2HG1  VAL  53          2HG1      VAL  53  18.174   5.565   5.565
  447   3HG1  VAL  53          1HG1      VAL  53  17.970   4.960   4.960
  448   1HG2  VAL  53          1HG2      VAL  53  17.855   3.177   3.177
  449   2HG2  VAL  53          3HG2      VAL  53  19.188   2.647   2.647
  450   3HG2  VAL  53          2HG2      VAL  53  18.947   4.365   4.365
  451    H    ASP  54           H        ASP  54  15.761   1.442   1.442
  452    HA   ASP  54           HA       ASP  54  14.298   3.115   3.115
  453   1HB   ASP  54          2HB       ASP  54  15.546   1.396   1.396
  454   2HB   ASP  54          1HB       ASP  54  15.172   0.258   0.258
  455    H    LYS  55           H        LYS  55  13.518   0.523   0.523
  456    HA   LYS  55           HA       LYS  55  10.650   0.573   0.573
  457   1HB   LYS  55          2HB       LYS  55  12.552  -0.601  -0.601
  458   2HB   LYS  55          1HB       LYS  55  10.817  -0.697  -0.697
  459   1HG   LYS  55          2HG       LYS  55  11.963  -2.650  -2.650
  460   2HG   LYS  55          1HG       LYS  55  10.447  -2.015  -2.015
  461   1HD   LYS  55          2HD       LYS  55  11.766  -0.551  -0.551
  462   2HD   LYS  55          1HD       LYS  55  13.236  -1.333  -1.333
  463   1HE   LYS  55          2HE       LYS  55  12.607  -2.495  -2.495
  464   2HE   LYS  55          1HE       LYS  55  12.131  -3.558  -3.558
  465   1HZ   LYS  55          2HZ       LYS  55  10.242  -1.494  -1.494
  466   2HZ   LYS  55          1HZ       LYS  55  10.413  -2.861  -2.861
  467   3HZ   LYS  55          3HZ       LYS  55   9.938  -3.044  -3.044
  468    H    VAL  56           H        VAL  56  12.449   1.409   1.409
  469    HA   VAL  56           HA       VAL  56  10.550   2.737   2.737
  470    HB   VAL  56           HB       VAL  56  13.447   3.427   3.427
  471   1HG1  VAL  56          2HG1      VAL  56  11.418   4.843   4.843
  472   2HG1  VAL  56          1HG1      VAL  56  12.900   4.460   4.460
  473   3HG1  VAL  56          3HG1      VAL  56  12.973   5.412   5.412
  474   1HG2  VAL  56          1HG2      VAL  56  12.417   1.251   1.251
  475   2HG2  VAL  56          3HG2      VAL  56  13.953   1.989   1.989
  476   3HG2  VAL  56          2HG2      VAL  56  12.494   2.371   2.371
  477    H    MET  57           H        MET  57  12.561   4.294   4.294
  478    HA   MET  57           HA       MET  57  11.129   6.813   6.813
  479   1HB   MET  57          2HB       MET  57  12.972   5.532   5.532
  480   2HB   MET  57          1HB       MET  57  12.483   7.225   7.225
  481   1HG   MET  57          2HG       MET  57  13.350   7.226   7.226
  482   2HG   MET  57          1HG       MET  57  14.253   5.802   5.802
  483   1HE   MET  57          2HE       MET  57  14.972   8.664   8.664
  484   2HE   MET  57          1HE       MET  57  15.878   9.705   9.705
  485   3HE   MET  57          3HE       MET  57  14.111   9.711   9.711
  486    H    GLU  58           H        GLU  58  10.986   3.963   3.963
  487    HA   GLU  58           HA       GLU  58   9.340   4.797   4.797
  488   1HB   GLU  58          2HB       GLU  58   9.944   2.583   2.583
  489   2HB   GLU  58          1HB       GLU  58   9.670   2.315   2.315
  490   1HG   GLU  58          2HG       GLU  58   8.006   1.132   1.132
  491   2HG   GLU  58          1HG       GLU  58   7.257   2.290   2.290
  492    H    THR  59           H        THR  59   8.189   3.750   3.750
  493    HA   THR  59           HA       THR  59   5.430   4.523   4.523
  494    HB   THR  59           HB       THR  59   6.908   3.658   3.658
  495    HG1  THR  59           HG1      THR  59   5.483   2.394   2.394
  496   1HG2  THR  59          1HG2      THR  59   4.705   5.038   5.038
  497   2HG2  THR  59          3HG2      THR  59   3.922   3.578   3.578
  498   3HG2  THR  59          2HG2      THR  59   4.858   3.523   3.523
  499    H    LEU  60           H        LEU  60   7.980   5.741   5.741
  500    HA   LEU  60           HA       LEU  60   6.655   7.910   7.910
  501   1HB   LEU  60          2HB       LEU  60   8.942   7.131   7.131
  502   2HB   LEU  60          1HB       LEU  60   9.496   7.724   7.724
  503    HG   LEU  60           HG       LEU  60   9.058  10.002  10.002
  504   1HD1  LEU  60          3HD1      LEU  60   7.349   8.705   8.705
  505   2HD1  LEU  60          2HD1      LEU  60   8.248  10.104  10.104
  506   3HD1  LEU  60          1HD1      LEU  60   7.165  10.269  10.269
  507   1HD2  LEU  60          1HD2      LEU  60  10.583   8.264   8.264
  508   2HD2  LEU  60          3HD2      LEU  60  11.113   9.682   9.682
  509   3HD2  LEU  60          2HD2      LEU  60  10.219   9.883   9.883
  510    H    ASP  61           H        ASP  61   8.050   7.659   7.659
  511    HA   ASP  61           HA       ASP  61   7.780  10.444  10.444
  512   1HB   ASP  61          2HB       ASP  61   8.363   7.828   7.828
  513   2HB   ASP  61          1HB       ASP  61   7.695   9.050   9.050
  514    H    SER  62           H        SER  62   5.632   7.638   7.638
  515    HA   SER  62           HA       SER  62   3.583   9.158   9.158
  516   1HB   SER  62          2HB       SER  62   2.572   6.689   6.689
  517   2HB   SER  62          1HB       SER  62   3.240   7.040   7.040
  518    HG   SER  62           HG       SER  62   4.228   5.291   5.291
  519    H    ASP  63           H        ASP  63   3.738   7.425   7.425
  520    HA   ASP  63           HA       ASP  63   2.367   7.725   7.725
  521   1HB   ASP  63          2HB       ASP  63   3.004  10.507  10.507
  522   2HB   ASP  63          1HB       ASP  63   2.305  10.211  10.211
  523    H    GLY  64           H        GLY  64   0.486   6.818   6.818
  524   1HA   GLY  64          2HA       GLY  64  -1.700   7.030   7.030
  525   2HA   GLY  64          1HA       GLY  64  -1.897   8.260   8.260
  526    H    ASP  65           H        ASP  65   0.583   8.545   8.545
  527    HA   ASP  65           HA       ASP  65   0.937  10.068  10.068
  528   1HB   ASP  65          2HB       ASP  65  -1.162   8.984   8.984
  529   2HB   ASP  65          1HB       ASP  65  -2.096  10.208  10.208
  530    H    GLY  66           H        GLY  66   1.842  11.432  11.432
  531   1HA   GLY  66          2HA       GLY  66   2.060  13.507  13.507
  532   2HA   GLY  66          1HA       GLY  66   0.859  14.103  14.103
  533    H    GLU  67           H        GLU  67  -0.151  11.398  11.398
  534    HA   GLU  67           HA       GLU  67  -1.383  13.074  13.074
  535   1HB   GLU  67          2HB       GLU  67  -2.920  13.277  13.277
  536   2HB   GLU  67          1HB       GLU  67  -2.838  11.546  11.546
  537   1HG   GLU  67          2HG       GLU  67  -4.523  11.176  11.176
  538   2HG   GLU  67          1HG       GLU  67  -3.575  11.893  11.893
  539    H    CYS  68           H        CYS  68  -0.053  11.664  11.664
  540    HA   CYS  68           HA       CYS  68  -0.678   8.763   8.763
  541   1HB   CYS  68          2HB       CYS  68   1.552  10.208  10.208
  542   2HB   CYS  68          1HB       CYS  68   0.901  10.061  10.061
  543    HG   CYS  68           HG       CYS  68   0.751   7.343   7.343
  544    H    ASP  69           H        ASP  69  -2.922   8.811   8.811
  545    HA   ASP  69           HA       ASP  69  -3.691  10.179  10.179
  546   1HB   ASP  69          2HB       ASP  69  -4.997   9.967   9.967
  547   2HB   ASP  69          1HB       ASP  69  -5.317   8.308   8.308
  548    H    PHE  70           H        PHE  70  -5.214   8.861   8.861
  549    HA   PHE  70           HA       PHE  70  -4.344   7.413   7.413
  550   1HB   PHE  70          2HB       PHE  70  -6.666   6.922   6.922
  551   2HB   PHE  70          1HB       PHE  70  -6.340   5.759   5.759
  552    HD1  PHE  70           HD1      PHE  70  -7.157   9.280   9.280
  553    HD2  PHE  70           HD2      PHE  70  -6.581   6.368   6.368
  554    HE1  PHE  70           HE1      PHE  70  -8.133  10.844  10.844
  555    HE2  PHE  70           HE2      PHE  70  -7.556   7.949   7.949
  556    HZ   PHE  70           HZ       PHE  70  -8.296  10.196  10.196
  557    H    GLN  71           H        GLN  71  -5.487   5.170   5.170
  558    HA   GLN  71           HA       GLN  71  -3.820   3.016   3.016
  559   1HB   GLN  71          2HB       GLN  71  -4.703   2.009   2.009
  560   2HB   GLN  71          1HB       GLN  71  -5.927   2.662   2.662
  561   1HG   GLN  71          2HG       GLN  71  -6.522   4.302   4.302
  562   2HG   GLN  71          1HG       GLN  71  -4.848   4.637   4.637
  563   1HE2  GLN  71          2HE2      GLN  71  -5.126   2.868   2.868
  564   2HE2  GLN  71          1HE2      GLN  71  -4.333   4.062   4.062
  565    H    GLU  72           H        GLU  72  -2.994   5.697   5.697
  566    HA   GLU  72           HA       GLU  72  -1.015   4.366   4.366
  567   1HB   GLU  72          2HB       GLU  72  -1.256   7.308   7.308
  568   2HB   GLU  72          1HB       GLU  72  -0.752   6.547   6.547
  569   1HG   GLU  72          2HG       GLU  72  -3.287   5.500   5.500
  570   2HG   GLU  72          1HG       GLU  72  -3.447   7.185   7.185
  571    H    PHE  73           H        PHE  73  -1.078   6.205   6.205
  572    HA   PHE  73           HA       PHE  73   1.747   6.540   6.540
  573   1HB   PHE  73          2HB       PHE  73   0.562   7.839   7.839
  574   2HB   PHE  73          1HB       PHE  73  -0.727   6.657   6.657
  575    HD1  PHE  73           HD1      PHE  73   2.921   6.163   6.163
  576    HD2  PHE  73           HD2      PHE  73  -0.996   6.378   6.378
  577    HE1  PHE  73           HE1      PHE  73   3.828   5.367   5.367
  578    HE2  PHE  73           HE2      PHE  73  -0.086   5.596   5.596
  579    HZ   PHE  73           HZ       PHE  73   2.328   5.086   5.086
  580    H    MET  74           H        MET  74  -0.440   4.145   4.145
  581    HA   MET  74           HA       MET  74   1.659   2.443   2.443
  582   1HB   MET  74          2HB       MET  74  -1.254   1.950   1.950
  583   2HB   MET  74          1HB       MET  74  -0.259   0.839   0.839
  584   1HG   MET  74          2HG       MET  74   0.127   2.626   2.626
  585   2HG   MET  74          1HG       MET  74  -0.911   3.707   3.707
  586   1HE   MET  74          3HE       MET  74  -0.573   1.050   1.050
  587   2HE   MET  74          2HE       MET  74  -2.035   0.071   0.071
  588   3HE   MET  74          1HE       MET  74  -0.857  -0.011  -0.011
  589    H    ALA  75           H        ALA  75   0.109   2.820   2.820
  590    HA   ALA  75           HA       ALA  75   0.746   0.261   0.261
  591   1HB   ALA  75          2HB       ALA  75   0.074   3.034   3.034
  592   2HB   ALA  75          1HB       ALA  75   0.637   1.876   1.876
  593   3HB   ALA  75          3HB       ALA  75  -0.816   1.533   1.533
  594    H    PHE  76           H        PHE  76   2.312   3.417   3.417
  595    HA   PHE  76           HA       PHE  76   4.624   2.281   2.281
  596   1HB   PHE  76          2HB       PHE  76   4.131   4.516   4.516
  597   2HB   PHE  76          1HB       PHE  76   3.832   4.946   4.946
  598    HD1  PHE  76           HD1      PHE  76   5.754   5.084   5.084
  599    HD2  PHE  76           HD2      PHE  76   6.334   4.643   4.643
  600    HE1  PHE  76           HE1      PHE  76   8.105   5.837   5.837
  601    HE2  PHE  76           HE2      PHE  76   8.685   5.390   5.390
  602    HZ   PHE  76           HZ       PHE  76   9.571   5.989   5.989
  603    H    VAL  77           H        VAL  77   4.072   3.560   3.560
  604    HA   VAL  77           HA       VAL  77   6.644   3.249   3.249
  605    HB   VAL  77           HB       VAL  77   4.262   3.901   3.901
  606   1HG1  VAL  77          3HG1      VAL  77   3.461   1.520   1.520
  607   2HG1  VAL  77          2HG1      VAL  77   4.689   1.104   1.104
  608   3HG1  VAL  77          1HG1      VAL  77   3.389   2.220   2.220
  609   1HG2  VAL  77          1HG2      VAL  77   6.782   2.923   2.923
  610   2HG2  VAL  77          3HG2      VAL  77   6.060   4.532   4.532
  611   3HG2  VAL  77          2HG2      VAL  77   5.405   3.251   3.251
  612    H    ALA  78           H        ALA  78   4.188   0.794   0.794
  613    HA   ALA  78           HA       ALA  78   5.744  -1.478  -1.478
  614   1HB   ALA  78          1HB       ALA  78   3.148  -1.012  -1.012
  615   2HB   ALA  78          3HB       ALA  78   3.538  -1.679  -1.679
  616   3HB   ALA  78          2HB       ALA  78   3.816  -2.639  -2.639
  617    H    MET  79           H        MET  79   5.125   0.093   0.093
  618    HA   MET  79           HA       MET  79   6.346  -1.856  -1.856
  619   1HB   MET  79          2HB       MET  79   5.101   0.549   0.549
  620   2HB   MET  79          1HB       MET  79   6.775   1.029   1.029
  621   1HG   MET  79          2HG       MET  79   5.304  -1.206  -1.206
  622   2HG   MET  79          1HG       MET  79   5.678   0.379   0.379
  623   1HE   MET  79          2HE       MET  79   7.586   1.206   1.206
  624   2HE   MET  79          1HE       MET  79   8.658   1.144   1.144
  625   3HE   MET  79          3HE       MET  79   9.178   0.470   0.470
  626    H    ILE  80           H        ILE  80   7.700   0.928   0.928
  627    HA   ILE  80           HA       ILE  80  10.430   0.641   0.641
  628    HB   ILE  80           HB       ILE  80   9.306   1.424   1.424
  629   1HG1  ILE  80          2HG1      ILE  80   8.146   2.648   2.648
  630   2HG1  ILE  80          1HG1      ILE  80   9.199   3.720   3.720
  631   1HG2  ILE  80          2HG2      ILE  80  11.897   1.920   1.920
  632   2HG2  ILE  80          1HG2      ILE  80  11.338   3.039   3.039
  633   3HG2  ILE  80          3HG2      ILE  80  11.644   1.350   1.350
  634   1HD1  ILE  80          3HD1      ILE  80  10.654   2.486   2.486
  635   2HD1  ILE  80          2HD1      ILE  80   9.220   3.314   3.314
  636   3HD1  ILE  80          1HD1      ILE  80  10.415   4.200   4.200
  637    H    THR  81           H        THR  81   8.933  -0.320  -0.320
  638    HA   THR  81           HA       THR  81  10.806  -1.961  -1.961
  639    HB   THR  81           HB       THR  81   8.302  -3.269  -3.269
  640    HG1  THR  81           HG1      THR  81   7.847  -0.531  -0.531
  641   1HG2  THR  81          1HG2      THR  81  10.123  -1.701  -1.701
  642   2HG2  THR  81          3HG2      THR  81   8.490  -1.084  -1.084
  643   3HG2  THR  81          2HG2      THR  81   8.857  -2.788  -2.788
  644    H    THR  82           H        THR  82   8.445  -2.998  -2.998
  645    HA   THR  82           HA       THR  82   9.398  -5.722  -5.722
  646    HB   THR  82           HB       THR  82   8.216  -5.361  -5.361
  647    HG1  THR  82           HG1      THR  82   7.793  -3.290  -3.290
  648   1HG2  THR  82          2HG2      THR  82   6.860  -5.434  -5.434
  649   2HG2  THR  82          1HG2      THR  82   6.017  -5.726  -5.726
  650   3HG2  THR  82          3HG2      THR  82   7.304  -6.815  -6.815
  651    H    ALA  83           H        ALA  83  10.453  -2.742  -2.742
  652    HA   ALA  83           HA       ALA  83  12.196  -4.154  -4.154
  653   1HB   ALA  83          3HB       ALA  83  10.853  -2.054  -2.054
  654   2HB   ALA  83          2HB       ALA  83  11.948  -1.202  -1.202
  655   3HB   ALA  83          1HB       ALA  83  12.566  -1.928  -1.928
  656    H    CYS  84           H        CYS  84  12.417  -3.012  -3.012
  657    HA   CYS  84           HA       CYS  84  15.179  -2.173  -2.173
  658   1HB   CYS  84          2HB       CYS  84  13.626  -1.478  -1.478
  659   2HB   CYS  84          1HB       CYS  84  13.291  -3.156  -3.156
  660    HG   CYS  84           HG       CYS  84  16.254  -2.418  -2.418
  661    H    HIS  85           H        HIS  85  14.452  -4.748  -4.748
  662    HA   HIS  85           HA       HIS  85  16.515  -6.438  -6.438
  663   1HB   HIS  85          2HB       HIS  85  16.729  -5.145  -5.145
  664   2HB   HIS  85          1HB       HIS  85  16.083  -6.695  -6.695
  665    HD1  HIS  85           HD1      HIS  85  19.194  -5.336  -5.336
  666    HD2  HIS  85           HD2      HIS  85  17.702  -8.733  -8.733
  667    HE1  HIS  85           HE1      HIS  85  21.194  -6.796  -6.796
  668    H    GLU  86           H        GLU  86  16.046  -8.460  -8.460
  669    HA   GLU  86           HA       GLU  86  14.535 -10.397 -10.397
  670   1HB   GLU  86          2HB       GLU  86  15.829 -10.652 -10.652
  671   2HB   GLU  86          1HB       GLU  86  14.614  -9.722  -9.722
  672   1HG   GLU  86          2HG       GLU  86  13.548 -11.670 -11.670
  673   2HG   GLU  86          1HG       GLU  86  13.152 -11.705 -11.705
  674    H    PHE  87           H        PHE  87  12.760  -9.563  -9.563
  675    HA   PHE  87           HA       PHE  87  10.348  -9.138  -9.138
  676   1HB   PHE  87          2HB       PHE  87  10.813 -10.738 -10.738
  677   2HB   PHE  87          1HB       PHE  87  10.103  -9.318  -9.318
  678    HD1  PHE  87           HD2      PHE  87   7.857  -8.377  -8.377
  679    HD2  PHE  87           HD1      PHE  87   9.449 -12.295 -12.295
  680    HE1  PHE  87           HE2      PHE  87   5.708  -9.045  -9.045
  681    HE2  PHE  87           HE1      PHE  87   7.229 -12.982 -12.982
  682    HZ   PHE  87           HZ       PHE  87   5.360 -11.362 -11.362
  683    H    PHE  88           H        PHE  88   9.617  -7.082  -7.082
  684    HA   PHE  88           HA       PHE  88   9.253  -4.793  -4.793
  685   1HB   PHE  88          2HB       PHE  88   9.443  -6.191  -6.191
  686   2HB   PHE  88          1HB       PHE  88   9.417  -4.436  -4.436
  687    HD1  PHE  88           HD1      PHE  88   7.711  -6.798  -6.798
  688    HD2  PHE  88           HD2      PHE  88   7.264  -3.894  -3.894
  689    HE1  PHE  88           HE1      PHE  88   5.245  -6.893  -6.893
  690    HE2  PHE  88           HE2      PHE  88   4.807  -3.973  -3.973
  691    HZ   PHE  88           HZ       PHE  88   3.794  -5.474  -5.474
  692    H    GLU  89           H        GLU  89  10.671  -3.311  -3.311
  693    HA   GLU  89           HA       GLU  89  13.253  -3.004  -3.004
  694   1HB   GLU  89          2HB       GLU  89  11.971  -1.014  -1.014
  695   2HB   GLU  89          1HB       GLU  89  11.742  -1.436  -1.436
  696   1HG   GLU  89          2HG       GLU  89  14.535  -1.448  -1.448
  697   2HG   GLU  89          1HG       GLU  89  13.919   0.008   0.008
  698    H    HIS  90           H        HIS  90  12.925  -2.301  -2.301
  699    HA   HIS  90           HA       HIS  90  15.384  -3.607  -3.607
  700   1HB   HIS  90          2HB       HIS  90  13.106  -2.267  -2.267
  701   2HB   HIS  90          1HB       HIS  90  14.053  -3.353  -3.353
  702    HD1  HIS  90           HD1      HIS  90  16.685  -2.489  -2.489
  703    HD2  HIS  90           HD2      HIS  90  14.337  -0.126  -0.126
  704    HE1  HIS  90           HE1      HIS  90  18.077  -0.460  -0.460
  705    H    GLU  91           H        GLU  91  14.450  -5.696  -5.696
  706    HA   GLU  91           HA       GLU  91  12.624  -7.428  -7.428
  707   1HB   GLU  91          2HB       GLU  91  13.597  -9.120  -9.120
  708   2HB   GLU  91          1HB       GLU  91  13.188  -7.619  -7.619
  709   1HG   GLU  91          2HG       GLU  91  15.331  -7.884  -7.884
  710   2HG   GLU  91          1HG       GLU  91  15.714  -7.022  -7.022
  711   1H    MET   0          3H        MET   0   5.422   8.676   8.676
  712   2H    MET   0          2H        MET   0   5.440  10.371  10.371
  713   3H    MET   0          1H        MET   0   5.188   9.428   9.428
  714    HA   MET   0           HA       MET   0   7.400   9.922   9.922
  715   1HB   MET   0          2HB       MET   0   7.050  10.982  10.982
  716   2HB   MET   0          1HB       MET   0   8.034   9.590   9.590
  717   1HG   MET   0          2HG       MET   0   9.334  10.568  10.568
  718   2HG   MET   0          1HG       MET   0   8.810  12.033  12.033
  719   1HE   MET   0          3HE       MET   0  11.469  11.138  11.138
  720   2HE   MET   0          2HE       MET   0  12.614  10.996  10.996
  721   3HE   MET   0          1HE       MET   0  11.853   9.548   9.548
  722    H    SER   1           H        SER   1   9.337   8.529   8.529
  723    HA   SER   1           HA       SER   1   9.908   6.164   6.164
  724   1HB   SER   1          2HB       SER   1  11.239   5.821   5.821
  725   2HB   SER   1          1HB       SER   1  10.699   7.444   7.444
  726    HG   SER   1           HG       SER   1  10.256   6.184   6.184
  727    H    GLU   2           H        GLU   2   7.180   6.718   6.718
  728    HA   GLU   2           HA       GLU   2   6.324   4.272   4.272
  729   1HB   GLU   2          2HB       GLU   2   4.875   6.522   6.522
  730   2HB   GLU   2          1HB       GLU   2   3.996   5.159   5.159
  731   1HG   GLU   2          2HG       GLU   2   5.888   6.022   6.022
  732   2HG   GLU   2          1HG       GLU   2   5.058   7.458   7.458
  733    H    LEU   3           H        LEU   3   6.488   5.314   5.314
  734    HA   LEU   3           HA       LEU   3   4.984   3.051   3.051
  735   1HB   LEU   3          2HB       LEU   3   6.544   5.393   5.393
  736   2HB   LEU   3          1HB       LEU   3   6.366   4.061   4.061
  737    HG   LEU   3           HG       LEU   3   4.009   4.242   4.242
  738   1HD1  LEU   3          2HD1      LEU   3   4.332   5.953   5.953
  739   2HD1  LEU   3          1HD1      LEU   3   2.805   5.740   5.740
  740   3HD1  LEU   3          3HD1      LEU   3   3.590   4.356   4.356
  741   1HD2  LEU   3          1HD2      LEU   3   5.170   7.022   7.022
  742   2HD2  LEU   3          3HD2      LEU   3   5.088   6.085   6.085
  743   3HD2  LEU   3          2HD2      LEU   3   3.612   6.669   6.669
  744    H    GLU   4           H        GLU   4   8.318   3.959   3.959
  745    HA   GLU   4           HA       GLU   4   9.340   1.586   1.586
  746   1HB   GLU   4          2HB       GLU   4  10.744   3.510   3.510
  747   2HB   GLU   4          1HB       GLU   4  10.537   3.682   3.682
  748   1HG   GLU   4          2HG       GLU   4  11.629   1.073   1.073
  749   2HG   GLU   4          1HG       GLU   4  12.676   2.430   2.430
  750    H    LYS   5           H        LYS   5   9.459   2.499   2.499
  751    HA   LYS   5           HA       LYS   5  10.325  -0.032  -0.032
  752   1HB   LYS   5          2HB       LYS   5   8.465   1.955   1.955
  753   2HB   LYS   5          1HB       LYS   5   9.610   0.867   0.867
  754   1HG   LYS   5          2HG       LYS   5  10.930   2.523   2.523
  755   2HG   LYS   5          1HG       LYS   5  10.111   3.508   3.508
  756   1HD   LYS   5          2HD       LYS   5  11.903   3.137   3.137
  757   2HD   LYS   5          1HD       LYS   5  11.304   1.489   1.489
  758   1HE   LYS   5          2HE       LYS   5  12.734   0.667   0.667
  759   2HE   LYS   5          1HE       LYS   5  13.084   2.305   2.305
  760   1HZ   LYS   5          1HZ       LYS   5  13.779   2.590   2.590
  761   2HZ   LYS   5          3HZ       LYS   5  14.101   0.932   0.932
  762   3HZ   LYS   5          2HZ       LYS   5  14.875   2.047   2.047
  763    H    ALA   6           H        ALA   6   6.974   1.266   1.266
  764    HA   ALA   6           HA       ALA   6   5.643  -1.114  -1.114
  765   1HB   ALA   6          1HB       ALA   6   4.946   1.048   1.048
  766   2HB   ALA   6          3HB       ALA   6   3.794  -0.163  -0.163
  767   3HB   ALA   6          2HB       ALA   6   4.474   1.002   1.002
  768    H    VAL   7           H        VAL   7   6.814   0.007   0.007
  769    HA   VAL   7           HA       VAL   7   6.027  -2.049  -2.049
  770    HB   VAL   7           HB       VAL   7   7.934   0.116   0.116
  771   1HG1  VAL   7          3HG1      VAL   7   8.936  -2.396  -2.396
  772   2HG1  VAL   7          2HG1      VAL   7   9.566  -0.790  -0.790
  773   3HG1  VAL   7          1HG1      VAL   7   9.731  -1.452  -1.452
  774   1HG2  VAL   7          3HG2      VAL   7   6.014  -0.013  -0.013
  775   2HG2  VAL   7          2HG2      VAL   7   7.528   0.290   0.290
  776   3HG2  VAL   7          1HG2      VAL   7   6.817  -1.324  -1.324
  777    H    VAL   8           H        VAL   8   9.081  -1.863  -1.863
  778    HA   VAL   8           HA       VAL   8  10.187  -4.369  -4.369
  779    HB   VAL   8           HB       VAL   8   9.921  -2.764  -2.764
  780   1HG1  VAL   8          3HG1      VAL   8  11.674  -5.163  -5.163
  781   2HG1  VAL   8          2HG1      VAL   8  11.885  -4.110  -4.110
  782   3HG1  VAL   8          1HG1      VAL   8  10.413  -5.067  -5.067
  783   1HG2  VAL   8          2HG2      VAL   8  11.430  -2.445  -2.445
  784   2HG2  VAL   8          1HG2      VAL   8  11.550  -1.498  -1.498
  785   3HG2  VAL   8          3HG2      VAL   8  12.561  -2.925  -2.925
  786    H    ALA   9           H        ALA   9   7.601  -3.500  -3.500
  787    HA   ALA   9           HA       ALA   9   7.129  -6.232  -6.232
  788   1HB   ALA   9          1HB       ALA   9   6.489  -3.623  -3.623
  789   2HB   ALA   9          3HB       ALA   9   4.941  -4.315  -4.315
  790   3HB   ALA   9          2HB       ALA   9   5.906  -5.101  -5.101
  791    H    LEU  10           H        LEU  10   5.941  -4.149  -4.149
  792    HA   LEU  10           HA       LEU  10   3.587  -5.716  -5.716
  793   1HB   LEU  10          2HB       LEU  10   5.310  -3.848  -3.848
  794   2HB   LEU  10          1HB       LEU  10   3.714  -4.432  -4.432
  795    HG   LEU  10           HG       LEU  10   4.451  -2.520  -2.520
  796   1HD1  LEU  10          1HD1      LEU  10   3.726  -1.891  -1.891
  797   2HD1  LEU  10          3HD1      LEU  10   2.119  -2.413  -2.413
  798   3HD1  LEU  10          2HD1      LEU  10   2.919  -1.084  -1.084
  799   1HD2  LEU  10          1HD2      LEU  10   3.050  -4.280  -4.280
  800   2HD2  LEU  10          3HD2      LEU  10   2.169  -2.758  -2.758
  801   3HD2  LEU  10          2HD2      LEU  10   1.850  -4.066  -4.066
  802    H    ILE  11           H        ILE  11   7.008  -5.873  -5.873
  803    HA   ILE  11           HA       ILE  11   6.740  -7.773  -7.773
  804    HB   ILE  11           HB       ILE  11   9.031  -7.641  -7.641
  805   1HG1  ILE  11          2HG1      ILE  11  10.461  -7.740  -7.740
  806   2HG1  ILE  11          1HG1      ILE  11   8.970  -8.099  -8.099
  807   1HG2  ILE  11          1HG2      ILE  11   8.267  -5.278  -5.278
  808   2HG2  ILE  11          3HG2      ILE  11   8.843  -5.629  -5.629
  809   3HG2  ILE  11          2HG2      ILE  11   9.969  -5.640  -5.640
  810   1HD1  ILE  11          2HD1      ILE  11   8.967  -9.784  -9.784
  811   2HD1  ILE  11          1HD1      ILE  11  10.604  -9.859  -9.859
  812   3HD1  ILE  11          3HD1      ILE  11   9.227 -10.262 -10.262
  813    H    ASP  12           H        ASP  12   7.198  -7.984  -7.984
  814    HA   ASP  12           HA       ASP  12   7.308 -10.836 -10.836
  815   1HB   ASP  12          2HB       ASP  12   7.567  -8.679  -8.679
  816   2HB   ASP  12          1HB       ASP  12   5.906  -9.128  -9.128
  817    H    VAL  13           H        VAL  13   4.697  -8.455  -8.455
  818    HA   VAL  13           HA       VAL  13   2.480 -10.201 -10.201
  819    HB   VAL  13           HB       VAL  13   2.705  -7.650  -7.650
  820   1HG1  VAL  13          2HG1      VAL  13   0.530  -9.392  -9.392
  821   2HG1  VAL  13          1HG1      VAL  13   0.323  -7.768  -7.768
  822   3HG1  VAL  13          3HG1      VAL  13   0.493  -8.009  -8.009
  823   1HG2  VAL  13          1HG2      VAL  13   3.413  -8.032  -8.032
  824   2HG2  VAL  13          3HG2      VAL  13   2.918  -6.494  -6.494
  825   3HG2  VAL  13          2HG2      VAL  13   1.732  -7.509  -7.509
  826    H    PHE  14           H        PHE  14   3.961  -9.058  -9.058
  827    HA   PHE  14           HA       PHE  14   2.238 -10.624 -10.624
  828   1HB   PHE  14          2HB       PHE  14   4.701  -9.093  -9.093
  829   2HB   PHE  14          1HB       PHE  14   4.845 -10.712 -10.712
  830    HD1  PHE  14           HD1      PHE  14   2.895 -11.684 -11.684
  831    HD2  PHE  14           HD2      PHE  14   3.267  -7.506  -7.506
  832    HE1  PHE  14           HE1      PHE  14   1.263 -11.167 -11.167
  833    HE2  PHE  14           HE2      PHE  14   1.640  -6.983  -6.983
  834    HZ   PHE  14           HZ       PHE  14   0.633  -8.812  -8.812
  835    H    HIS  15           H        HIS  15   5.386 -11.473 -11.473
  836    HA   HIS  15           HA       HIS  15   5.888 -14.015 -14.015
  837   1HB   HIS  15          2HB       HIS  15   7.037 -12.746 -12.746
  838   2HB   HIS  15          1HB       HIS  15   5.749 -13.272 -13.272
  839    HD1  HIS  15           HD1      HIS  15   9.035 -14.207 -14.207
  840    HD2  HIS  15           HD2      HIS  15   5.493 -16.378 -16.378
  841    HE1  HIS  15           HE1      HIS  15   9.707 -16.617 -16.617
  842    H    GLN  16           H        GLN  16   3.694 -13.490 -13.490
  843    HA   GLN  16           HA       GLN  16   2.592 -16.163 -16.163
  844   1HB   GLN  16          2HB       GLN  16   1.255 -13.706 -13.706
  845   2HB   GLN  16          1HB       GLN  16   1.213 -15.362 -15.362
  846   1HG   GLN  16          2HG       GLN  16   3.805 -15.060 -15.060
  847   2HG   GLN  16          1HG       GLN  16   3.421 -13.339 -13.339
  848   1HE2  GLN  16          2HE2      GLN  16   2.299 -15.575 -15.575
  849   2HE2  GLN  16          1HE2      GLN  16   2.838 -16.345 -16.345
  850    H    TYR  17           H        TYR  17   1.228 -12.976 -12.976
  851    HA   TYR  17           HA       TYR  17  -1.216 -13.670 -13.670
  852   1HB   TYR  17          2HB       TYR  17   0.806 -11.474 -11.474
  853   2HB   TYR  17          1HB       TYR  17  -0.722 -11.462 -11.462
  854    HD1  TYR  17           HD1      TYR  17  -1.305 -13.164 -13.164
  855    HD2  TYR  17           HD2      TYR  17  -0.691  -9.210  -9.210
  856    HE1  TYR  17           HE1      TYR  17  -2.533 -12.221 -12.221
  857    HE2  TYR  17           HE2      TYR  17  -1.900  -8.268  -8.268
  858    HH   TYR  17           HH       TYR  17  -2.853 -10.248 -10.248
  859    H    SER  18           H        SER  18   1.971 -13.918 -13.918
  860    HA   SER  18           HA       SER  18   0.708 -14.522 -14.522
  861   1HB   SER  18          2HB       SER  18   3.253 -13.590 -13.590
  862   2HB   SER  18          1HB       SER  18   3.496 -14.998 -14.998
  863    HG   SER  18           HG       SER  18   1.636 -13.296 -13.296
  864    H    GLY  19           H        GLY  19   2.765 -16.208 -16.208
  865   1HA   GLY  19          2HA       GLY  19   1.750 -18.772 -18.772
  866   2HA   GLY  19          1HA       GLY  19   3.461 -18.572 -18.572
  867    H    ARG  20           H        ARG  20   0.231 -18.534 -18.534
  868    HA   ARG  20           HA       ARG  20   1.530 -19.268 -19.268
  869   1HB   ARG  20          2HB       ARG  20  -0.639 -18.349 -18.349
  870   2HB   ARG  20          1HB       ARG  20   0.345 -17.163 -17.163
  871   1HG   ARG  20          2HG       ARG  20  -1.119 -17.005 -17.005
  872   2HG   ARG  20          1HG       ARG  20  -1.629 -18.688 -18.688
  873   1HD   ARG  20          2HD       ARG  20  -2.545 -17.653 -17.653
  874   2HD   ARG  20          1HD       ARG  20  -2.766 -16.281 -16.281
  875    HE   ARG  20           HE       ARG  20  -3.712 -18.321 -18.321
  876   1HH1  ARG  20          2HH1      ARG  20  -3.897 -18.946 -18.946
  877   2HH1  ARG  20          1HH1      ARG  20  -5.625 -18.959 -18.959
  878   1HH2  ARG  20          1HH2      ARG  20  -6.092 -17.699 -17.699
  879   2HH2  ARG  20          2HH2      ARG  20  -6.869 -18.252 -18.252
  880    H    GLU  21           H        GLU  21  -0.340 -20.460 -20.460
  881    HA   GLU  21           HA       GLU  21  -1.023 -22.887 -22.887
  882   1HB   GLU  21          2HB       GLU  21  -2.943 -21.407 -21.407
  883   2HB   GLU  21          1HB       GLU  21  -3.006 -21.114 -21.114
  884   1HG   GLU  21          2HG       GLU  21  -3.031 -23.948 -23.948
  885   2HG   GLU  21          1HG       GLU  21  -4.273 -23.206 -23.206
  886    H    GLY  22           H        GLY  22  -1.486 -21.290 -21.290
  887   1HA   GLY  22          2HA       GLY  22  -0.075 -23.446 -23.446
  888   2HA   GLY  22          1HA       GLY  22  -1.811 -23.443 -23.443
  889    H    ASP  23           H        ASP  23   0.869 -21.063 -21.063
  890    HA   ASP  23           HA       ASP  23   0.224 -20.171 -20.171
  891   1HB   ASP  23          2HB       ASP  23  -0.460 -18.673 -18.673
  892   2HB   ASP  23          1HB       ASP  23   0.012 -17.762 -17.762
  893    H    LYS  24           H        LYS  24   1.900 -18.741 -18.741
  894    HA   LYS  24           HA       LYS  24   4.485 -19.074 -19.074
  895   1HB   LYS  24          2HB       LYS  24   3.476 -18.483 -18.483
  896   2HB   LYS  24          1HB       LYS  24   5.056 -17.817 -17.817
  897   1HG   LYS  24          2HG       LYS  24   4.313 -20.723 -20.723
  898   2HG   LYS  24          1HG       LYS  24   5.129 -20.130 -20.130
  899   1HD   LYS  24          2HD       LYS  24   6.493 -19.066 -19.066
  900   2HD   LYS  24          1HD       LYS  24   6.300 -20.804 -20.804
  901   1HE   LYS  24          2HE       LYS  24   7.155 -21.092 -21.092
  902   2HE   LYS  24          1HE       LYS  24   7.638 -19.386 -19.386
  903   1HZ   LYS  24          2HZ       LYS  24   8.328 -21.314 -21.314
  904   2HZ   LYS  24          1HZ       LYS  24   9.336 -21.084 -21.084
  905   3HZ   LYS  24          3HZ       LYS  24   9.012 -19.788 -19.788
  906    H    HIS  25           H        HIS  25   3.834 -16.314 -16.314
  907    HA   HIS  25           HA       HIS  25   4.123 -14.494 -14.494
  908   1HB   HIS  25          2HB       HIS  25   5.343 -14.456 -14.456
  909   2HB   HIS  25          1HB       HIS  25   5.385 -13.068 -13.068
  910    HD1  HIS  25           HD1      HIS  25   8.043 -14.354 -14.354
  911    HD2  HIS  25           HD2      HIS  25   5.843 -15.525 -15.525
  912    HE1  HIS  25           HE1      HIS  25   9.678 -15.470 -15.470
  913    H    LYS  26           H        LYS  26   1.563 -15.023 -15.023
  914    HA   LYS  26           HA       LYS  26   0.656 -12.481 -12.481
  915   1HB   LYS  26          2HB       LYS  26   0.292 -15.211 -15.211
  916   2HB   LYS  26          1HB       LYS  26  -0.972 -13.996 -13.996
  917   1HG   LYS  26          2HG       LYS  26   0.247 -13.118 -13.118
  918   2HG   LYS  26          1HG       LYS  26   1.454 -12.652 -12.652
  919   1HD   LYS  26          2HD       LYS  26   1.800 -15.422 -15.422
  920   2HD   LYS  26          1HD       LYS  26   1.646 -14.657 -14.657
  921   1HE   LYS  26          2HE       LYS  26   3.299 -12.877 -12.877
  922   2HE   LYS  26          1HE       LYS  26   3.812 -14.400 -14.400
  923   1HZ   LYS  26          2HZ       LYS  26   3.581 -15.270 -15.270
  924   2HZ   LYS  26          1HZ       LYS  26   3.821 -13.637 -13.637
  925   3HZ   LYS  26          3HZ       LYS  26   5.000 -14.472 -14.472
  926    H    LEU  27           H        LEU  27  -1.936 -12.530 -12.530
  927    HA   LEU  27           HA       LEU  27  -2.712 -14.090 -14.090
  928   1HB   LEU  27          2HB       LEU  27  -2.636 -11.147 -11.147
  929   2HB   LEU  27          1HB       LEU  27  -3.968 -11.779 -11.779
  930    HG   LEU  27           HG       LEU  27  -1.516 -13.041 -13.041
  931   1HD1  LEU  27          2HD1      LEU  27  -0.894 -10.589 -10.589
  932   2HD1  LEU  27          1HD1      LEU  27  -1.372 -10.146 -10.146
  933   3HD1  LEU  27          3HD1      LEU  27  -0.069 -11.306 -11.306
  934   1HD2  LEU  27          2HD2      LEU  27  -3.829 -12.463 -12.463
  935   2HD2  LEU  27          1HD2      LEU  27  -2.351 -12.579 -12.579
  936   3HD2  LEU  27          3HD2      LEU  27  -2.971 -11.001 -11.001
  937    H    LYS  28           H        LYS  28  -4.442 -15.299 -15.299
  938    HA   LYS  28           HA       LYS  28  -6.218 -14.472 -14.472
  939   1HB   LYS  28          2HB       LYS  28  -5.218 -16.849 -16.849
  940   2HB   LYS  28          1HB       LYS  28  -6.863 -16.842 -16.842
  941   1HG   LYS  28          2HG       LYS  28  -7.383 -16.045 -16.045
  942   2HG   LYS  28          1HG       LYS  28  -5.924 -16.989 -16.989
  943   1HD   LYS  28          2HD       LYS  28  -7.892 -18.260 -18.260
  944   2HD   LYS  28          1HD       LYS  28  -8.415 -18.081 -18.081
  945   1HE   LYS  28          2HE       LYS  28  -5.681 -19.197 -19.197
  946   2HE   LYS  28          1HE       LYS  28  -7.113 -20.244 -20.244
  947   1HZ   LYS  28          1HZ       LYS  28  -7.623 -19.143 -19.143
  948   2HZ   LYS  28          3HZ       LYS  28  -6.047 -18.518 -18.518
  949   3HZ   LYS  28          2HZ       LYS  28  -6.291 -20.198 -20.198
  950    H    LYS  29           H        LYS  29  -8.601 -14.547 -14.547
  951    HA   LYS  29           HA       LYS  29  -9.646 -12.770 -12.770
  952   1HB   LYS  29          2HB       LYS  29 -10.929 -15.428 -15.428
  953   2HB   LYS  29          1HB       LYS  29 -11.757 -13.911 -13.911
  954   1HG   LYS  29          2HG       LYS  29  -9.876 -13.408 -13.408
  955   2HG   LYS  29          1HG       LYS  29 -10.786 -14.854 -14.854
  956   1HD   LYS  29          2HD       LYS  29 -12.467 -12.751 -12.751
  957   2HD   LYS  29          1HD       LYS  29 -11.644 -12.248 -12.248
  958   1HE   LYS  29          2HE       LYS  29 -13.430 -13.290 -13.290
  959   2HE   LYS  29          1HE       LYS  29 -12.471 -14.754 -14.754
  960   1HZ   LYS  29          2HZ       LYS  29 -13.553 -14.495 -14.495
  961   2HZ   LYS  29          1HZ       LYS  29 -14.771 -13.709 -13.709
  962   3HZ   LYS  29          3HZ       LYS  29 -14.361 -15.314 -15.314
  963    H    SER  30           H        SER  30  -8.797 -16.147 -16.147
  964    HA   SER  30           HA       SER  30  -9.945 -16.140 -16.140
  965   1HB   SER  30          2HB       SER  30  -8.977 -18.326 -18.326
  966   2HB   SER  30          1HB       SER  30  -9.440 -18.099 -18.099
  967    HG   SER  30           HG       SER  30  -7.194 -18.874 -18.874
  968    H    GLU  31           H        GLU  31  -6.560 -16.019 -16.019
  969    HA   GLU  31           HA       GLU  31  -5.329 -15.604 -15.604
  970   1HB   GLU  31          2HB       GLU  31  -4.690 -15.262 -15.262
  971   2HB   GLU  31          1HB       GLU  31  -3.710 -14.302 -14.302
  972   1HG   GLU  31          2HG       GLU  31  -2.927 -16.230 -16.230
  973   2HG   GLU  31          1HG       GLU  31  -4.171 -17.257 -17.257
  974    H    LEU  32           H        LEU  32  -6.296 -13.279 -13.279
  975    HA   LEU  32           HA       LEU  32  -5.725 -10.867 -10.867
  976   1HB   LEU  32          2HB       LEU  32  -6.636 -11.301 -11.301
  977   2HB   LEU  32          1HB       LEU  32  -8.223 -11.493 -11.493
  978    HG   LEU  32           HG       LEU  32  -8.241  -9.236  -9.236
  979   1HD1  LEU  32          1HD1      LEU  32  -5.311  -9.239  -9.239
  980   2HD1  LEU  32          3HD1      LEU  32  -6.205  -7.758  -7.758
  981   3HD1  LEU  32          2HD1      LEU  32  -6.009  -8.988  -8.988
  982   1HD2  LEU  32          3HD2      LEU  32  -8.434  -9.736  -9.736
  983   2HD2  LEU  32          2HD2      LEU  32  -8.302  -8.063  -8.063
  984   3HD2  LEU  32          1HD2      LEU  32  -6.887  -8.899  -8.899
  985    H    LYS  33           H        LYS  33  -8.520 -13.043 -13.043
  986    HA   LYS  33           HA       LYS  33 -10.234 -11.628 -11.628
  987   1HB   LYS  33          2HB       LYS  33 -10.071 -14.143 -14.143
  988   2HB   LYS  33          1HB       LYS  33  -9.539 -14.446 -14.446
  989   1HG   LYS  33          2HG       LYS  33 -12.152 -13.208 -13.208
  990   2HG   LYS  33          1HG       LYS  33 -11.923 -14.712 -14.712
  991   1HD   LYS  33          2HD       LYS  33 -10.921 -13.376 -13.376
  992   2HD   LYS  33          1HD       LYS  33 -11.349 -11.908 -11.908
  993   1HE   LYS  33          2HE       LYS  33 -13.474 -13.976 -13.976
  994   2HE   LYS  33          1HE       LYS  33 -13.027 -12.832 -12.832
  995   1HZ   LYS  33          1HZ       LYS  33 -13.121 -11.168 -11.168
  996   2HZ   LYS  33          3HZ       LYS  33 -14.226 -12.310 -12.310
  997   3HZ   LYS  33          2HZ       LYS  33 -14.512 -11.548 -11.548
  998    H    GLU  34           H        GLU  34  -7.611 -13.811 -13.811
  999    HA   GLU  34           HA       GLU  34  -7.619 -13.074 -13.074
 1000   1HB   GLU  34          2HB       GLU  34  -5.689 -14.097 -14.097
 1001   2HB   GLU  34          1HB       GLU  34  -4.931 -13.296 -13.296
 1002   1HG   GLU  34          2HG       GLU  34  -5.155 -15.564 -15.564
 1003   2HG   GLU  34          1HG       GLU  34  -6.492 -14.732 -14.732
 1004    H    LEU  35           H        LEU  35  -5.491 -11.688 -11.688
 1005    HA   LEU  35           HA       LEU  35  -4.355  -9.500  -9.500
 1006   1HB   LEU  35          2HB       LEU  35  -4.676 -10.428 -10.428
 1007   2HB   LEU  35          1HB       LEU  35  -5.860  -9.127  -9.127
 1008    HG   LEU  35           HG       LEU  35  -3.377  -8.236  -8.236
 1009   1HD1  LEU  35          1HD1      LEU  35  -2.615 -10.087 -10.087
 1010   2HD1  LEU  35          3HD1      LEU  35  -3.195  -9.022  -9.022
 1011   3HD1  LEU  35          2HD1      LEU  35  -1.895  -8.490  -8.490
 1012   1HD2  LEU  35          3HD2      LEU  35  -5.389  -6.983  -6.983
 1013   2HD2  LEU  35          2HD2      LEU  35  -3.760  -6.367  -6.367
 1014   3HD2  LEU  35          1HD2      LEU  35  -4.569  -7.323  -7.323
 1015    H    ILE  36           H        ILE  36  -7.805  -9.784  -9.784
 1016    HA   ILE  36           HA       ILE  36  -8.303  -6.981  -6.981
 1017    HB   ILE  36           HB       ILE  36  -9.781  -9.242  -9.242
 1018   1HG1  ILE  36          2HG1      ILE  36 -10.313  -6.551  -6.551
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.576  -6.818  -6.818
 1020   1HG2  ILE  36          1HG2      ILE  36 -11.069  -6.950  -6.950
 1021   2HG2  ILE  36          3HG2      ILE  36 -11.875  -7.753  -7.753
 1022   3HG2  ILE  36          2HG2      ILE  36 -11.452  -8.669  -8.669
 1023   1HD1  ILE  36          1HD1      ILE  36  -9.522  -9.184  -9.184
 1024   2HD1  ILE  36          3HD1      ILE  36 -10.454  -7.928  -7.928
 1025   3HD1  ILE  36          2HD1      ILE  36  -8.692  -7.888  -7.888
 1026    H    ASN  37           H        ASN  37  -9.248 -10.261 -10.261
 1027    HA   ASN  37           HA       ASN  37 -10.691  -9.297  -9.297
 1028   1HB   ASN  37          2HB       ASN  37 -11.405 -11.335 -11.335
 1029   2HB   ASN  37          1HB       ASN  37  -9.769 -11.891 -11.891
 1030   1HD2  ASN  37          2HD2      ASN  37  -9.715 -13.707 -13.707
 1031   2HD2  ASN  37          1HD2      ASN  37  -9.297 -13.622 -13.622
 1032    H    ASN  38           H        ASN  38  -7.338  -9.830  -9.830
 1033    HA   ASN  38           HA       ASN  38  -6.607 -10.294 -10.294
 1034   1HB   ASN  38          2HB       ASN  38  -5.240 -10.134 -10.134
 1035   2HB   ASN  38          1HB       ASN  38  -4.273 -10.029 -10.029
 1036   1HD2  ASN  38          2HD2      ASN  38  -4.975 -13.644 -13.644
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.649 -12.263 -12.263
 1038    H    GLU  39           H        GLU  39  -7.226  -7.618  -7.618
 1039    HA   GLU  39           HA       GLU  39  -5.689  -5.793  -5.793
 1040   1HB   GLU  39          2HB       GLU  39  -6.277  -5.563  -5.563
 1041   2HB   GLU  39          1HB       GLU  39  -5.301  -4.441  -4.441
 1042   1HG   GLU  39          2HG       GLU  39  -3.540  -5.912  -5.912
 1043   2HG   GLU  39          1HG       GLU  39  -4.575  -7.333  -7.333
 1044    H    LEU  40           H        LEU  40  -8.439  -5.938  -5.938
 1045    HA   LEU  40           HA       LEU  40  -9.775  -3.745  -3.745
 1046   1HB   LEU  40          2HB       LEU  40 -10.535  -5.020  -5.020
 1047   2HB   LEU  40          1HB       LEU  40 -11.038  -3.444  -3.444
 1048    HG   LEU  40           HG       LEU  40  -8.154  -4.179  -4.179
 1049   1HD1  LEU  40          1HD1      LEU  40  -9.887  -4.058  -4.058
 1050   2HD1  LEU  40          3HD1      LEU  40  -9.796  -2.320  -2.320
 1051   3HD1  LEU  40          2HD1      LEU  40  -8.340  -3.222  -3.222
 1052   1HD2  LEU  40          1HD2      LEU  40  -8.571  -2.358  -2.358
 1053   2HD2  LEU  40          3HD2      LEU  40  -7.795  -1.760  -1.760
 1054   3HD2  LEU  40          2HD2      LEU  40  -9.522  -1.503  -1.503
 1055    H    SER  41           H        SER  41 -10.144  -5.549  -5.549
 1056    HA   SER  41           HA       SER  41 -11.927  -7.739  -7.739
 1057   1HB   SER  41          2HB       SER  41 -11.051  -6.116  -6.116
 1058   2HB   SER  41          1HB       SER  41 -12.230  -7.412  -7.412
 1059    HG   SER  41           HG       SER  41 -10.582  -8.681  -8.681
 1060    H    HIS  42           H        HIS  42 -12.485  -4.319  -4.319
 1061    HA   HIS  42           HA       HIS  42 -15.262  -4.526  -4.526
 1062   1HB   HIS  42          2HB       HIS  42 -13.314  -2.453  -2.453
 1063   2HB   HIS  42          1HB       HIS  42 -15.025  -2.052  -2.052
 1064    HD1  HIS  42           HD1      HIS  42 -16.481  -2.469  -2.469
 1065    HD2  HIS  42           HD2      HIS  42 -12.353  -2.124  -2.124
 1066    HE1  HIS  42           HE1      HIS  42 -16.068  -1.979  -1.979
 1067    H    PHE  43           H        PHE  43 -13.617  -3.908  -3.908
 1068    HA   PHE  43           HA       PHE  43 -16.029  -3.686  -3.686
 1069   1HB   PHE  43          2HB       PHE  43 -13.097  -3.948  -3.948
 1070   2HB   PHE  43          1HB       PHE  43 -14.087  -4.458  -4.458
 1071    HD1  PHE  43           HD1      PHE  43 -15.738  -1.969  -1.969
 1072    HD2  PHE  43           HD2      PHE  43 -12.851  -2.489  -2.489
 1073    HE1  PHE  43           HE1      PHE  43 -16.031   0.393   0.393
 1074    HE2  PHE  43           HE2      PHE  43 -13.149  -0.126  -0.126
 1075    HZ   PHE  43           HZ       PHE  43 -14.738   1.318   1.318
 1076    H    LEU  44           H        LEU  44 -14.573  -6.368  -6.368
 1077    HA   LEU  44           HA       LEU  44 -14.842  -8.527  -8.527
 1078   1HB   LEU  44          2HB       LEU  44 -14.254  -8.294  -8.294
 1079   2HB   LEU  44          1HB       LEU  44 -15.973  -8.597  -8.597
 1080    HG   LEU  44           HG       LEU  44 -15.674 -10.639 -10.639
 1081   1HD1  LEU  44          1HD1      LEU  44 -13.150  -9.477  -9.477
 1082   2HD1  LEU  44          3HD1      LEU  44 -12.858 -10.882 -10.882
 1083   3HD1  LEU  44          2HD1      LEU  44 -13.642 -11.083 -11.083
 1084   1HD2  LEU  44          2HD2      LEU  44 -14.797 -10.207 -10.207
 1085   2HD2  LEU  44          1HD2      LEU  44 -15.881 -11.433 -11.433
 1086   3HD2  LEU  44          3HD2      LEU  44 -14.135 -11.665 -11.665
 1087    H    GLU  45           H        GLU  45 -17.271  -6.628  -6.628
 1088    HA   GLU  45           HA       GLU  45 -19.570  -8.221  -8.221
 1089   1HB   GLU  45          2HB       GLU  45 -18.863  -5.853  -5.853
 1090   2HB   GLU  45          1HB       GLU  45 -20.398  -5.676  -5.676
 1091   1HG   GLU  45          2HG       GLU  45 -21.240  -7.742  -7.742
 1092   2HG   GLU  45          1HG       GLU  45 -19.681  -8.059  -8.059
 1093    H    GLU  46           H        GLU  46 -17.822  -5.350  -5.350
 1094    HA   GLU  46           HA       GLU  46 -17.905  -4.127  -4.127
 1095   1HB   GLU  46          2HB       GLU  46 -17.728  -5.663  -5.663
 1096   2HB   GLU  46          1HB       GLU  46 -18.224  -6.878  -6.878
 1097   1HG   GLU  46          2HG       GLU  46 -20.647  -6.179  -6.179
 1098   2HG   GLU  46          1HG       GLU  46 -19.927  -5.410  -5.410
 1099    H    ILE  47           H        ILE  47 -20.486  -4.558  -4.558
 1100    HA   ILE  47           HA       ILE  47 -22.596  -3.601  -3.601
 1101    HB   ILE  47           HB       ILE  47 -22.708  -5.324  -5.324
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.697  -4.441  -4.441
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.984  -4.579  -4.579
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.593  -2.709  -2.709
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.221  -4.206  -4.206
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.534  -4.108  -4.108
 1107   1HD1  ILE  47          3HD1      ILE  47 -24.089  -2.078  -2.078
 1108   2HD1  ILE  47          2HD1      ILE  47 -24.642  -2.126  -2.126
 1109   3HD1  ILE  47          1HD1      ILE  47 -25.778  -2.436  -2.436
 1110    H    LYS  48           H        LYS  48 -20.362  -2.424  -2.424
 1111    HA   LYS  48           HA       LYS  48 -21.558   0.022   0.022
 1112   1HB   LYS  48          2HB       LYS  48 -18.856  -1.207  -1.207
 1113   2HB   LYS  48          1HB       LYS  48 -18.886   0.552   0.552
 1114   1HG   LYS  48          2HG       LYS  48 -18.844  -0.365  -0.365
 1115   2HG   LYS  48          1HG       LYS  48 -20.452   0.300   0.300
 1116   1HD   LYS  48          2HD       LYS  48 -21.036  -1.767  -1.767
 1117   2HD   LYS  48          1HD       LYS  48 -20.940  -2.173  -2.173
 1118   1HE   LYS  48          2HE       LYS  48 -19.490  -3.803  -3.803
 1119   2HE   LYS  48          1HE       LYS  48 -18.316  -2.479  -2.479
 1120   1HZ   LYS  48          3HZ       LYS  48 -20.247  -3.143  -3.143
 1121   2HZ   LYS  48          2HZ       LYS  48 -18.693  -3.828  -3.828
 1122   3HZ   LYS  48          1HZ       LYS  48 -18.877  -2.148  -2.148
 1123    H    GLU  49           H        GLU  49 -20.595  -0.911  -0.911
 1124    HA   GLU  49           HA       GLU  49 -20.847   1.876   1.876
 1125   1HB   GLU  49          2HB       GLU  49 -18.679   1.448   1.448
 1126   2HB   GLU  49          1HB       GLU  49 -18.507   1.733   1.733
 1127   1HG   GLU  49          2HG       GLU  49 -18.360  -0.661  -0.661
 1128   2HG   GLU  49          1HG       GLU  49 -18.664  -1.010  -1.010
 1129    H    GLN  50           H        GLN  50 -22.667   1.295   1.295
 1130    HA   GLN  50           HA       GLN  50 -22.945  -1.095  -1.095
 1131   1HB   GLN  50          2HB       GLN  50 -24.323   1.411   1.411
 1132   2HB   GLN  50          1HB       GLN  50 -24.525   0.921   0.921
 1133   1HG   GLN  50          2HG       GLN  50 -24.787  -1.340  -1.340
 1134   2HG   GLN  50          1HG       GLN  50 -25.951  -0.069  -0.069
 1135   1HE2  GLN  50          2HE2      GLN  50 -26.093  -1.707  -1.707
 1136   2HE2  GLN  50          1HE2      GLN  50 -24.593  -1.578  -1.578
 1137    H    GLU  51           H        GLU  51 -22.861   2.169   2.169
 1138    HA   GLU  51           HA       GLU  51 -22.178   1.576   1.576
 1139   1HB   GLU  51          2HB       GLU  51 -22.576   3.830   3.830
 1140   2HB   GLU  51          1HB       GLU  51 -21.005   3.777   3.777
 1141   1HG   GLU  51          2HG       GLU  51 -20.014   3.336   3.336
 1142   2HG   GLU  51          1HG       GLU  51 -21.581   3.845   3.845
 1143    H    VAL  52           H        VAL  52 -20.043   1.375   1.375
 1144    HA   VAL  52           HA       VAL  52 -17.613   1.047   1.047
 1145    HB   VAL  52           HB       VAL  52 -18.170   0.362   0.362
 1146   1HG1  VAL  52          2HG1      VAL  52 -15.855   0.182   0.182
 1147   2HG1  VAL  52          1HG1      VAL  52 -15.602   1.507   1.507
 1148   3HG1  VAL  52          3HG1      VAL  52 -15.967  -0.099  -0.099
 1149   1HG2  VAL  52          2HG2      VAL  52 -18.891   2.679   2.679
 1150   2HG2  VAL  52          1HG2      VAL  52 -17.509   2.665   2.665
 1151   3HG2  VAL  52          3HG2      VAL  52 -17.270   2.995   2.995
 1152    H    VAL  53           H        VAL  53 -19.923  -1.053  -1.053
 1153    HA   VAL  53           HA       VAL  53 -18.690  -3.566  -3.566
 1154    HB   VAL  53           HB       VAL  53 -21.564  -2.702  -2.702
 1155   1HG1  VAL  53          3HG1      VAL  53 -20.346  -5.239  -5.239
 1156   2HG1  VAL  53          2HG1      VAL  53 -21.299  -5.354  -5.354
 1157   3HG1  VAL  53          1HG1      VAL  53 -22.068  -4.855  -4.855
 1158   1HG2  VAL  53          1HG2      VAL  53 -19.908  -2.888  -2.888
 1159   2HG2  VAL  53          3HG2      VAL  53 -21.573  -2.322  -2.322
 1160   3HG2  VAL  53          2HG2      VAL  53 -21.243  -4.036  -4.036
 1161    H    ASP  54           H        ASP  54 -20.168  -1.462  -1.462
 1162    HA   ASP  54           HA       ASP  54 -20.069  -3.316  -3.316
 1163   1HB   ASP  54          2HB       ASP  54 -21.613  -1.572  -1.572
 1164   2HB   ASP  54          1HB       ASP  54 -20.538  -0.394  -0.394
 1165    H    LYS  55           H        LYS  55 -18.070  -0.633  -0.633
 1166    HA   LYS  55           HA       LYS  55 -16.008  -0.890  -0.890
 1167   1HB   LYS  55          2HB       LYS  55 -16.418   0.507   0.507
 1168   2HB   LYS  55          1HB       LYS  55 -14.822   0.517   0.517
 1169   1HG   LYS  55          2HG       LYS  55 -16.451   2.458   2.458
 1170   2HG   LYS  55          1HG       LYS  55 -15.576   1.695   1.695
 1171   1HD   LYS  55          2HD       LYS  55 -17.563   0.227   0.227
 1172   2HD   LYS  55          1HD       LYS  55 -18.431   1.131   1.131
 1173   1HE   LYS  55          2HE       LYS  55 -19.040   2.129   2.129
 1174   2HE   LYS  55          1HE       LYS  55 -17.873   3.240   3.240
 1175   1HZ   LYS  55          2HZ       LYS  55 -16.841   1.021   1.021
 1176   2HZ   LYS  55          1HZ       LYS  55 -17.517   2.346   2.346
 1177   3HZ   LYS  55          3HZ       LYS  55 -16.206   2.581   2.581
 1178    H    VAL  56           H        VAL  56 -15.779  -1.443  -1.443
 1179    HA   VAL  56           HA       VAL  56 -13.406  -2.797  -2.797
 1180    HB   VAL  56           HB       VAL  56 -16.117  -3.364  -3.364
 1181   1HG1  VAL  56          2HG1      VAL  56 -13.550  -4.790  -4.790
 1182   2HG1  VAL  56          1HG1      VAL  56 -14.274  -4.282  -4.282
 1183   3HG1  VAL  56          3HG1      VAL  56 -15.181  -5.313  -5.313
 1184   1HG2  VAL  56          1HG2      VAL  56 -14.557  -1.173  -1.173
 1185   2HG2  VAL  56          3HG2      VAL  56 -15.540  -1.814  -1.814
 1186   3HG2  VAL  56          2HG2      VAL  56 -13.825  -2.203  -2.203
 1187    H    MET  57           H        MET  57 -16.519  -4.392  -4.392
 1188    HA   MET  57           HA       MET  57 -15.319  -6.972  -6.972
 1189   1HB   MET  57          2HB       MET  57 -17.979  -5.706  -5.706
 1190   2HB   MET  57          1HB       MET  57 -17.619  -7.426  -7.426
 1191   1HG   MET  57          2HG       MET  57 -16.913  -7.225  -7.225
 1192   2HG   MET  57          1HG       MET  57 -17.931  -5.785  -5.785
 1193   1HE   MET  57          2HE       MET  57 -17.940  -8.533  -8.533
 1194   2HE   MET  57          1HE       MET  57 -19.315  -9.587  -9.587
 1195   3HE   MET  57          3HE       MET  57 -17.870  -9.684  -9.684
 1196    H    GLU  58           H        GLU  58 -16.397  -4.266  -4.266
 1197    HA   GLU  58           HA       GLU  58 -16.227  -5.304  -5.304
 1198   1HB   GLU  58          2HB       GLU  58 -16.765  -3.073  -3.073
 1199   2HB   GLU  58          1HB       GLU  58 -15.553  -2.716  -2.716
 1200   1HG   GLU  58          2HG       GLU  58 -15.015  -1.711  -1.711
 1201   2HG   GLU  58          1HG       GLU  58 -13.774  -2.831  -2.831
 1202    H    THR  59           H        THR  59 -13.417  -4.138  -4.138
 1203    HA   THR  59           HA       THR  59 -11.509  -5.096  -5.096
 1204    HB   THR  59           HB       THR  59 -11.264  -4.025  -4.025
 1205    HG1  THR  59           HG1      THR  59 -11.261  -2.945  -2.945
 1206   1HG2  THR  59          1HG2      THR  59  -9.354  -5.525  -5.525
 1207   2HG2  THR  59          3HG2      THR  59  -9.027  -4.155  -4.155
 1208   3HG2  THR  59          2HG2      THR  59  -8.933  -3.957  -3.957
 1209    H    LEU  60           H        LEU  60 -12.355  -6.044  -6.044
 1210    HA   LEU  60           HA       LEU  60 -10.646  -8.222  -8.222
 1211   1HB   LEU  60          2HB       LEU  60 -12.197  -7.278  -7.278
 1212   2HB   LEU  60          1HB       LEU  60 -13.566  -7.920  -7.920
 1213    HG   LEU  60           HG       LEU  60 -12.888 -10.188 -10.188
 1214   1HD1  LEU  60          3HD1      LEU  60 -10.312  -8.873  -8.873
 1215   2HD1  LEU  60          2HD1      LEU  60 -10.729 -10.186 -10.186
 1216   3HD1  LEU  60          1HD1      LEU  60 -10.631 -10.487 -10.487
 1217   1HD2  LEU  60          1HD2      LEU  60 -13.058  -8.269  -8.269
 1218   2HD2  LEU  60          3HD2      LEU  60 -14.030  -9.702  -9.702
 1219   3HD2  LEU  60          2HD2      LEU  60 -12.439  -9.871  -9.871
 1220    H    ASP  61           H        ASP  61 -13.644  -8.076  -8.076
 1221    HA   ASP  61           HA       ASP  61 -13.865 -10.911 -10.911
 1222   1HB   ASP  61          2HB       ASP  61 -15.042  -8.346  -8.346
 1223   2HB   ASP  61          1HB       ASP  61 -15.132  -9.660  -9.660
 1224    H    SER  62           H        SER  62 -12.151  -8.251  -8.251
 1225    HA   SER  62           HA       SER  62 -11.339  -9.957  -9.957
 1226   1HB   SER  62          2HB       SER  62  -9.958  -7.509  -7.509
 1227   2HB   SER  62          1HB       SER  62 -11.414  -7.898  -7.898
 1228    HG   SER  62           HG       SER  62 -11.452  -6.027  -6.027
 1229    H    ASP  63           H        ASP  63  -9.643  -8.030  -8.030
 1230    HA   ASP  63           HA       ASP  63  -7.428  -8.309  -8.309
 1231   1HB   ASP  63          2HB       ASP  63  -8.603 -11.093 -11.093
 1232   2HB   ASP  63          1HB       ASP  63  -7.099 -10.765 -10.765
 1233    H    GLY  64           H        GLY  64  -6.703  -7.601  -7.601
 1234   1HA   GLY  64          2HA       GLY  64  -5.394  -7.997  -7.997
 1235   2HA   GLY  64          1HA       GLY  64  -4.539  -9.161  -9.161
 1236    H    ASP  65           H        ASP  65  -7.942  -9.431  -9.431
 1237    HA   ASP  65           HA       ASP  65  -9.246 -11.034 -11.034
 1238   1HB   ASP  65          2HB       ASP  65  -7.969 -10.118 -10.118
 1239   2HB   ASP  65          1HB       ASP  65  -6.726 -11.337 -11.337
 1240    H    GLY  66           H        GLY  66  -8.998 -12.235 -12.235
 1241   1HA   GLY  66          2HA       GLY  66  -8.604 -14.227 -14.227
 1242   2HA   GLY  66          1HA       GLY  66  -8.284 -14.963 -14.963
 1243    H    GLU  67           H        GLU  67  -6.360 -12.216 -12.216
 1244    HA   GLU  67           HA       GLU  67  -4.161 -13.836 -13.836
 1245   1HB   GLU  67          2HB       GLU  67  -3.948 -14.227 -14.227
 1246   2HB   GLU  67          1HB       GLU  67  -4.183 -12.516 -12.516
 1247   1HG   GLU  67          2HG       GLU  67  -1.970 -12.162 -12.162
 1248   2HG   GLU  67          1HG       GLU  67  -2.016 -12.750 -12.750
 1249    H    CYS  68           H        CYS  68  -4.430 -12.268 -12.268
 1250    HA   CYS  68           HA       CYS  68  -3.858  -9.417  -9.417
 1251   1HB   CYS  68          2HB       CYS  68  -5.420 -10.697 -10.697
 1252   2HB   CYS  68          1HB       CYS  68  -3.960 -10.476 -10.476
 1253    HG   CYS  68           HG       CYS  68  -4.272  -7.835  -7.835
 1254    H    ASP  69           H        ASP  69  -1.650  -9.555  -9.555
 1255    HA   ASP  69           HA       ASP  69   0.378 -10.807 -10.807
 1256   1HB   ASP  69          2HB       ASP  69   0.201 -10.850 -10.850
 1257   2HB   ASP  69          1HB       ASP  69   0.738  -9.179  -9.179
 1258    H    PHE  70           H        PHE  70   2.477  -9.441  -9.441
 1259    HA   PHE  70           HA       PHE  70   2.880  -7.816  -7.816
 1260   1HB   PHE  70          2HB       PHE  70   3.772  -7.616  -7.616
 1261   2HB   PHE  70          1HB       PHE  70   4.261  -6.327  -6.327
 1262    HD1  PHE  70           HD1      PHE  70   4.462  -9.933  -9.933
 1263    HD2  PHE  70           HD2      PHE  70   5.676  -6.774  -6.774
 1264    HE1  PHE  70           HE1      PHE  70   6.098 -11.449 -11.449
 1265    HE2  PHE  70           HE2      PHE  70   7.322  -8.288  -8.288
 1266    HZ   PHE  70           HZ       PHE  70   7.485 -10.647 -10.647
 1267    H    GLN  71           H        GLN  71   2.528  -5.743  -5.743
 1268    HA   GLN  71           HA       GLN  71   1.603  -3.498  -3.498
 1269   1HB   GLN  71          2HB       GLN  71   1.070  -2.697  -2.697
 1270   2HB   GLN  71          1HB       GLN  71   2.690  -3.369  -3.369
 1271   1HG   GLN  71          2HG       GLN  71   2.270  -5.145  -5.145
 1272   2HG   GLN  71          1HG       GLN  71   0.641  -5.363  -5.363
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.809  -3.843  -3.843
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.949  -4.949  -4.949
 1275    H    GLU  72           H        GLU  72  -0.153  -6.282  -6.282
 1276    HA   GLU  72           HA       GLU  72  -2.759  -4.993  -4.993
 1277   1HB   GLU  72          2HB       GLU  72  -2.190  -7.894  -7.894
 1278   2HB   GLU  72          1HB       GLU  72  -3.483  -7.217  -7.217
 1279   1HG   GLU  72          2HG       GLU  72  -1.148  -6.269  -6.269
 1280   2HG   GLU  72          1HG       GLU  72  -0.753  -7.931  -7.931
 1281    H    PHE  73           H        PHE  73  -0.976  -6.657  -6.657
 1282    HA   PHE  73           HA       PHE  73  -3.127  -6.803  -6.803
 1283   1HB   PHE  73          2HB       PHE  73  -1.318  -8.081  -8.081
 1284   2HB   PHE  73          1HB       PHE  73  -0.162  -6.954  -6.954
 1285    HD1  PHE  73           HD1      PHE  73  -2.853  -6.212  -6.212
 1286    HD2  PHE  73           HD2      PHE  73   1.366  -6.627  -6.627
 1287    HE1  PHE  73           HE1      PHE  73  -2.384  -5.276  -5.276
 1288    HE2  PHE  73           HE2      PHE  73   1.832  -5.704  -5.704
 1289    HZ   PHE  73           HZ       PHE  73  -0.046  -5.019  -5.019
 1290    H    MET  74           H        MET  74  -0.436  -4.434  -4.434
 1291    HA   MET  74           HA       MET  74  -1.597  -2.568  -2.568
 1292   1HB   MET  74          2HB       MET  74   0.392  -2.253  -2.253
 1293   2HB   MET  74          1HB       MET  74   0.129  -1.060  -1.060
 1294   1HG   MET  74          2HG       MET  74   0.753  -2.752  -2.752
 1295   2HG   MET  74          1HG       MET  74   1.050  -3.920  -3.920
 1296   1HE   MET  74          3HE       MET  74   2.293  -1.085  -1.085
 1297   2HE   MET  74          2HE       MET  74   3.482  -0.223  -0.223
 1298   3HE   MET  74          1HE       MET  74   1.776  -0.130  -0.130
 1299    H    ALA  75           H        ALA  75  -2.102  -3.214  -3.214
 1300    HA   ALA  75           HA       ALA  75  -3.244  -0.694  -0.694
 1301   1HB   ALA  75          2HB       ALA  75  -3.250  -3.549  -3.549
 1302   2HB   ALA  75          1HB       ALA  75  -4.372  -2.426  -2.426
 1303   3HB   ALA  75          3HB       ALA  75  -2.636  -2.121  -2.121
 1304    H    PHE  76           H        PHE  76  -4.965  -3.787  -3.787
 1305    HA   PHE  76           HA       PHE  76  -7.545  -2.594  -2.594
 1306   1HB   PHE  76          2HB       PHE  76  -7.463  -4.887  -4.887
 1307   2HB   PHE  76          1HB       PHE  76  -6.266  -5.220  -5.220
 1308    HD1  PHE  76           HD1      PHE  76  -6.932  -5.158  -5.158
 1309    HD2  PHE  76           HD2      PHE  76  -9.809  -4.920  -4.920
 1310    HE1  PHE  76           HE1      PHE  76  -8.739  -5.740  -5.740
 1311    HE2  PHE  76           HE2      PHE  76 -11.617  -5.501  -5.501
 1312    HZ   PHE  76           HZ       PHE  76 -11.083  -5.911  -5.911
 1313    H    VAL  77           H        VAL  77  -5.230  -3.718  -3.718
 1314    HA   VAL  77           HA       VAL  77  -6.720  -3.190  -3.190
 1315    HB   VAL  77           HB       VAL  77  -4.191  -3.917  -3.917
 1316   1HG1  VAL  77          3HG1      VAL  77  -3.565  -1.595  -1.595
 1317   2HG1  VAL  77          2HG1      VAL  77  -3.878  -1.043  -1.043
 1318   3HG1  VAL  77          1HG1      VAL  77  -2.586  -2.203  -2.203
 1319   1HG2  VAL  77          1HG2      VAL  77  -5.505  -2.731  -2.731
 1320   2HG2  VAL  77          3HG2      VAL  77  -4.919  -4.375  -4.375
 1321   3HG2  VAL  77          2HG2      VAL  77  -3.778  -3.078  -3.078
 1322    H    ALA  78           H        ALA  78  -5.038  -0.922  -0.922
 1323    HA   ALA  78           HA       ALA  78  -5.711   1.483   1.483
 1324   1HB   ALA  78          1HB       ALA  78  -3.828   0.857   0.857
 1325   2HB   ALA  78          3HB       ALA  78  -5.042   1.401   1.401
 1326   3HB   ALA  78          2HB       ALA  78  -4.454   2.504   2.504
 1327    H    MET  79           H        MET  79  -7.036  -0.272  -0.272
 1328    HA   MET  79           HA       MET  79  -8.977   1.644   1.644
 1329   1HB   MET  79          2HB       MET  79  -8.159  -0.847  -0.847
 1330   2HB   MET  79          1HB       MET  79  -9.704  -1.240  -1.240
 1331   1HG   MET  79          2HG       MET  79  -9.286   0.822   0.822
 1332   2HG   MET  79          1HG       MET  79  -9.988  -0.781  -0.781
 1333   1HE   MET  79          2HE       MET  79 -12.029  -1.554  -1.554
 1334   2HE   MET  79          1HE       MET  79 -12.072  -1.372  -1.372
 1335   3HE   MET  79          3HE       MET  79 -13.400  -0.754  -0.754
 1336    H    ILE  80           H        ILE  80  -9.153  -0.958  -0.958
 1337    HA   ILE  80           HA       ILE  80 -11.858  -0.571  -0.571
 1338    HB   ILE  80           HB       ILE  80  -9.395  -1.255  -1.255
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.490  -2.630  -2.630
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.842  -3.598  -3.598
 1341   1HG2  ILE  80          2HG2      ILE  80 -12.352  -1.692  -1.692
 1342   2HG2  ILE  80          1HG2      ILE  80 -11.198  -2.787  -2.787
 1343   3HG2  ILE  80          3HG2      ILE  80 -11.183  -1.071  -1.071
 1344   1HD1  ILE  80          3HD1      ILE  80 -12.260  -2.392  -2.392
 1345   2HD1  ILE  80          2HD1      ILE  80 -11.447  -3.359  -3.359
 1346   3HD1  ILE  80          1HD1      ILE  80 -11.908  -4.091  -4.091
 1347    H    THR  81           H        THR  81  -8.873   0.483   0.483
 1348    HA   THR  81           HA       THR  81  -9.735   2.289   2.289
 1349    HB   THR  81           HB       THR  81  -7.496   3.451   3.451
 1350    HG1  THR  81           HG1      THR  81  -7.093   0.717   0.717
 1351   1HG2  THR  81          1HG2      THR  81  -8.164   2.094   2.094
 1352   2HG2  THR  81          3HG2      THR  81  -6.688   1.361   1.361
 1353   3HG2  THR  81          2HG2      THR  81  -6.744   3.100   3.100
 1354    H    THR  82           H        THR  82  -9.264   2.954   2.954
 1355    HA   THR  82           HA       THR  82  -9.999   5.750   5.750
 1356    HB   THR  82           HB       THR  82 -10.519   5.063   5.063
 1357    HG1  THR  82           HG1      THR  82 -10.128   3.012   3.012
 1358   1HG2  THR  82          2HG2      THR  82  -7.803   5.293   5.293
 1359   2HG2  THR  82          1HG2      THR  82  -8.102   5.455   5.455
 1360   3HG2  THR  82          3HG2      THR  82  -8.798   6.617   6.617
 1361    H    ALA  83           H        ALA  83 -11.808   2.768   2.768
 1362    HA   ALA  83           HA       ALA  83 -14.307   4.200   4.200
 1363   1HB   ALA  83          3HB       ALA  83 -13.506   2.003   2.003
 1364   2HB   ALA  83          2HB       ALA  83 -13.827   1.273   1.273
 1365   3HB   ALA  83          1HB       ALA  83 -15.148   1.981   1.981
 1366    H    CYS  84           H        CYS  84 -12.615   3.261   3.261
 1367    HA   CYS  84           HA       CYS  84 -14.873   2.574   2.574
 1368   1HB   CYS  84          2HB       CYS  84 -12.617   1.897   1.897
 1369   2HB   CYS  84          1HB       CYS  84 -12.071   3.576   3.576
 1370    HG   CYS  84           HG       CYS  84 -14.342   3.029   3.029
 1371    H    HIS  85           H        HIS  85 -12.949   5.237   5.237
 1372    HA   HIS  85           HA       HIS  85 -15.414   6.957   6.957
 1373   1HB   HIS  85          2HB       HIS  85 -14.283   5.815   5.815
 1374   2HB   HIS  85          1HB       HIS  85 -13.398   7.340   7.340
 1375    HD1  HIS  85           HD1      HIS  85 -16.040   6.191   6.191
 1376    HD2  HIS  85           HD2      HIS  85 -15.796   9.389   9.389
 1377    HE1  HIS  85           HE1      HIS  85 -17.948   7.752   7.752
 1378    H    GLU  86           H        GLU  86 -13.860   9.108   9.108
 1379    HA   GLU  86           HA       GLU  86 -13.247  10.875  10.875
 1380   1HB   GLU  86          2HB       GLU  86 -13.123  11.335  11.335
 1381   2HB   GLU  86          1HB       GLU  86 -11.658  10.360  10.360
 1382   1HG   GLU  86          2HG       GLU  86 -10.482  12.232  12.232
 1383   2HG   GLU  86          1HG       GLU  86 -11.139  12.161  12.161
 1384    H    PHE  87           H        PHE  87 -10.198  10.012  10.012
 1385    HA   PHE  87           HA       PHE  87  -9.178   9.412   9.412
 1386   1HB   PHE  87          2HB       PHE  87  -8.325  11.214  11.214
 1387   2HB   PHE  87          1HB       PHE  87  -7.309   9.828   9.828
 1388    HD1  PHE  87           HD2      PHE  87  -6.159   8.561   8.561
 1389    HD2  PHE  87           HD1      PHE  87  -7.741  12.548  12.548
 1390    HE1  PHE  87           HE2      PHE  87  -4.919   8.877   8.877
 1391    HE2  PHE  87           HE1      PHE  87  -6.431  12.883  12.883
 1392    HZ   PHE  87           HZ       PHE  87  -5.020  11.061  11.061
 1393    H    PHE  88           H        PHE  88  -8.799   7.296   7.296
 1394    HA   PHE  88           HA       PHE  88  -8.140   5.048   5.048
 1395   1HB   PHE  88          2HB       PHE  88  -6.813   6.681   6.681
 1396   2HB   PHE  88          1HB       PHE  88  -6.821   4.962   4.962
 1397    HD1  PHE  88           HD1      PHE  88  -6.617   6.779   6.779
 1398    HD2  PHE  88           HD2      PHE  88  -4.568   4.289   4.289
 1399    HE1  PHE  88           HE1      PHE  88  -4.683   6.748   6.748
 1400    HE2  PHE  88           HE2      PHE  88  -2.623   4.189   4.189
 1401    HZ   PHE  88           HZ       PHE  88  -2.679   5.420   5.420
 1402    H    GLU  89           H        GLU  89  -8.062   3.769   3.769
 1403    HA   GLU  89           HA       GLU  89 -10.989   3.522   3.522
 1404   1HB   GLU  89          2HB       GLU  89  -9.755   1.486   1.486
 1405   2HB   GLU  89          1HB       GLU  89  -8.584   1.977   1.977
 1406   1HG   GLU  89          2HG       GLU  89 -11.134   2.137   2.137
 1407   2HG   GLU  89          1HG       GLU  89 -11.088   0.600   0.600
 1408    H    HIS  90           H        HIS  90  -8.771   2.999   2.999
 1409    HA   HIS  90           HA       HIS  90 -10.393   4.484   4.484
 1410   1HB   HIS  90          2HB       HIS  90  -7.785   3.074   3.074
 1411   2HB   HIS  90          1HB       HIS  90  -7.956   4.279   4.279
 1412    HD1  HIS  90           HD1      HIS  90 -11.250   3.509   3.509
 1413    HD2  HIS  90           HD2      HIS  90  -7.959   1.106   1.106
 1414    HE1  HIS  90           HE1      HIS  90 -12.115   1.616   1.616
 1415    H    GLU  91           H        GLU  91 -10.324   6.431   6.431
 1416    HA   GLU  91           HA       GLU  91  -8.000   8.132   8.132
 1417   1HB   GLU  91          2HB       GLU  91  -9.658   9.774   9.774
 1418   2HB   GLU  91          1HB       GLU  91  -9.831   8.197   8.197
 1419   1HG   GLU  91          2HG       GLU  91 -12.042   8.556   8.556
 1420   2HG   GLU  91          1HG       GLU  91 -11.509   7.815   7.815

  Start of MODEL   15
    1   1H    MET   0          2H        MET   0   0.848  -9.170  -9.170
    2   2H    MET   0          1H        MET   0  -0.284 -10.427 -10.427
    3   3H    MET   0          3H        MET   0   1.259 -10.749 -10.749
    4    HA   MET   0           HA       MET   0   0.808  -9.756  -9.756
    5   1HB   MET   0          2HB       MET   0  -1.154 -10.942 -10.942
    6   2HB   MET   0          1HB       MET   0  -0.512 -11.855 -11.855
    7   1HG   MET   0          2HG       MET   0  -2.085 -10.697 -10.697
    8   2HG   MET   0          1HG       MET   0  -2.735  -9.797  -9.797
    9   1HE   MET   0          1HE       MET   0  -4.177 -11.665 -11.665
   10   2HE   MET   0          3HE       MET   0  -5.105 -10.759 -10.759
   11   3HE   MET   0          2HE       MET   0  -5.404 -12.480 -12.480
   12    H    SER   1           H        SER   1  -1.619  -8.809  -8.809
   13    HA   SER   1           HA       SER   1  -3.210  -6.971  -6.971
   14   1HB   SER   1          2HB       SER   1  -2.457  -5.643  -5.643
   15   2HB   SER   1          1HB       SER   1  -3.680  -6.906  -6.906
   16    HG   SER   1           HG       SER   1  -2.237  -7.613  -7.613
   17    H    GLU   2           H        GLU   2   0.253  -6.619  -6.619
   18    HA   GLU   2           HA       GLU   2   0.759  -3.907  -3.907
   19   1HB   GLU   2          2HB       GLU   2   2.091  -6.379  -6.379
   20   2HB   GLU   2          1HB       GLU   2   2.404  -5.373  -5.373
   21   1HG   GLU   2          2HG       GLU   2   3.544  -3.771  -3.771
   22   2HG   GLU   2          1HG       GLU   2   2.645  -4.107  -4.107
   23    H    LEU   3           H        LEU   3  -0.511  -6.108  -6.108
   24    HA   LEU   3           HA       LEU   3  -0.232  -4.636  -4.636
   25   1HB   LEU   3          2HB       LEU   3  -1.018  -7.013  -7.013
   26   2HB   LEU   3          1HB       LEU   3  -2.573  -6.323  -6.323
   27    HG   LEU   3           HG       LEU   3  -1.315  -5.692  -5.692
   28   1HD1  LEU   3          3HD1      LEU   3  -2.017  -8.257  -8.257
   29   2HD1  LEU   3          2HD1      LEU   3  -3.445  -7.688  -7.688
   30   3HD1  LEU   3          1HD1      LEU   3  -1.879  -7.718  -7.718
   31   1HD2  LEU   3          2HD2      LEU   3  -3.768  -5.067  -5.067
   32   2HD2  LEU   3          1HD2      LEU   3  -3.154  -4.372  -4.372
   33   3HD2  LEU   3          3HD2      LEU   3  -4.120  -5.848  -5.848
   34    H    GLU   4           H        GLU   4  -3.249  -4.892  -4.892
   35    HA   GLU   4           HA       GLU   4  -4.501  -2.581  -2.581
   36   1HB   GLU   4          2HB       GLU   4  -5.912  -4.111  -4.111
   37   2HB   GLU   4          1HB       GLU   4  -4.831  -4.290  -4.290
   38   1HG   GLU   4          2HG       GLU   4  -6.813  -3.006  -3.006
   39   2HG   GLU   4          1HG       GLU   4  -5.387  -1.969  -1.969
   40    H    LYS   5           H        LYS   5  -2.578  -3.102  -3.102
   41    HA   LYS   5           HA       LYS   5  -2.783  -0.498  -0.498
   42   1HB   LYS   5          2HB       LYS   5  -0.415  -2.397  -2.397
   43   2HB   LYS   5          1HB       LYS   5  -0.891  -1.255  -1.255
   44   1HG   LYS   5          2HG       LYS   5  -3.089  -3.072  -3.072
   45   2HG   LYS   5          1HG       LYS   5  -1.654  -3.944  -3.944
   46   1HD   LYS   5          2HD       LYS   5  -2.427  -1.533  -1.533
   47   2HD   LYS   5          1HD       LYS   5  -3.437  -2.970  -2.970
   48   1HE   LYS   5          2HE       LYS   5  -1.848  -4.056  -4.056
   49   2HE   LYS   5          1HE       LYS   5  -0.564  -3.584  -3.584
   50   1HZ   LYS   5          3HZ       LYS   5  -1.836  -1.681  -1.681
   51   2HZ   LYS   5          2HZ       LYS   5  -0.416  -2.537  -2.537
   52   3HZ   LYS   5          1HZ       LYS   5  -0.434  -1.442  -1.442
   53    H    ALA   6           H        ALA   6  -1.195  -1.676  -1.676
   54    HA   ALA   6           HA       ALA   6   0.773   0.499   0.499
   55   1HB   ALA   6          3HB       ALA   6   1.008  -1.853  -1.853
   56   2HB   ALA   6          2HB       ALA   6  -0.247  -1.444  -1.444
   57   3HB   ALA   6          1HB       ALA   6   1.288  -0.578  -0.578
   58    H    VAL   7           H        VAL   7  -2.319  -0.417  -0.417
   59    HA   VAL   7           HA       VAL   7  -2.600   1.794   1.794
   60    HB   VAL   7           HB       VAL   7  -4.091  -0.418  -0.418
   61   1HG1  VAL   7          3HG1      VAL   7  -5.595   2.200   2.200
   62   2HG1  VAL   7          2HG1      VAL   7  -6.377   0.622   0.622
   63   3HG1  VAL   7          1HG1      VAL   7  -5.338   1.000   1.000
   64   1HG2  VAL   7          1HG2      VAL   7  -3.667   0.735   0.735
   65   2HG2  VAL   7          3HG2      VAL   7  -5.046  -0.329  -0.329
   66   3HG2  VAL   7          2HG2      VAL   7  -5.258   1.421   1.421
   67    H    VAL   8           H        VAL   8  -3.244   1.457   1.457
   68    HA   VAL   8           HA       VAL   8  -4.395   4.083   4.083
   69    HB   VAL   8           HB       VAL   8  -2.989   2.047   2.047
   70   1HG1  VAL   8          1HG1      VAL   8  -3.984   4.808   4.808
   71   2HG1  VAL   8          3HG1      VAL   8  -4.136   3.535   3.535
   72   3HG1  VAL   8          2HG1      VAL   8  -2.545   3.977   3.977
   73   1HG2  VAL   8          2HG2      VAL   8  -5.522   2.096   2.096
   74   2HG2  VAL   8          1HG2      VAL   8  -5.076   1.234   1.234
   75   3HG2  VAL   8          3HG2      VAL   8  -5.782   2.848   2.848
   76    H    ALA   9           H        ALA   9  -1.122   2.722   2.722
   77    HA   ALA   9           HA       ALA   9   0.306   5.004   5.004
   78   1HB   ALA   9          1HB       ALA   9   0.777   2.421   2.421
   79   2HB   ALA   9          3HB       ALA   9   1.813   3.611   3.611
   80   3HB   ALA   9          2HB       ALA   9   1.887   3.399   3.399
   81    H    LEU  10           H        LEU  10  -0.980   4.133   4.133
   82    HA   LEU  10           HA       LEU  10   0.358   6.203   6.203
   83   1HB   LEU  10          2HB       LEU  10  -2.440   5.422   5.422
   84   2HB   LEU  10          1HB       LEU  10  -1.022   5.550   5.550
   85    HG   LEU  10           HG       LEU  10  -1.643   3.277   3.277
   86   1HD1  LEU  10          2HD1      LEU  10  -1.401   3.465   3.465
   87   2HD1  LEU  10          1HD1      LEU  10  -1.603   1.957   1.957
   88   3HD1  LEU  10          3HD1      LEU  10  -2.880   3.175   3.175
   89   1HD2  LEU  10          2HD2      LEU  10   0.876   4.227   4.227
   90   2HD2  LEU  10          1HD2      LEU  10   0.620   3.090   3.090
   91   3HD2  LEU  10          3HD2      LEU  10   0.530   2.534   2.534
   92    H    ILE  11           H        ILE  11  -3.029   5.959   5.959
   93    HA   ILE  11           HA       ILE  11  -3.992   8.425   8.425
   94    HB   ILE  11           HB       ILE  11  -5.669   7.880   7.880
   95   1HG1  ILE  11          2HG1      ILE  11  -3.648   7.114   7.114
   96   2HG1  ILE  11          1HG1      ILE  11  -4.420   8.689   8.689
   97   1HG2  ILE  11          1HG2      ILE  11  -4.988   5.677   5.677
   98   2HG2  ILE  11          3HG2      ILE  11  -4.066   5.364   5.364
   99   3HG2  ILE  11          2HG2      ILE  11  -5.814   5.515   5.515
  100   1HD1  ILE  11          3HD1      ILE  11  -6.045   6.161   6.161
  101   2HD1  ILE  11          2HD1      ILE  11  -5.452   7.016   7.016
  102   3HD1  ILE  11          1HD1      ILE  11  -6.552   7.823   7.823
  103    H    ASP  12           H        ASP  12  -1.720   7.636   7.636
  104    HA   ASP  12           HA       ASP  12  -1.622  10.339  10.339
  105   1HB   ASP  12          2HB       ASP  12  -0.538   7.659   7.659
  106   2HB   ASP  12          1HB       ASP  12   0.732   8.879   8.879
  107    H    VAL  13           H        VAL  13   0.570   8.294   8.294
  108    HA   VAL  13           HA       VAL  13   2.413  10.332  10.332
  109    HB   VAL  13           HB       VAL  13   1.499   7.713   7.713
  110   1HG1  VAL  13          2HG1      VAL  13   2.556   9.364   9.364
  111   2HG1  VAL  13          1HG1      VAL  13   4.026   9.227   9.227
  112   3HG1  VAL  13          3HG1      VAL  13   3.368   7.806   7.806
  113   1HG2  VAL  13          3HG2      VAL  13   3.513   8.571   8.571
  114   2HG2  VAL  13          2HG2      VAL  13   2.620   7.055   7.055
  115   3HG2  VAL  13          1HG2      VAL  13   4.034   7.330   7.330
  116    H    PHE  14           H        PHE  14  -0.171   8.824   8.824
  117    HA   PHE  14           HA       PHE  14  -0.101  10.649  10.649
  118   1HB   PHE  14          2HB       PHE  14  -1.882   8.579   8.579
  119   2HB   PHE  14          1HB       PHE  14  -2.853  10.037  10.037
  120    HD1  PHE  14           HD2      PHE  14   0.015   8.744   8.744
  121    HD2  PHE  14           HD1      PHE  14  -3.841  10.621  10.621
  122    HE1  PHE  14           HE2      PHE  14   0.129   8.931   8.931
  123    HE2  PHE  14           HE1      PHE  14  -3.708  10.824  10.824
  124    HZ   PHE  14           HZ       PHE  14  -1.744   9.958   9.958
  125    H    HIS  15           H        HIS  15  -1.933  11.032  11.032
  126    HA   HIS  15           HA       HIS  15  -3.245  13.445  13.445
  127   1HB   HIS  15          2HB       HIS  15  -3.402  12.285  12.285
  128   2HB   HIS  15          1HB       HIS  15  -1.673  12.471  12.471
  129    HD1  HIS  15           HD1      HIS  15  -4.918  14.208  14.208
  130    HD2  HIS  15           HD2      HIS  15  -0.880  15.222  15.222
  131    HE1  HIS  15           HE1      HIS  15  -4.810  16.480  16.480
  132    H    GLN  16           H        GLN  16   0.191  12.907  12.907
  133    HA   GLN  16           HA       GLN  16   0.904  15.737  15.737
  134   1HB   GLN  16          2HB       GLN  16   2.508  13.168  13.168
  135   2HB   GLN  16          1HB       GLN  16   3.185  14.769  14.769
  136   1HG   GLN  16          2HG       GLN  16   1.148  14.420  14.420
  137   2HG   GLN  16          1HG       GLN  16   2.016  12.884  12.884
  138   1HE2  GLN  16          2HE2      GLN  16   5.017  14.220  14.220
  139   2HE2  GLN  16          1HE2      GLN  16   4.319  12.901  12.901
  140    H    TYR  17           H        TYR  17   2.091  13.108  13.108
  141    HA   TYR  17           HA       TYR  17   3.071  14.440  14.440
  142   1HB   TYR  17          2HB       TYR  17   1.428  11.952  11.952
  143   2HB   TYR  17          1HB       TYR  17   1.895  12.455  12.455
  144    HD1  TYR  17           HD1      TYR  17   3.121  11.338  11.338
  145    HD2  TYR  17           HD2      TYR  17   4.201  12.392  12.392
  146    HE1  TYR  17           HE1      TYR  17   5.364  10.348  10.348
  147    HE2  TYR  17           HE2      TYR  17   6.452  11.423  11.423
  148    HH   TYR  17           HH       TYR  17   7.961  10.972  10.972
  149    H    SER  18           H        SER  18  -0.292  13.258  13.258
  150    HA   SER  18           HA       SER  18  -0.998  15.202  15.202
  151   1HB   SER  18          2HB       SER  18  -3.183  13.738  13.738
  152   2HB   SER  18          1HB       SER  18  -2.564  13.604  13.604
  153    HG   SER  18           HG       SER  18  -0.867  12.304  12.304
  154    H    GLY  19           H        GLY  19  -0.444  15.940  15.940
  155   1HA   GLY  19          2HA       GLY  19  -2.531  18.003  18.003
  156   2HA   GLY  19          1HA       GLY  19  -2.633  16.827  16.827
  157    H    ARG  20           H        ARG  20   0.431  17.886  17.886
  158    HA   ARG  20           HA       ARG  20   1.057  19.201  19.201
  159   1HB   ARG  20          2HB       ARG  20   3.373  18.500  18.500
  160   2HB   ARG  20          1HB       ARG  20   2.295  17.105  17.105
  161   1HG   ARG  20          2HG       ARG  20   2.210  17.284  17.284
  162   2HG   ARG  20          1HG       ARG  20   3.233  18.721  18.721
  163   1HD   ARG  20          2HD       ARG  20   4.380  16.424  16.424
  164   2HD   ARG  20          1HD       ARG  20   4.188  16.151  16.151
  165    HE   ARG  20           HE       ARG  20   5.362  18.403  18.403
  166   1HH1  ARG  20          2HH1      ARG  20   5.353  18.609  18.609
  167   2HH1  ARG  20          1HH1      ARG  20   7.036  18.342  18.342
  168   1HH2  ARG  20          1HH2      ARG  20   7.702  17.143  17.143
  169   2HH2  ARG  20          2HH2      ARG  20   8.366  17.511  17.511
  170    H    GLU  21           H        GLU  21   0.392  19.853  19.853
  171    HA   GLU  21           HA       GLU  21   1.959  22.405  22.405
  172   1HB   GLU  21          2HB       GLU  21   2.005  22.039  22.039
  173   2HB   GLU  21          1HB       GLU  21   3.095  21.077  21.077
  174   1HG   GLU  21          2HG       GLU  21   1.948  19.130  19.130
  175   2HG   GLU  21          1HG       GLU  21   0.384  19.944  19.944
  176    H    GLY  22           H        GLY  22   0.073  21.833  21.833
  177   1HA   GLY  22          2HA       GLY  22  -2.107  23.543  23.543
  178   2HA   GLY  22          1HA       GLY  22  -1.500  23.730  23.730
  179    H    ASP  23           H        ASP  23  -1.277  20.623  20.623
  180    HA   ASP  23           HA       ASP  23  -3.753  20.119  20.119
  181   1HB   ASP  23          2HB       ASP  23  -1.447  18.495  18.495
  182   2HB   ASP  23          1HB       ASP  23  -2.839  17.691  17.691
  183    H    LYS  24           H        LYS  24  -5.441  18.602  18.602
  184    HA   LYS  24           HA       LYS  24  -6.037  18.846  18.846
  185   1HB   LYS  24          2HB       LYS  24  -7.618  19.434  19.434
  186   2HB   LYS  24          1HB       LYS  24  -7.707  17.706  17.706
  187   1HG   LYS  24          2HG       LYS  24  -9.414  17.678  17.678
  188   2HG   LYS  24          1HG       LYS  24  -8.152  17.769  17.769
  189   1HD   LYS  24          2HD       LYS  24  -8.379  20.115  20.115
  190   2HD   LYS  24          1HD       LYS  24  -9.274  20.257  20.257
  191   1HE   LYS  24          2HE       LYS  24 -11.256  19.428  19.428
  192   2HE   LYS  24          1HE       LYS  24 -10.398  18.589  18.589
  193   1HZ   LYS  24          1HZ       LYS  24  -9.605  20.910  20.910
  194   2HZ   LYS  24          3HZ       LYS  24 -10.861  21.491  21.491
  195   3HZ   LYS  24          2HZ       LYS  24 -11.216  20.509  20.509
  196    H    HIS  25           H        HIS  25  -6.584  16.200  16.200
  197    HA   HIS  25           HA       HIS  25  -5.291  14.309  14.309
  198   1HB   HIS  25          2HB       HIS  25  -8.096  14.416  14.416
  199   2HB   HIS  25          1HB       HIS  25  -7.375  12.835  12.835
  200    HD1  HIS  25           HD1      HIS  25  -9.633  14.638  14.638
  201    HD2  HIS  25           HD2      HIS  25  -5.753  13.579  13.579
  202    HE1  HIS  25           HE1      HIS  25  -9.541  14.776  14.776
  203    H    LYS  26           H        LYS  26  -3.871  15.051  15.051
  204    HA   LYS  26           HA       LYS  26  -3.912  12.696  12.696
  205   1HB   LYS  26          2HB       LYS  26  -5.375  14.588  14.588
  206   2HB   LYS  26          1HB       LYS  26  -3.893  15.529  15.529
  207   1HG   LYS  26          2HG       LYS  26  -2.965  13.831  13.831
  208   2HG   LYS  26          1HG       LYS  26  -4.426  12.850  12.850
  209   1HD   LYS  26          2HD       LYS  26  -5.253  14.006  14.006
  210   2HD   LYS  26          1HD       LYS  26  -5.405  15.349  15.349
  211   1HE   LYS  26          2HE       LYS  26  -2.674  15.204  15.204
  212   2HE   LYS  26          1HE       LYS  26  -3.773  15.283  15.283
  213   1HZ   LYS  26          1HZ       LYS  26  -4.955  17.101  17.101
  214   2HZ   LYS  26          3HZ       LYS  26  -3.828  17.065  17.065
  215   3HZ   LYS  26          2HZ       LYS  26  -3.331  17.503  17.503
  216    H    LEU  27           H        LEU  27  -1.884  12.769  12.769
  217    HA   LEU  27           HA       LEU  27   0.316  14.343  14.343
  218   1HB   LEU  27          2HB       LEU  27   0.139  11.418  11.418
  219   2HB   LEU  27          1HB       LEU  27   1.702  12.223  12.223
  220    HG   LEU  27           HG       LEU  27  -0.295  12.173  12.173
  221   1HD1  LEU  27          1HD1      LEU  27   0.833   9.981   9.981
  222   2HD1  LEU  27          3HD1      LEU  27   2.380  10.775  10.775
  223   3HD1  LEU  27          2HD1      LEU  27   1.212  10.616  10.616
  224   1HD2  LEU  27          1HD2      LEU  27   1.744  13.992  13.992
  225   2HD2  LEU  27          3HD2      LEU  27   1.004  13.705  13.705
  226   3HD2  LEU  27          2HD2      LEU  27   2.481  12.855  12.855
  227    H    LYS  28           H        LYS  28   1.957  15.008  15.008
  228    HA   LYS  28           HA       LYS  28   1.159  14.978  14.978
  229   1HB   LYS  28          2HB       LYS  28   2.383  16.815  16.815
  230   2HB   LYS  28          1HB       LYS  28   3.332  16.691  16.691
  231   1HG   LYS  28          2HG       LYS  28   1.776  17.802  17.802
  232   2HG   LYS  28          1HG       LYS  28   0.454  16.866  16.866
  233   1HD   LYS  28          2HD       LYS  28  -0.092  18.595  18.595
  234   2HD   LYS  28          1HD       LYS  28   1.521  18.566  18.566
  235   1HE   LYS  28          2HE       LYS  28   2.348  20.191  20.191
  236   2HE   LYS  28          1HE       LYS  28   1.104  19.853  19.853
  237   1HZ   LYS  28          1HZ       LYS  28  -0.570  20.628  20.628
  238   2HZ   LYS  28          3HZ       LYS  28   0.680  21.089  21.089
  239   3HZ   LYS  28          2HZ       LYS  28   0.512  21.854  21.854
  240    H    LYS  29           H        LYS  29   2.885  14.504  14.504
  241    HA   LYS  29           HA       LYS  29   4.437  12.232  12.232
  242   1HB   LYS  29          2HB       LYS  29   4.923  14.726  14.726
  243   2HB   LYS  29          1HB       LYS  29   5.883  13.257  13.257
  244   1HG   LYS  29          2HG       LYS  29   4.198  12.126  12.126
  245   2HG   LYS  29          1HG       LYS  29   2.958  12.836  12.836
  246   1HD   LYS  29          2HD       LYS  29   2.755  14.751  14.751
  247   2HD   LYS  29          1HD       LYS  29   4.358  14.545  14.545
  248   1HE   LYS  29          2HE       LYS  29   2.430  12.333  12.333
  249   2HE   LYS  29          1HE       LYS  29   2.099  13.869  13.869
  250   1HZ   LYS  29          2HZ       LYS  29   4.489  13.916  13.916
  251   2HZ   LYS  29          1HZ       LYS  29   4.639  12.333  12.333
  252   3HZ   LYS  29          3HZ       LYS  29   3.621  12.645  12.645
  253    H    SER  30           H        SER  30   5.043  15.488  15.488
  254    HA   SER  30           HA       SER  30   7.846  15.087  15.087
  255   1HB   SER  30          2HB       SER  30   5.723  17.105  17.105
  256   2HB   SER  30          1HB       SER  30   7.422  17.250  17.250
  257    HG   SER  30           HG       SER  30   6.394  18.160  18.160
  258    H    GLU  31           H        GLU  31   4.841  15.368  15.368
  259    HA   GLU  31           HA       GLU  31   6.035  14.706  14.706
  260   1HB   GLU  31          2HB       GLU  31   3.234  13.961  13.961
  261   2HB   GLU  31          1HB       GLU  31   3.765  14.251  14.251
  262   1HG   GLU  31          2HG       GLU  31   4.438  16.483  16.483
  263   2HG   GLU  31          1HG       GLU  31   2.703  16.168  16.168
  264    H    LEU  32           H        LEU  32   5.006  12.708  12.708
  265    HA   LEU  32           HA       LEU  32   4.996  10.145  10.145
  266   1HB   LEU  32          2HB       LEU  32   5.053  11.356  11.356
  267   2HB   LEU  32          1HB       LEU  32   6.005   9.871   9.871
  268    HG   LEU  32           HG       LEU  32   3.135  10.152  10.152
  269   1HD1  LEU  32          3HD1      LEU  32   3.641  10.186  10.186
  270   2HD1  LEU  32          2HD1      LEU  32   4.183   8.521   8.521
  271   3HD1  LEU  32          1HD1      LEU  32   2.513   8.954   8.954
  272   1HD2  LEU  32          2HD2      LEU  32   5.195   7.994   7.994
  273   2HD2  LEU  32          1HD2      LEU  32   3.897   8.410   8.410
  274   3HD2  LEU  32          3HD2      LEU  32   3.536   7.506   7.506
  275    H    LYS  33           H        LYS  33   7.652  11.372  11.372
  276    HA   LYS  33           HA       LYS  33   9.643   9.568   9.568
  277   1HB   LYS  33          2HB       LYS  33   9.436  12.256  12.256
  278   2HB   LYS  33          1HB       LYS  33  10.909  12.075  12.075
  279   1HG   LYS  33          2HG       LYS  33  10.013  10.387  10.387
  280   2HG   LYS  33          1HG       LYS  33  11.451  11.399  11.399
  281   1HD   LYS  33          2HD       LYS  33  11.904   9.801   9.801
  282   2HD   LYS  33          1HD       LYS  33  10.953   8.689   8.689
  283   1HE   LYS  33          2HE       LYS  33  13.195   8.313   8.313
  284   2HE   LYS  33          1HE       LYS  33  12.544   9.408   9.408
  285   1HZ   LYS  33          3HZ       LYS  33  13.298  11.165  11.165
  286   2HZ   LYS  33          2HZ       LYS  33  14.445   9.952   9.952
  287   3HZ   LYS  33          1HZ       LYS  33  14.334  10.640  10.640
  288    H    GLU  34           H        GLU  34   9.030  12.717  12.717
  289    HA   GLU  34           HA       GLU  34  10.834  12.536  12.536
  290   1HB   GLU  34          2HB       GLU  34   8.630  14.071  14.071
  291   2HB   GLU  34          1HB       GLU  34   8.106  13.321  13.321
  292   1HG   GLU  34          2HG       GLU  34  10.405  14.049  14.049
  293   2HG   GLU  34          1HG       GLU  34  10.504  15.098  15.098
  294    H    LEU  35           H        LEU  35   7.669  11.028  11.028
  295    HA   LEU  35           HA       LEU  35   7.364   9.820   9.820
  296   1HB   LEU  35          2HB       LEU  35   5.948  10.020  10.020
  297   2HB   LEU  35          1HB       LEU  35   6.527   8.363   8.363
  298    HG   LEU  35           HG       LEU  35   5.522   9.073   9.073
  299   1HD1  LEU  35          3HD1      LEU  35   3.992  10.071  10.071
  300   2HD1  LEU  35          2HD1      LEU  35   3.394   8.412   8.412
  301   3HD1  LEU  35          1HD1      LEU  35   3.311   9.394   9.394
  302   1HD2  LEU  35          3HD2      LEU  35   6.330   6.809   6.809
  303   2HD2  LEU  35          2HD2      LEU  35   4.768   6.807   6.807
  304   3HD2  LEU  35          1HD2      LEU  35   4.836   6.760   6.760
  305    H    ILE  36           H        ILE  36   9.305   8.855   8.855
  306    HA   ILE  36           HA       ILE  36   9.987   6.265   6.265
  307    HB   ILE  36           HB       ILE  36  11.583   7.172   7.172
  308   1HG1  ILE  36          2HG1      ILE  36   9.560   8.363   8.363
  309   2HG1  ILE  36          1HG1      ILE  36   9.685   6.896   6.896
  310   1HG2  ILE  36          2HG2      ILE  36  11.160   4.835   4.835
  311   2HG2  ILE  36          1HG2      ILE  36   9.689   4.864   4.864
  312   3HG2  ILE  36          3HG2      ILE  36  11.262   4.995   4.995
  313   1HD1  ILE  36          1HD1      ILE  36   8.297   6.342   6.342
  314   2HD1  ILE  36          3HD1      ILE  36   7.519   7.672   7.672
  315   3HD1  ILE  36          2HD1      ILE  36   7.744   6.119   6.119
  316    H    ASN  37           H        ASN  37  11.533   9.351   9.351
  317    HA   ASN  37           HA       ASN  37  14.151   8.659   8.659
  318   1HB   ASN  37          2HB       ASN  37  12.870  11.341  11.341
  319   2HB   ASN  37          1HB       ASN  37  14.597  10.994  10.994
  320   1HD2  ASN  37          2HD2      ASN  37  14.309  10.791  10.791
  321   2HD2  ASN  37          1HD2      ASN  37  14.833  11.756  11.756
  322    H    ASN  38           H        ASN  38  11.320  10.250  10.250
  323    HA   ASN  38           HA       ASN  38  12.801  11.033  11.033
  324   1HB   ASN  38          2HB       ASN  38   9.921  11.054  11.054
  325   2HB   ASN  38          1HB       ASN  38  10.374  11.561  11.561
  326   1HD2  ASN  38          2HD2      ASN  38  10.591  14.747  14.747
  327   2HD2  ASN  38          1HD2      ASN  38   9.515  13.749  13.749
  328    H    GLU  39           H        GLU  39  11.125   8.259   8.259
  329    HA   GLU  39           HA       GLU  39  11.024   7.064   7.064
  330   1HB   GLU  39          2HB       GLU  39   9.482   6.285   6.285
  331   2HB   GLU  39          1HB       GLU  39   9.108   5.870   5.870
  332   1HG   GLU  39          2HG       GLU  39   9.075   8.677   8.677
  333   2HG   GLU  39          1HG       GLU  39   7.647   7.684   7.684
  334    H    LEU  40           H        LEU  40  11.384   6.179   6.179
  335    HA   LEU  40           HA       LEU  40  13.036   3.823   3.823
  336   1HB   LEU  40          2HB       LEU  40  11.775   4.911   4.911
  337   2HB   LEU  40          1HB       LEU  40  12.822   3.494   3.494
  338    HG   LEU  40           HG       LEU  40  11.262   2.569   2.569
  339   1HD1  LEU  40          3HD1      LEU  40   9.631   4.865   4.865
  340   2HD1  LEU  40          2HD1      LEU  40   8.908   3.497   3.497
  341   3HD1  LEU  40          1HD1      LEU  40  10.043   4.555   4.555
  342   1HD2  LEU  40          2HD2      LEU  40  10.574   2.938   2.938
  343   2HD2  LEU  40          1HD2      LEU  40  11.158   1.490   1.490
  344   3HD2  LEU  40          3HD2      LEU  40   9.495   2.028   2.028
  345    H    SER  41           H        SER  41  14.694   5.638   5.638
  346    HA   SER  41           HA       SER  41  16.117   7.397   7.397
  347   1HB   SER  41          2HB       SER  41  16.507   6.655   6.655
  348   2HB   SER  41          1HB       SER  41  17.377   5.264   5.264
  349    HG   SER  41           HG       SER  41  18.661   6.892   6.892
  350    H    HIS  42           H        HIS  42  16.085   3.896   3.896
  351    HA   HIS  42           HA       HIS  42  18.376   3.304   3.304
  352   1HB   HIS  42          2HB       HIS  42  15.482   2.519   2.519
  353   2HB   HIS  42          1HB       HIS  42  16.789   1.762   1.762
  354    HD1  HIS  42           HD1      HIS  42  18.533   0.343   0.343
  355    HD2  HIS  42           HD2      HIS  42  15.329   1.750   1.750
  356    HE1  HIS  42           HE1      HIS  42  18.590  -0.931  -0.931
  357    H    PHE  43           H        PHE  43  15.424   4.850   4.850
  358    HA   PHE  43           HA       PHE  43  16.587   5.144   5.144
  359   1HB   PHE  43          2HB       PHE  43  14.156   6.376   6.376
  360   2HB   PHE  43          1HB       PHE  43  14.488   6.408   6.408
  361    HD1  PHE  43           HD2      PHE  43  14.964   4.108   4.108
  362    HD2  PHE  43           HD1      PHE  43  12.998   4.584   4.584
  363    HE1  PHE  43           HE2      PHE  43  14.014   1.823   1.823
  364    HE2  PHE  43           HE1      PHE  43  12.059   2.291   2.291
  365    HZ   PHE  43           HZ       PHE  43  12.566   0.915   0.915
  366    H    LEU  44           H        LEU  44  16.877   6.893   6.893
  367    HA   LEU  44           HA       LEU  44  17.176   9.574   9.574
  368   1HB   LEU  44          2HB       LEU  44  17.524   8.248   8.248
  369   2HB   LEU  44          1HB       LEU  44  19.214   8.248   8.248
  370    HG   LEU  44           HG       LEU  44  18.995  10.756  10.756
  371   1HD1  LEU  44          2HD1      LEU  44  16.271  10.093  10.093
  372   2HD1  LEU  44          1HD1      LEU  44  16.851  11.137  11.137
  373   3HD1  LEU  44          3HD1      LEU  44  16.950  11.676  11.676
  374   1HD2  LEU  44          1HD2      LEU  44  18.988   9.248   9.248
  375   2HD2  LEU  44          3HD2      LEU  44  20.143  10.439  10.439
  376   3HD2  LEU  44          2HD2      LEU  44  18.640  10.970  10.970
  377    H    GLU  45           H        GLU  45  19.220   6.772   6.772
  378    HA   GLU  45           HA       GLU  45  21.330   8.203   8.203
  379   1HB   GLU  45          2HB       GLU  45  20.888   5.684   5.684
  380   2HB   GLU  45          1HB       GLU  45  21.839   5.481   5.481
  381   1HG   GLU  45          2HG       GLU  45  23.504   6.000   6.000
  382   2HG   GLU  45          1HG       GLU  45  23.140   7.589   7.589
  383    H    GLU  46           H        GLU  46  18.665   5.939   5.939
  384    HA   GLU  46           HA       GLU  46  17.501   5.200   5.200
  385   1HB   GLU  46          2HB       GLU  46  18.135   7.785   7.785
  386   2HB   GLU  46          1HB       GLU  46  19.062   7.111   7.111
  387   1HG   GLU  46          2HG       GLU  46  17.183   6.466   6.466
  388   2HG   GLU  46          1HG       GLU  46  16.272   6.124   6.124
  389    H    ILE  47           H        ILE  47  20.788   6.108   6.108
  390    HA   ILE  47           HA       ILE  47  21.263   4.256   4.256
  391    HB   ILE  47           HB       ILE  47  22.703   6.096   6.096
  392   1HG1  ILE  47          2HG1      ILE  47  24.776   5.049   5.049
  393   2HG1  ILE  47          1HG1      ILE  47  24.020   3.458   3.458
  394   1HG2  ILE  47          2HG2      ILE  47  22.626   5.116   5.116
  395   2HG2  ILE  47          1HG2      ILE  47  23.512   3.710   3.710
  396   3HG2  ILE  47          3HG2      ILE  47  24.290   5.296   5.296
  397   1HD1  ILE  47          1HD1      ILE  47  22.419   5.326   5.326
  398   2HD1  ILE  47          3HD1      ILE  47  24.048   5.166   5.166
  399   3HD1  ILE  47          2HD1      ILE  47  23.034   3.738   3.738
  400    H    LYS  48           H        LYS  48  21.416   3.676   3.676
  401    HA   LYS  48           HA       LYS  48  22.591   1.221   1.221
  402   1HB   LYS  48          2HB       LYS  48  20.554   2.788   2.788
  403   2HB   LYS  48          1HB       LYS  48  20.093   1.086   1.086
  404   1HG   LYS  48          2HG       LYS  48  21.466   1.091   1.091
  405   2HG   LYS  48          1HG       LYS  48  22.722   0.878   0.878
  406   1HD   LYS  48          2HD       LYS  48  23.649   2.794   2.794
  407   2HD   LYS  48          1HD       LYS  48  22.249   3.646   3.646
  408   1HE   LYS  48          2HE       LYS  48  21.352   3.990   3.990
  409   2HE   LYS  48          1HE       LYS  48  21.777   2.358   2.358
  410   1HZ   LYS  48          3HZ       LYS  48  23.920   4.292   4.292
  411   2HZ   LYS  48          2HZ       LYS  48  23.071   4.408   4.408
  412   3HZ   LYS  48          1HZ       LYS  48  23.908   2.982   2.982
  413    H    GLU  49           H        GLU  49  19.601   1.868   1.868
  414    HA   GLU  49           HA       GLU  49  19.540  -0.988  -0.988
  415   1HB   GLU  49          2HB       GLU  49  16.984  -0.770  -0.770
  416   2HB   GLU  49          1HB       GLU  49  17.951  -0.946  -0.946
  417   1HG   GLU  49          2HG       GLU  49  17.987   1.613   1.613
  418   2HG   GLU  49          1HG       GLU  49  16.731   1.581   1.581
  419    H    GLN  50           H        GLN  50  20.395  -0.068  -0.068
  420    HA   GLN  50           HA       GLN  50  19.177   2.026   2.026
  421   1HB   GLN  50          2HB       GLN  50  20.583  -0.479  -0.479
  422   2HB   GLN  50          1HB       GLN  50  20.458   1.055   1.055
  423   1HG   GLN  50          2HG       GLN  50  21.615   2.107   2.107
  424   2HG   GLN  50          1HG       GLN  50  22.004   0.456   0.456
  425   1HE2  GLN  50          2HE2      GLN  50  23.911   2.120   2.120
  426   2HE2  GLN  50          1HE2      GLN  50  22.552   2.886   2.886
  427    H    GLU  51           H        GLU  51  18.848  -1.500  -1.500
  428    HA   GLU  51           HA       GLU  51  16.806  -1.464  -1.464
  429   1HB   GLU  51          2HB       GLU  51  17.957  -3.474  -3.474
  430   2HB   GLU  51          1HB       GLU  51  17.179  -3.320  -3.320
  431   1HG   GLU  51          2HG       GLU  51  14.971  -3.280  -3.280
  432   2HG   GLU  51          1HG       GLU  51  16.002  -4.153  -4.153
  433    H    VAL  52           H        VAL  52  16.384  -1.304  -1.304
  434    HA   VAL  52           HA       VAL  52  13.499  -1.196  -1.196
  435    HB   VAL  52           HB       VAL  52  15.355  -0.122  -0.122
  436   1HG1  VAL  52          3HG1      VAL  52  12.474  -0.702  -0.702
  437   2HG1  VAL  52          2HG1      VAL  52  13.227  -1.413  -1.413
  438   3HG1  VAL  52          1HG1      VAL  52  13.323   0.326   0.326
  439   1HG2  VAL  52          2HG2      VAL  52  14.776  -2.899  -2.899
  440   2HG2  VAL  52          1HG2      VAL  52  16.217  -2.253  -2.253
  441   3HG2  VAL  52          3HG2      VAL  52  14.783  -2.627  -2.627
  442    H    VAL  53           H        VAL  53  16.018   1.307   1.307
  443    HA   VAL  53           HA       VAL  53  14.422   3.603   3.603
  444    HB   VAL  53           HB       VAL  53  17.081   2.931   2.931
  445   1HG1  VAL  53          3HG1      VAL  53  15.450   5.358   5.358
  446   2HG1  VAL  53          2HG1      VAL  53  17.106   5.664   5.664
  447   3HG1  VAL  53          1HG1      VAL  53  16.804   4.730   4.730
  448   1HG2  VAL  53          1HG2      VAL  53  16.177   4.584   4.584
  449   2HG2  VAL  53          3HG2      VAL  53  17.025   3.038   3.038
  450   3HG2  VAL  53          2HG2      VAL  53  17.851   4.482   4.482
  451    H    ASP  54           H        ASP  54  15.198   1.524   1.524
  452    HA   ASP  54           HA       ASP  54  14.024   3.222   3.222
  453   1HB   ASP  54          2HB       ASP  54  15.579   1.674   1.674
  454   2HB   ASP  54          1HB       ASP  54  15.027   0.408   0.408
  455    H    LYS  55           H        LYS  55  12.908   0.578   0.578
  456    HA   LYS  55           HA       LYS  55  10.238   0.491   0.491
  457   1HB   LYS  55          2HB       LYS  55  11.251  -0.658  -0.658
  458   2HB   LYS  55          1HB       LYS  55   9.816  -1.172  -1.172
  459   1HG   LYS  55          2HG       LYS  55  12.699  -1.704  -1.704
  460   2HG   LYS  55          1HG       LYS  55  11.319  -2.787  -2.787
  461   1HD   LYS  55          2HD       LYS  55  10.593  -1.105  -1.105
  462   2HD   LYS  55          1HD       LYS  55  12.330  -0.792  -0.792
  463   1HE   LYS  55          2HE       LYS  55  11.131  -3.580  -3.580
  464   2HE   LYS  55          1HE       LYS  55  11.608  -2.648  -2.648
  465   1HZ   LYS  55          1HZ       LYS  55  13.794  -2.305  -2.305
  466   2HZ   LYS  55          3HZ       LYS  55  13.312  -3.585  -3.585
  467   3HZ   LYS  55          2HZ       LYS  55  13.518  -3.845  -3.845
  468    H    VAL  56           H        VAL  56  11.364   1.233   1.233
  469    HA   VAL  56           HA       VAL  56   9.155   2.382   2.382
  470    HB   VAL  56           HB       VAL  56  12.082   3.127   3.127
  471   1HG1  VAL  56          2HG1      VAL  56   9.796   4.519   4.519
  472   2HG1  VAL  56          1HG1      VAL  56  11.311   4.354   4.354
  473   3HG1  VAL  56          3HG1      VAL  56  11.281   5.198   5.198
  474   1HG2  VAL  56          3HG2      VAL  56  10.193   1.531   1.531
  475   2HG2  VAL  56          2HG2      VAL  56  11.823   1.130   1.130
  476   3HG2  VAL  56          1HG2      VAL  56  11.585   2.284   2.284
  477    H    MET  57           H        MET  57  11.259   3.882   3.882
  478    HA   MET  57           HA       MET  57   9.832   6.436   6.436
  479   1HB   MET  57          2HB       MET  57  11.970   5.107   5.107
  480   2HB   MET  57          1HB       MET  57  11.274   6.647   6.647
  481   1HG   MET  57          2HG       MET  57  11.770   7.149   7.149
  482   2HG   MET  57          1HG       MET  57  13.098   6.055   6.055
  483   1HE   MET  57          2HE       MET  57  12.849   8.990   8.990
  484   2HE   MET  57          1HE       MET  57  13.580  10.181  10.181
  485   3HE   MET  57          3HE       MET  57  11.860   9.795   9.795
  486    H    GLU  58           H        GLU  58   9.793   3.478   3.478
  487    HA   GLU  58           HA       GLU  58   8.248   4.316   4.316
  488   1HB   GLU  58          2HB       GLU  58   8.033   2.034   2.034
  489   2HB   GLU  58          1HB       GLU  58   9.339   2.018   2.018
  490   1HG   GLU  58          2HG       GLU  58   7.883   0.435   0.435
  491   2HG   GLU  58          1HG       GLU  58   7.361   1.893   1.893
  492    H    THR  59           H        THR  59   7.233   3.600   3.600
  493    HA   THR  59           HA       THR  59   4.375   3.907   3.907
  494    HB   THR  59           HB       THR  59   5.963   3.335   3.335
  495    HG1  THR  59           HG1      THR  59   5.254   1.833   1.833
  496   1HG2  THR  59          2HG2      THR  59   3.018   3.806   3.806
  497   2HG2  THR  59          1HG2      THR  59   3.596   2.752   2.752
  498   3HG2  THR  59          3HG2      THR  59   4.076   4.449   4.449
  499    H    LEU  60           H        LEU  60   6.681   5.471   5.471
  500    HA   LEU  60           HA       LEU  60   5.214   7.599   7.599
  501   1HB   LEU  60          2HB       LEU  60   7.881   6.841   6.841
  502   2HB   LEU  60          1HB       LEU  60   7.833   8.423   8.423
  503    HG   LEU  60           HG       LEU  60   6.870   7.746   7.746
  504   1HD1  LEU  60          2HD1      LEU  60   9.365   8.099   8.099
  505   2HD1  LEU  60          1HD1      LEU  60   8.942   9.771   9.771
  506   3HD1  LEU  60          3HD1      LEU  60   8.655   9.126   9.126
  507   1HD2  LEU  60          3HD2      LEU  60   5.360   9.353   9.353
  508   2HD2  LEU  60          2HD2      LEU  60   6.256  10.121  10.121
  509   3HD2  LEU  60          1HD2      LEU  60   6.749  10.377  10.377
  510    H    ASP  61           H        ASP  61   6.710   7.362   7.362
  511    HA   ASP  61           HA       ASP  61   6.161  10.006  10.006
  512   1HB   ASP  61          2HB       ASP  61   7.157   7.517   7.517
  513   2HB   ASP  61          1HB       ASP  61   5.907   8.043   8.043
  514    H    SER  62           H        SER  62   4.272   6.995   6.995
  515    HA   SER  62           HA       SER  62   1.949   8.525   8.525
  516   1HB   SER  62          2HB       SER  62   1.432   5.745   5.745
  517   2HB   SER  62          1HB       SER  62   1.572   6.565   6.565
  518    HG   SER  62           HG       SER  62   3.739   6.163   6.163
  519    H    ASP  63           H        ASP  63   2.436   6.071   6.071
  520    HA   ASP  63           HA       ASP  63   1.077   5.663   5.663
  521   1HB   ASP  63          2HB       ASP  63   3.038   7.289   7.289
  522   2HB   ASP  63          1HB       ASP  63   1.823   8.569   8.569
  523    H    GLY  64           H        GLY  64   0.055   8.560   8.560
  524   1HA   GLY  64          2HA       GLY  64  -2.694   8.107   8.107
  525   2HA   GLY  64          1HA       GLY  64  -2.213   9.251   9.251
  526    H    ASP  65           H        ASP  65  -0.060   9.594   9.594
  527    HA   ASP  65           HA       ASP  65   0.289  11.351  11.351
  528   1HB   ASP  65          2HB       ASP  65  -1.094  10.076  10.076
  529   2HB   ASP  65          1HB       ASP  65  -2.524  10.358  10.358
  530    H    GLY  66           H        GLY  66   0.437  12.751  12.751
  531   1HA   GLY  66          2HA       GLY  66   0.027  14.878  14.878
  532   2HA   GLY  66          1HA       GLY  66  -1.167  15.134  15.134
  533    H    GLU  67           H        GLU  67  -1.611  12.242  12.242
  534    HA   GLU  67           HA       GLU  67  -3.432  13.539  13.539
  535   1HB   GLU  67          2HB       GLU  67  -4.678  13.270  13.270
  536   2HB   GLU  67          1HB       GLU  67  -4.322  11.543  11.543
  537   1HG   GLU  67          2HG       GLU  67  -5.893  11.116  11.116
  538   2HG   GLU  67          1HG       GLU  67  -5.507  12.578  12.578
  539    H    CYS  68           H        CYS  68  -1.319  12.315  12.315
  540    HA   CYS  68           HA       CYS  68  -1.811   9.410   9.410
  541   1HB   CYS  68          2HB       CYS  68   0.248  11.236  11.236
  542   2HB   CYS  68          1HB       CYS  68   0.339   9.482   9.482
  543    HG   CYS  68           HG       CYS  68   1.607  11.042  11.042
  544    H    ASP  69           H        ASP  69  -3.865   9.563   9.563
  545    HA   ASP  69           HA       ASP  69  -3.842  11.006  11.006
  546   1HB   ASP  69          2HB       ASP  69  -5.806  11.291  11.291
  547   2HB   ASP  69          1HB       ASP  69  -5.850   9.605   9.605
  548    H    PHE  70           H        PHE  70  -4.844   9.906   9.906
  549    HA   PHE  70           HA       PHE  70  -3.685   8.292   8.292
  550   1HB   PHE  70          2HB       PHE  70  -6.494   8.084   8.084
  551   2HB   PHE  70          1HB       PHE  70  -5.944   6.945   6.945
  552    HD1  PHE  70           HD1      PHE  70  -5.468  10.663  10.663
  553    HD2  PHE  70           HD2      PHE  70  -6.640   7.530   7.530
  554    HE1  PHE  70           HE1      PHE  70  -5.898  12.330  12.330
  555    HE2  PHE  70           HE2      PHE  70  -7.123   9.216   9.216
  556    HZ   PHE  70           HZ       PHE  70  -6.729  11.610  11.610
  557    H    GLN  71           H        GLN  71  -5.522   6.531   6.531
  558    HA   GLN  71           HA       GLN  71  -4.202   4.014   4.014
  559   1HB   GLN  71          2HB       GLN  71  -5.672   3.168   3.168
  560   2HB   GLN  71          1HB       GLN  71  -6.557   4.390   4.390
  561   1HG   GLN  71          2HG       GLN  71  -7.023   5.133   5.133
  562   2HG   GLN  71          1HG       GLN  71  -5.512   5.999   5.999
  563   1HE2  GLN  71          2HE2      GLN  71  -5.124   4.272   4.272
  564   2HE2  GLN  71          1HE2      GLN  71  -6.084   5.528   5.528
  565    H    GLU  72           H        GLU  72  -3.653   6.510   6.510
  566    HA   GLU  72           HA       GLU  72  -2.106   4.918   4.918
  567   1HB   GLU  72          2HB       GLU  72  -1.783   7.875   7.875
  568   2HB   GLU  72          1HB       GLU  72  -1.645   7.022   7.022
  569   1HG   GLU  72          2HG       GLU  72  -4.144   6.310   6.310
  570   2HG   GLU  72          1HG       GLU  72  -4.076   7.848   7.848
  571    H    PHE  73           H        PHE  73  -1.243   6.844   6.844
  572    HA   PHE  73           HA       PHE  73   1.591   6.564   6.564
  573   1HB   PHE  73          2HB       PHE  73   1.290   8.130   8.130
  574   2HB   PHE  73          1HB       PHE  73  -0.348   7.572   7.572
  575    HD1  PHE  73           HD1      PHE  73   3.107   6.163   6.163
  576    HD2  PHE  73           HD2      PHE  73  -0.714   7.043   7.043
  577    HE1  PHE  73           HE1      PHE  73   3.840   5.124   5.124
  578    HE2  PHE  73           HE2      PHE  73   0.022   6.014   6.014
  579    HZ   PHE  73           HZ       PHE  73   2.300   5.055   5.055
  580    H    MET  74           H        MET  74  -0.846   4.669   4.669
  581    HA   MET  74           HA       MET  74   0.974   2.695   2.695
  582   1HB   MET  74          2HB       MET  74  -1.964   2.979   2.979
  583   2HB   MET  74          1HB       MET  74  -1.342   1.395   1.395
  584   1HG   MET  74          2HG       MET  74  -0.474   3.703   3.703
  585   2HG   MET  74          1HG       MET  74  -2.140   3.181   3.181
  586   1HE   MET  74          3HE       MET  74  -2.465   0.371   0.371
  587   2HE   MET  74          2HE       MET  74  -0.952  -0.117  -0.117
  588   3HE   MET  74          1HE       MET  74  -1.374  -0.736  -0.736
  589    H    ALA  75           H        ALA  75  -0.760   3.114   3.114
  590    HA   ALA  75           HA       ALA  75  -0.384   0.515   0.515
  591   1HB   ALA  75          2HB       ALA  75  -1.896   2.465   2.465
  592   2HB   ALA  75          1HB       ALA  75  -0.468   3.192   3.192
  593   3HB   ALA  75          3HB       ALA  75  -1.082   1.648   1.648
  594    H    PHE  76           H        PHE  76   1.474   3.530   3.530
  595    HA   PHE  76           HA       PHE  76   3.544   2.226   2.226
  596   1HB   PHE  76          2HB       PHE  76   2.837   4.477   4.477
  597   2HB   PHE  76          1HB       PHE  76   3.086   4.978   4.978
  598    HD1  PHE  76           HD2      PHE  76   5.016   3.377   3.377
  599    HD2  PHE  76           HD1      PHE  76   5.030   6.125   6.125
  600    HE1  PHE  76           HE2      PHE  76   7.346   4.030   4.030
  601    HE2  PHE  76           HE1      PHE  76   7.356   6.779   6.779
  602    HZ   PHE  76           HZ       PHE  76   8.513   5.734   5.734
  603    H    VAL  77           H        VAL  77   3.329   3.674   3.674
  604    HA   VAL  77           HA       VAL  77   5.996   3.376   3.376
  605    HB   VAL  77           HB       VAL  77   3.889   4.261   4.261
  606   1HG1  VAL  77          3HG1      VAL  77   3.798   1.339   1.339
  607   2HG1  VAL  77          2HG1      VAL  77   2.880   2.623   2.623
  608   3HG1  VAL  77          1HG1      VAL  77   2.561   2.218   2.218
  609   1HG2  VAL  77          1HG2      VAL  77   6.385   3.226   3.226
  610   2HG2  VAL  77          3HG2      VAL  77   5.418   4.532   4.532
  611   3HG2  VAL  77          2HG2      VAL  77   5.150   2.867   2.867
  612    H    ALA  78           H        ALA  78   3.414   0.966   0.966
  613    HA   ALA  78           HA       ALA  78   4.977  -1.251  -1.251
  614   1HB   ALA  78          1HB       ALA  78   2.349  -0.708  -0.708
  615   2HB   ALA  78          3HB       ALA  78   2.805  -1.789  -1.789
  616   3HB   ALA  78          2HB       ALA  78   2.972  -2.318  -2.318
  617    H    MET  79           H        MET  79   4.147  -0.123  -0.123
  618    HA   MET  79           HA       MET  79   5.476  -2.161  -2.161
  619   1HB   MET  79          2HB       MET  79   4.350   0.466   0.466
  620   2HB   MET  79          1HB       MET  79   5.875   0.358   0.358
  621   1HG   MET  79          2HG       MET  79   5.106  -1.751  -1.751
  622   2HG   MET  79          1HG       MET  79   3.561  -1.580  -1.580
  623   1HE   MET  79          3HE       MET  79   1.935  -1.434  -1.434
  624   2HE   MET  79          2HE       MET  79   1.616   0.172   0.172
  625   3HE   MET  79          1HE       MET  79   1.534  -0.098  -0.098
  626    H    ILE  80           H        ILE  80   6.695   0.761   0.761
  627    HA   ILE  80           HA       ILE  80   9.390   0.665   0.665
  628    HB   ILE  80           HB       ILE  80   8.215   1.634   1.634
  629   1HG1  ILE  80          2HG1      ILE  80   7.215   2.464   2.464
  630   2HG1  ILE  80          1HG1      ILE  80   7.808   3.693   3.693
  631   1HG2  ILE  80          3HG2      ILE  80  10.713   1.422   1.422
  632   2HG2  ILE  80          2HG2      ILE  80  10.722   2.535   2.535
  633   3HG2  ILE  80          1HG2      ILE  80  10.146   3.077   3.077
  634   1HD1  ILE  80          3HD1      ILE  80   9.980   2.865   2.865
  635   2HD1  ILE  80          2HD1      ILE  80   8.601   3.248   3.248
  636   3HD1  ILE  80          1HD1      ILE  80   9.225   4.454   4.454
  637    H    THR  81           H        THR  81   8.434   0.009   0.009
  638    HA   THR  81           HA       THR  81  10.622  -1.414  -1.414
  639    HB   THR  81           HB       THR  81   7.793  -2.326  -2.326
  640    HG1  THR  81           HG1      THR  81   7.381  -0.334  -0.334
  641   1HG2  THR  81          1HG2      THR  81  10.182  -3.088  -3.088
  642   2HG2  THR  81          3HG2      THR  81   9.765  -1.754  -1.754
  643   3HG2  THR  81          2HG2      THR  81   8.664  -3.121  -3.121
  644    H    THR  82           H        THR  82   7.914  -2.757  -2.757
  645    HA   THR  82           HA       THR  82   9.022  -5.453  -5.453
  646    HB   THR  82           HB       THR  82   7.180  -5.756  -5.756
  647    HG1  THR  82           HG1      THR  82   5.980  -3.420  -3.420
  648   1HG2  THR  82          3HG2      THR  82   6.829  -5.875  -5.875
  649   2HG2  THR  82          2HG2      THR  82   6.332  -4.181  -4.181
  650   3HG2  THR  82          1HG2      THR  82   5.390  -5.401  -5.401
  651    H    ALA  83           H        ALA  83   8.770  -2.828  -2.828
  652    HA   ALA  83           HA       ALA  83  10.226  -4.147  -4.147
  653   1HB   ALA  83          1HB       ALA  83  10.036  -1.207  -1.207
  654   2HB   ALA  83          3HB       ALA  83  10.531  -1.826  -1.826
  655   3HB   ALA  83          2HB       ALA  83   8.882  -2.083  -2.083
  656    H    CYS  84           H        CYS  84  11.190  -2.810  -2.810
  657    HA   CYS  84           HA       CYS  84  14.026  -2.443  -2.443
  658   1HB   CYS  84          2HB       CYS  84  12.870  -0.941  -0.941
  659   2HB   CYS  84          1HB       CYS  84  12.463  -2.312  -2.312
  660    HG   CYS  84           HG       CYS  84  14.621  -1.551  -1.551
  661    H    HIS  85           H        HIS  85  12.302  -5.148  -5.148
  662    HA   HIS  85           HA       HIS  85  12.716  -7.342  -7.342
  663   1HB   HIS  85          2HB       HIS  85  15.269  -6.060  -6.060
  664   2HB   HIS  85          1HB       HIS  85  15.398  -7.604  -7.604
  665    HD1  HIS  85           HD1      HIS  85  14.009  -9.637  -9.637
  666    HD2  HIS  85           HD2      HIS  85  14.391  -6.262  -6.262
  667    HE1  HIS  85           HE1      HIS  85  13.406 -10.368 -10.368
  668    H    GLU  86           H        GLU  86  12.631  -5.021  -5.021
  669    HA   GLU  86           HA       GLU  86  14.464  -6.017  -6.017
  670   1HB   GLU  86          2HB       GLU  86  14.507  -3.639  -3.639
  671   2HB   GLU  86          1HB       GLU  86  12.754  -3.535  -3.535
  672   1HG   GLU  86          2HG       GLU  86  13.282  -4.564  -4.564
  673   2HG   GLU  86          1HG       GLU  86  14.847  -3.802  -3.802
  674    H    PHE  87           H        PHE  87  11.506  -4.377  -4.377
  675    HA   PHE  87           HA       PHE  87   9.846  -5.041  -5.041
  676   1HB   PHE  87          2HB       PHE  87   9.702  -6.437  -6.437
  677   2HB   PHE  87          1HB       PHE  87   9.255  -7.572  -7.572
  678    HD1  PHE  87           HD1      PHE  87   8.426  -4.383  -4.383
  679    HD2  PHE  87           HD2      PHE  87   7.165  -7.284  -7.284
  680    HE1  PHE  87           HE1      PHE  87   6.176  -3.352  -3.352
  681    HE2  PHE  87           HE2      PHE  87   4.933  -6.231  -6.231
  682    HZ   PHE  87           HZ       PHE  87   4.435  -4.275  -4.275
  683    H    PHE  88           H        PHE  88  10.623  -8.366  -8.366
  684    HA   PHE  88           HA       PHE  88  10.794  -9.131  -9.131
  685   1HB   PHE  88          2HB       PHE  88  11.350 -10.377 -10.377
  686   2HB   PHE  88          1HB       PHE  88  11.512 -11.294 -11.294
  687    HD1  PHE  88           HD2      PHE  88   8.996  -8.587  -8.587
  688    HD2  PHE  88           HD1      PHE  88   9.717 -12.823 -12.823
  689    HE1  PHE  88           HE2      PHE  88   6.562  -8.942  -8.942
  690    HE2  PHE  88           HE1      PHE  88   7.285 -13.224 -13.224
  691    HZ   PHE  88           HZ       PHE  88   5.707 -11.331 -11.331
  692    H    GLU  89           H        GLU  89  12.855 -10.695 -10.695
  693    HA   GLU  89           HA       GLU  89  15.137  -8.944  -8.944
  694   1HB   GLU  89          2HB       GLU  89  14.132 -11.241 -11.241
  695   2HB   GLU  89          1HB       GLU  89  15.548 -11.843 -11.843
  696   1HG   GLU  89          2HG       GLU  89  16.663  -9.665  -9.665
  697   2HG   GLU  89          1HG       GLU  89  15.391  -9.916  -9.916
  698    H    HIS  90           H        HIS  90  14.797 -12.039 -12.039
  699    HA   HIS  90           HA       HIS  90  16.923 -11.049 -11.049
  700   1HB   HIS  90          2HB       HIS  90  17.657 -12.865 -12.865
  701   2HB   HIS  90          1HB       HIS  90  16.275 -13.845 -13.845
  702    HD1  HIS  90           HD1      HIS  90  17.883 -11.838 -11.838
  703    HD2  HIS  90           HD2      HIS  90  18.189 -15.714 -15.714
  704    HE1  HIS  90           HE1      HIS  90  19.190 -13.168 -13.168
  705    H    GLU  91           H        GLU  91  16.031 -10.651 -10.651
  706    HA   GLU  91           HA       GLU  91  13.917 -12.523 -12.523
  707   1HB   GLU  91          2HB       GLU  91  13.478  -9.971  -9.971
  708   2HB   GLU  91          1HB       GLU  91  13.799  -9.683  -9.683
  709   1HG   GLU  91          2HG       GLU  91  12.131 -11.920 -11.920
  710   2HG   GLU  91          1HG       GLU  91  11.458 -10.880 -10.880
  711   1H    MET   0          2H        MET   0   6.800   9.722   9.722
  712   2H    MET   0          1H        MET   0   7.806  10.970  10.970
  713   3H    MET   0          3H        MET   0   6.175  11.286  11.286
  714    HA   MET   0           HA       MET   0   5.411  10.204  10.204
  715   1HB   MET   0          2HB       MET   0   6.631  11.342  11.342
  716   2HB   MET   0          1HB       MET   0   6.862  12.313  12.313
  717   1HG   MET   0          2HG       MET   0   9.031  11.199  11.199
  718   2HG   MET   0          1HG       MET   0   8.802  10.235  10.235
  719   1HE   MET   0          1HE       MET   0  11.187  12.181  12.181
  720   2HE   MET   0          3HE       MET   0  11.289  11.212  11.212
  721   3HE   MET   0          2HE       MET   0  11.643  12.938  12.938
  722    H    SER   1           H        SER   1   8.796   9.332   9.332
  723    HA   SER   1           HA       SER   1   9.425   7.423   7.423
  724   1HB   SER   1          2HB       SER   1  10.137   6.202   6.202
  725   2HB   SER   1          1HB       SER   1  11.067   7.451   7.451
  726    HG   SER   1           HG       SER   1  10.711   8.236   8.236
  727    H    GLU   2           H        GLU   2   6.898   7.137   7.137
  728    HA   GLU   2           HA       GLU   2   6.388   4.419   4.419
  729   1HB   GLU   2          2HB       GLU   2   4.988   6.880   6.880
  730   2HB   GLU   2          1HB       GLU   2   3.948   5.818   5.818
  731   1HG   GLU   2          2HG       GLU   2   3.724   4.277   4.277
  732   2HG   GLU   2          1HG       GLU   2   5.294   4.670   4.670
  733    H    LEU   3           H        LEU   3   6.062   6.510   6.510
  734    HA   LEU   3           HA       LEU   3   4.496   4.946   4.946
  735   1HB   LEU   3          2HB       LEU   3   5.380   7.329   7.329
  736   2HB   LEU   3          1HB       LEU   3   6.931   6.636   6.636
  737    HG   LEU   3           HG       LEU   3   4.393   5.923   5.923
  738   1HD1  LEU   3          3HD1      LEU   3   5.409   8.503   8.503
  739   2HD1  LEU   3          2HD1      LEU   3   6.132   7.889   7.889
  740   3HD1  LEU   3          1HD1      LEU   3   4.378   7.904   7.904
  741   1HD2  LEU   3          2HD2      LEU   3   7.237   5.320   5.320
  742   2HD2  LEU   3          1HD2      LEU   3   5.886   4.571   4.571
  743   3HD2  LEU   3          3HD2      LEU   3   6.639   6.029   6.029
  744    H    GLU   4           H        GLU   4   8.062   5.241   5.241
  745    HA   GLU   4           HA       GLU   4   8.475   2.875   2.875
  746   1HB   GLU   4          2HB       GLU   4  10.234   4.425   4.425
  747   2HB   GLU   4          1HB       GLU   4  10.114   4.669   4.669
  748   1HG   GLU   4          2HG       GLU   4  12.138   3.391   3.391
  749   2HG   GLU   4          1HG       GLU   4  10.997   2.370   2.370
  750    H    LYS   5           H        LYS   5   8.527   3.531   3.531
  751    HA   LYS   5           HA       LYS   5   9.368   0.972   0.972
  752   1HB   LYS   5          2HB       LYS   5   7.405   2.884   2.884
  753   2HB   LYS   5          1HB       LYS   5   8.531   1.792   1.792
  754   1HG   LYS   5          2HG       LYS   5   9.918   3.579   3.579
  755   2HG   LYS   5          1HG       LYS   5   9.018   4.472   4.472
  756   1HD   LYS   5          2HD       LYS   5  10.591   2.126   2.126
  757   2HD   LYS   5          1HD       LYS   5  11.497   3.557   3.557
  758   1HE   LYS   5          2HE       LYS   5  10.866   4.704   4.704
  759   2HE   LYS   5          1HE       LYS   5   9.172   4.210   4.210
  760   1HZ   LYS   5          3HZ       LYS   5  11.306   2.361   2.361
  761   2HZ   LYS   5          2HZ       LYS   5  10.337   3.246   3.246
  762   3HZ   LYS   5          1HZ       LYS   5   9.630   2.103   2.103
  763    H    ALA   6           H        ALA   6   6.441   2.062   2.062
  764    HA   ALA   6           HA       ALA   6   4.737  -0.101  -0.101
  765   1HB   ALA   6          3HB       ALA   6   3.984   2.213   2.213
  766   2HB   ALA   6          2HB       ALA   6   4.369   1.747   1.747
  767   3HB   ALA   6          1HB       ALA   6   3.104   0.895   0.895
  768    H    VAL   7           H        VAL   7   6.404   0.713   0.713
  769    HA   VAL   7           HA       VAL   7   5.668  -1.569  -1.569
  770    HB   VAL   7           HB       VAL   7   7.428   0.661   0.661
  771   1HG1  VAL   7          3HG1      VAL   7   8.833  -1.964  -1.964
  772   2HG1  VAL   7          2HG1      VAL   7   9.396  -0.407  -0.407
  773   3HG1  VAL   7          1HG1      VAL   7   9.330  -0.703  -0.703
  774   1HG2  VAL   7          1HG2      VAL   7   5.749  -0.575  -0.575
  775   2HG2  VAL   7          3HG2      VAL   7   7.029   0.481   0.481
  776   3HG2  VAL   7          2HG2      VAL   7   7.254  -1.268  -1.268
  777    H    VAL   8           H        VAL   8   8.137  -1.104  -1.104
  778    HA   VAL   8           HA       VAL   8   9.344  -3.724  -3.724
  779    HB   VAL   8           HB       VAL   8   9.153  -1.598  -1.598
  780   1HG1  VAL   8          1HG1      VAL   8  10.369  -4.340  -4.340
  781   2HG1  VAL   8          3HG1      VAL   8  11.164  -3.022  -3.022
  782   3HG1  VAL   8          2HG1      VAL   8   9.508  -3.468  -3.468
  783   1HG2  VAL   8          2HG2      VAL   8  10.623  -1.717  -1.717
  784   2HG2  VAL   8          1HG2      VAL   8  11.090  -0.796  -0.796
  785   3HG2  VAL   8          3HG2      VAL   8  11.746  -2.412  -2.412
  786    H    ALA   9           H        ALA   9   6.670  -2.328  -2.328
  787    HA   ALA   9           HA       ALA   9   6.061  -4.550  -4.550
  788   1HB   ALA   9          1HB       ALA   9   4.961  -2.015  -2.015
  789   2HB   ALA   9          3HB       ALA   9   3.678  -3.223  -3.223
  790   3HB   ALA   9          2HB       ALA   9   4.598  -2.943  -2.943
  791    H    LEU  10           H        LEU  10   5.320  -3.836  -3.836
  792    HA   LEU  10           HA       LEU  10   3.378  -5.946  -5.946
  793   1HB   LEU  10          2HB       LEU  10   5.275  -5.217  -5.217
  794   2HB   LEU  10          1HB       LEU  10   3.517  -5.364  -5.364
  795    HG   LEU  10           HG       LEU  10   5.081  -3.039  -3.039
  796   1HD1  LEU  10          2HD1      LEU  10   3.204  -3.330  -3.330
  797   2HD1  LEU  10          1HD1      LEU  10   3.890  -1.805  -1.805
  798   3HD1  LEU  10          3HD1      LEU  10   4.945  -3.065  -3.065
  799   1HD2  LEU  10          2HD2      LEU  10   2.334  -3.993  -3.993
  800   2HD2  LEU  10          1HD2      LEU  10   3.267  -2.805  -2.805
  801   3HD2  LEU  10          3HD2      LEU  10   2.416  -2.322  -2.322
  802    H    ILE  11           H        ILE  11   6.716  -5.697  -5.697
  803    HA   ILE  11           HA       ILE  11   7.264  -8.187  -8.187
  804    HB   ILE  11           HB       ILE  11   9.431  -7.610  -7.610
  805   1HG1  ILE  11          2HG1      ILE  11   8.937  -6.737  -6.737
  806   2HG1  ILE  11          1HG1      ILE  11   9.528  -8.322  -8.322
  807   1HG2  ILE  11          1HG2      ILE  11   8.288  -5.438  -5.438
  808   2HG2  ILE  11          3HG2      ILE  11   8.351  -5.055  -5.055
  809   3HG2  ILE  11          2HG2      ILE  11   9.841  -5.227  -5.227
  810   1HD1  ILE  11          3HD1      ILE  11  10.963  -5.799  -5.799
  811   2HD1  ILE  11          2HD1      ILE  11  11.282  -6.575  -6.575
  812   3HD1  ILE  11          1HD1      ILE  11  11.587  -7.448  -7.448
  813    H    ASP  12           H        ASP  12   6.830  -7.276  -7.276
  814    HA   ASP  12           HA       ASP  12   7.406  -9.929  -9.929
  815   1HB   ASP  12          2HB       ASP  12   6.719  -7.220  -7.220
  816   2HB   ASP  12          1HB       ASP  12   5.765  -8.420  -8.420
  817    H    VAL  13           H        VAL  13   4.478  -7.935  -7.935
  818    HA   VAL  13           HA       VAL  13   2.548  -9.981  -9.981
  819    HB   VAL  13           HB       VAL  13   2.569  -7.422  -7.422
  820   1HG1  VAL  13          2HG1      VAL  13   0.795  -9.131  -9.131
  821   2HG1  VAL  13          1HG1      VAL  13   0.126  -8.931  -8.931
  822   3HG1  VAL  13          3HG1      VAL  13   0.193  -7.555  -7.555
  823   1HG2  VAL  13          3HG2      VAL  13   2.078  -8.167  -8.167
  824   2HG2  VAL  13          2HG2      VAL  13   2.689  -6.657  -6.657
  825   3HG2  VAL  13          1HG2      VAL  13   0.958  -6.993  -6.993
  826    H    PHE  14           H        PHE  14   3.496  -8.581  -8.581
  827    HA   PHE  14           HA       PHE  14   2.287 -10.484 -10.484
  828   1HB   PHE  14          2HB       PHE  14   4.140  -8.398  -8.398
  829   2HB   PHE  14          1HB       PHE  14   4.964  -9.858  -9.858
  830    HD1  PHE  14           HD2      PHE  14   1.454  -8.626  -8.626
  831    HD2  PHE  14           HD1      PHE  14   4.643 -10.553 -10.553
  832    HE1  PHE  14           HE2      PHE  14  -0.023  -8.918  -8.918
  833    HE2  PHE  14           HE1      PHE  14   3.139 -10.861 -10.861
  834    HZ   PHE  14           HZ       PHE  14   0.819 -10.022 -10.022
  835    H    HIS  15           H        HIS  15   5.539 -10.768 -10.768
  836    HA   HIS  15           HA       HIS  15   6.384 -13.212 -13.212
  837   1HB   HIS  15          2HB       HIS  15   7.699 -11.976 -11.976
  838   2HB   HIS  15          1HB       HIS  15   6.439 -12.131 -12.131
  839    HD1  HIS  15           HD1      HIS  15   9.349 -13.886 -13.886
  840    HD2  HIS  15           HD2      HIS  15   6.147 -14.848 -14.848
  841    HE1  HIS  15           HE1      HIS  15   9.915 -16.110 -16.110
  842    H    GLN  16           H        GLN  16   3.953 -12.611 -12.611
  843    HA   GLN  16           HA       GLN  16   3.360 -15.432 -15.432
  844   1HB   GLN  16          2HB       GLN  16   1.847 -12.859 -12.859
  845   2HB   GLN  16          1HB       GLN  16   1.491 -14.438 -14.438
  846   1HG   GLN  16          2HG       GLN  16   4.248 -14.044 -14.044
  847   2HG   GLN  16          1HG       GLN  16   3.490 -12.499 -12.499
  848   1HE2  GLN  16          2HE2      GLN  16   1.792 -13.739 -13.739
  849   2HE2  GLN  16          1HE2      GLN  16   1.901 -12.461 -12.461
  850    H    TYR  17           H        TYR  17   1.163 -12.876 -12.876
  851    HA   TYR  17           HA       TYR  17  -0.855 -14.284 -14.284
  852   1HB   TYR  17          2HB       TYR  17   0.658 -11.804 -11.804
  853   2HB   TYR  17          1HB       TYR  17  -0.642 -12.368 -12.368
  854    HD1  TYR  17           HD1      TYR  17   0.201 -11.106 -11.106
  855    HD2  TYR  17           HD2      TYR  17  -2.958 -12.296 -12.296
  856    HE1  TYR  17           HE1      TYR  17  -1.468 -10.075 -10.075
  857    HE2  TYR  17           HE2      TYR  17  -4.630 -11.287 -11.287
  858    HH   TYR  17           HH       TYR  17  -4.706 -10.734 -10.734
  859    H    SER  18           H        SER  18   1.822 -13.137 -13.137
  860    HA   SER  18           HA       SER  18   1.273 -15.175 -15.175
  861   1HB   SER  18          2HB       SER  18   3.759 -13.682 -13.682
  862   2HB   SER  18          1HB       SER  18   2.317 -13.604 -13.604
  863    HG   SER  18           HG       SER  18   1.394 -12.250 -12.250
  864    H    GLY  19           H        GLY  19   2.542 -15.787 -15.787
  865   1HA   GLY  19          2HA       GLY  19   4.334 -17.863 -17.863
  866   2HA   GLY  19          1HA       GLY  19   5.141 -16.635 -16.635
  867    H    ARG  20           H        ARG  20   1.839 -17.715 -17.715
  868    HA   ARG  20           HA       ARG  20   2.825 -18.920 -18.920
  869   1HB   ARG  20          2HB       ARG  20   0.637 -18.219 -18.219
  870   2HB   ARG  20          1HB       ARG  20   1.464 -16.838 -16.838
  871   1HG   ARG  20          2HG       ARG  20   0.159 -17.115 -17.115
  872   2HG   ARG  20          1HG       ARG  20  -0.636 -18.537 -18.537
  873   1HD   ARG  20          2HD       ARG  20  -0.798 -16.171 -16.171
  874   2HD   ARG  20          1HD       ARG  20  -1.627 -15.972 -15.972
  875    HE   ARG  20           HE       ARG  20  -2.733 -18.217 -18.217
  876   1HH1  ARG  20          2HH1      ARG  20  -0.951 -18.303 -18.303
  877   2HH1  ARG  20          1HH1      ARG  20  -2.169 -18.004 -18.004
  878   1HH2  ARG  20          1HH2      ARG  20  -4.533 -16.925 -16.925
  879   2HH2  ARG  20          2HH2      ARG  20  -4.196 -17.226 -17.226
  880    H    GLU  21           H        GLU  21   1.567 -19.705 -19.705
  881    HA   GLU  21           HA       GLU  21   0.378 -22.237 -22.237
  882   1HB   GLU  21          2HB       GLU  21  -1.124 -21.977 -21.977
  883   2HB   GLU  21          1HB       GLU  21  -1.474 -20.961 -20.961
  884   1HG   GLU  21          2HG       GLU  21  -0.765 -19.045 -19.045
  885   2HG   GLU  21          1HG       GLU  21   0.494 -19.882 -19.882
  886    H    GLY  22           H        GLY  22   0.333 -21.805 -21.805
  887   1HA   GLY  22          2HA       GLY  22   2.803 -23.474 -23.474
  888   2HA   GLY  22          1HA       GLY  22   1.376 -23.738 -23.738
  889    H    ASP  23           H        ASP  23   1.159 -20.616 -20.616
  890    HA   ASP  23           HA       ASP  23   2.398 -20.204 -20.204
  891   1HB   ASP  23          2HB       ASP  23   1.080 -18.510 -18.510
  892   2HB   ASP  23          1HB       ASP  23   1.804 -17.751 -17.751
  893    H    LYS  24           H        LYS  24   4.160 -18.669 -18.669
  894    HA   LYS  24           HA       LYS  24   6.292 -18.806 -18.806
  895   1HB   LYS  24          2HB       LYS  24   6.532 -19.490 -19.490
  896   2HB   LYS  24          1HB       LYS  24   6.385 -17.780 -17.780
  897   1HG   LYS  24          2HG       LYS  24   8.632 -17.705 -17.705
  898   2HG   LYS  24          1HG       LYS  24   8.282 -17.742 -17.742
  899   1HD   LYS  24          2HD       LYS  24   8.634 -20.080 -20.080
  900   2HD   LYS  24          1HD       LYS  24   8.519 -20.284 -20.284
  901   1HE   LYS  24          2HE       LYS  24  10.673 -19.443 -19.443
  902   2HE   LYS  24          1HE       LYS  24  10.690 -18.540 -18.540
  903   1HZ   LYS  24          1HZ       LYS  24  10.435 -20.820 -20.820
  904   2HZ   LYS  24          3HZ       LYS  24  10.924 -21.459 -21.459
  905   3HZ   LYS  24          2HZ       LYS  24  11.963 -20.426 -20.426
  906    H    HIS  25           H        HIS  25   5.374 -16.263 -16.263
  907    HA   HIS  25           HA       HIS  25   5.371 -14.286 -14.286
  908   1HB   HIS  25          2HB       HIS  25   7.090 -14.461 -14.461
  909   2HB   HIS  25          1HB       HIS  25   6.649 -12.864 -12.864
  910    HD1  HIS  25           HD1      HIS  25   9.495 -14.619 -14.619
  911    HD2  HIS  25           HD2      HIS  25   6.890 -13.501 -13.501
  912    HE1  HIS  25           HE1      HIS  25  10.842 -14.670 -14.670
  913    H    LYS  26           H        LYS  26   3.007 -15.098 -15.098
  914    HA   LYS  26           HA       LYS  26   1.999 -12.817 -12.817
  915   1HB   LYS  26          2HB       LYS  26   2.762 -14.755 -14.755
  916   2HB   LYS  26          1HB       LYS  26   1.455 -15.686 -15.686
  917   1HG   LYS  26          2HG       LYS  26  -0.183 -14.040 -14.040
  918   2HG   LYS  26          1HG       LYS  26   1.117 -13.070 -13.070
  919   1HD   LYS  26          2HD       LYS  26   0.834 -14.306 -14.306
  920   2HD   LYS  26          1HD       LYS  26   1.619 -15.603 -15.603
  921   1HE   LYS  26          2HE       LYS  26  -1.160 -15.465 -15.465
  922   2HE   LYS  26          1HE       LYS  26  -1.038 -15.607 -15.607
  923   1HZ   LYS  26          1HZ       LYS  26   0.608 -17.385 -17.385
  924   2HZ   LYS  26          3HZ       LYS  26   0.353 -17.305 -17.305
  925   3HZ   LYS  26          2HZ       LYS  26  -0.909 -17.792 -17.792
  926    H    LEU  27           H        LEU  27  -0.485 -12.929 -12.929
  927    HA   LEU  27           HA       LEU  27  -1.550 -14.431 -14.431
  928   1HB   LEU  27          2HB       LEU  27  -1.848 -11.539 -11.539
  929   2HB   LEU  27          1HB       LEU  27  -3.100 -12.326 -12.326
  930    HG   LEU  27           HG       LEU  27  -0.177 -12.199 -12.199
  931   1HD1  LEU  27          1HD1      LEU  27  -1.447 -10.024 -10.024
  932   2HD1  LEU  27          3HD1      LEU  27  -2.544 -10.797 -10.797
  933   3HD1  LEU  27          2HD1      LEU  27  -0.842 -10.590 -10.590
  934   1HD2  LEU  27          1HD2      LEU  27  -2.126 -14.029 -14.029
  935   2HD2  LEU  27          3HD2      LEU  27  -0.638 -13.676 -13.676
  936   3HD2  LEU  27          2HD2      LEU  27  -2.131 -12.840 -12.840
  937    H    LYS  28           H        LYS  28  -3.718 -15.124 -15.124
  938    HA   LYS  28           HA       LYS  28  -4.679 -15.224 -15.224
  939   1HB   LYS  28          2HB       LYS  28  -4.576 -16.968 -16.968
  940   2HB   LYS  28          1HB       LYS  28  -6.199 -16.896 -16.896
  941   1HG   LYS  28          2HG       LYS  28  -5.585 -18.074 -18.074
  942   2HG   LYS  28          1HG       LYS  28  -4.113 -17.125 -17.125
  943   1HD   LYS  28          2HD       LYS  28  -2.888 -18.802 -18.802
  944   2HD   LYS  28          1HD       LYS  28  -3.822 -18.729 -18.729
  945   1HE   LYS  28          2HE       LYS  28  -5.310 -20.403 -20.403
  946   2HE   LYS  28          1HE       LYS  28  -4.975 -20.125 -20.125
  947   1HZ   LYS  28          1HZ       LYS  28  -2.668 -20.853 -20.853
  948   2HZ   LYS  28          3HZ       LYS  28  -3.102 -21.257 -21.257
  949   3HZ   LYS  28          2HZ       LYS  28  -3.804 -22.086 -22.086
  950    H    LYS  29           H        LYS  29  -7.003 -14.785 -14.785
  951    HA   LYS  29           HA       LYS  29  -8.095 -12.489 -12.489
  952   1HB   LYS  29          2HB       LYS  29  -9.395 -15.043 -15.043
  953   2HB   LYS  29          1HB       LYS  29 -10.314 -13.575 -13.575
  954   1HG   LYS  29          2HG       LYS  29  -9.530 -12.503 -12.503
  955   2HG   LYS  29          1HG       LYS  29  -7.910 -13.178 -13.178
  956   1HD   LYS  29          2HD       LYS  29  -8.465 -15.150 -15.150
  957   2HD   LYS  29          1HD       LYS  29 -10.191 -14.957 -14.957
  958   1HE   LYS  29          2HE       LYS  29  -8.915 -12.790 -12.790
  959   2HE   LYS  29          1HE       LYS  29  -9.083 -14.363 -14.363
  960   1HZ   LYS  29          2HZ       LYS  29 -11.410 -14.407 -14.407
  961   2HZ   LYS  29          1HZ       LYS  29 -11.217 -12.792 -12.792
  962   3HZ   LYS  29          3HZ       LYS  29 -11.119 -13.193 -13.193
  963    H    SER  30           H        SER  30  -7.920 -15.695 -15.695
  964    HA   SER  30           HA       SER  30  -9.843 -15.239 -15.239
  965   1HB   SER  30          2HB       SER  30  -7.615 -17.243 -17.243
  966   2HB   SER  30          1HB       SER  30  -8.770 -17.355 -17.355
  967    HG   SER  30           HG       SER  30  -9.116 -18.369 -18.369
  968    H    GLU  31           H        GLU  31  -6.234 -15.467 -15.467
  969    HA   GLU  31           HA       GLU  31  -5.823 -14.696 -14.696
  970   1HB   GLU  31          2HB       GLU  31  -4.059 -14.018 -14.018
  971   2HB   GLU  31          1HB       GLU  31  -3.554 -14.238 -14.238
  972   1HG   GLU  31          2HG       GLU  31  -5.067 -16.528 -16.528
  973   2HG   GLU  31          1HG       GLU  31  -3.610 -16.229 -16.229
  974    H    LEU  32           H        LEU  32  -6.519 -12.820 -12.820
  975    HA   LEU  32           HA       LEU  32  -5.847 -10.207 -10.207
  976   1HB   LEU  32          2HB       LEU  32  -7.371 -11.522 -11.522
  977   2HB   LEU  32          1HB       LEU  32  -8.159 -10.029 -10.029
  978    HG   LEU  32           HG       LEU  32  -5.255 -10.299 -10.299
  979   1HD1  LEU  32          3HD1      LEU  32  -7.088 -10.432 -10.432
  980   2HD1  LEU  32          2HD1      LEU  32  -7.456  -8.757  -8.757
  981   3HD1  LEU  32          1HD1      LEU  32  -5.864  -9.180  -9.180
  982   1HD2  LEU  32          2HD2      LEU  32  -6.874  -8.114  -8.114
  983   2HD2  LEU  32          1HD2      LEU  32  -5.166  -8.497  -8.497
  984   3HD2  LEU  32          3HD2      LEU  32  -5.712  -7.659  -7.659
  985    H    LYS  33           H        LYS  33  -9.205 -11.487 -11.487
  986    HA   LYS  33           HA       LYS  33 -10.467  -9.639  -9.639
  987   1HB   LYS  33          2HB       LYS  33 -10.879 -12.371 -12.371
  988   2HB   LYS  33          1HB       LYS  33 -11.560 -12.137 -12.137
  989   1HG   LYS  33          2HG       LYS  33 -12.171 -10.549 -10.549
  990   2HG   LYS  33          1HG       LYS  33 -13.283 -11.542 -11.542
  991   1HD   LYS  33          2HD       LYS  33 -12.483  -9.858  -9.858
  992   2HD   LYS  33          1HD       LYS  33 -12.271  -8.795  -8.795
  993   1HE   LYS  33          2HE       LYS  33 -14.528  -8.427  -8.427
  994   2HE   LYS  33          1HE       LYS  33 -14.668  -9.581  -9.581
  995   1HZ   LYS  33          3HZ       LYS  33 -14.236 -11.252 -11.252
  996   2HZ   LYS  33          2HZ       LYS  33 -15.024 -10.016 -10.016
  997   3HZ   LYS  33          1HZ       LYS  33 -15.795 -10.767 -10.767
  998    H    GLU  34           H        GLU  34  -8.992 -12.727 -12.727
  999    HA   GLU  34           HA       GLU  34  -9.284 -12.443 -12.443
 1000   1HB   GLU  34          2HB       GLU  34  -7.854 -14.027 -14.027
 1001   2HB   GLU  34          1HB       GLU  34  -6.577 -13.222 -13.222
 1002   1HG   GLU  34          2HG       GLU  34  -7.941 -13.888 -13.888
 1003   2HG   GLU  34          1HG       GLU  34  -8.804 -14.993 -14.993
 1004    H    LEU  35           H        LEU  35  -6.923 -10.978 -10.978
 1005    HA   LEU  35           HA       LEU  35  -5.264  -9.671  -9.671
 1006   1HB   LEU  35          2HB       LEU  35  -5.379  -9.979  -9.979
 1007   2HB   LEU  35          1HB       LEU  35  -5.976  -8.323  -8.323
 1008    HG   LEU  35           HG       LEU  35  -3.621  -8.942  -8.942
 1009   1HD1  LEU  35          3HD1      LEU  35  -3.474 -10.033 -10.033
 1010   2HD1  LEU  35          2HD1      LEU  35  -2.992  -8.383  -8.383
 1011   3HD1  LEU  35          1HD1      LEU  35  -2.081  -9.308  -9.308
 1012   1HD2  LEU  35          3HD2      LEU  35  -4.814  -6.705  -6.705
 1013   2HD2  LEU  35          2HD2      LEU  35  -3.062  -6.691  -6.691
 1014   3HD2  LEU  35          1HD2      LEU  35  -4.112  -6.707  -6.707
 1015    H    ILE  36           H        ILE  36  -8.449  -8.805  -8.805
 1016    HA   ILE  36           HA       ILE  36  -8.347  -6.156  -6.156
 1017    HB   ILE  36           HB       ILE  36 -10.951  -7.144  -7.144
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.631  -8.387  -8.387
 1019   2HG1  ILE  36          1HG1      ILE  36 -10.306  -6.968  -6.968
 1020   1HG2  ILE  36          2HG2      ILE  36 -10.049  -4.771  -4.771
 1021   2HG2  ILE  36          1HG2      ILE  36  -9.378  -4.859  -4.859
 1022   3HG2  ILE  36          3HG2      ILE  36 -11.118  -5.004  -5.004
 1023   1HD1  ILE  36          1HD1      ILE  36  -7.772  -6.320  -6.320
 1024   2HD1  ILE  36          3HD1      ILE  36  -7.596  -7.690  -7.690
 1025   3HD1  ILE  36          2HD1      ILE  36  -8.262  -6.169  -6.169
 1026    H    ASN  37           H        ASN  37 -10.028  -9.260  -9.260
 1027    HA   ASN  37           HA       ASN  37 -11.623  -8.496  -8.496
 1028   1HB   ASN  37          2HB       ASN  37 -10.793 -11.211 -11.211
 1029   2HB   ASN  37          1HB       ASN  37 -12.190 -10.838 -10.838
 1030   1HD2  ASN  37          2HD2      ASN  37 -13.952 -10.785 -10.785
 1031   2HD2  ASN  37          1HD2      ASN  37 -13.644 -11.690 -11.690
 1032    H    ASN  38           H        ASN  38  -8.442 -10.055 -10.055
 1033    HA   ASN  38           HA       ASN  38  -8.294 -10.729 -10.729
 1034   1HB   ASN  38          2HB       ASN  38  -6.434 -10.821 -10.821
 1035   2HB   ASN  38          1HB       ASN  38  -5.884 -11.256 -11.256
 1036   1HD2  ASN  38          2HD2      ASN  38  -6.968 -14.502 -14.502
 1037   2HD2  ASN  38          1HD2      ASN  38  -5.612 -13.482 -13.482
 1038    H    GLU  39           H        GLU  39  -7.589  -8.018  -8.018
 1039    HA   GLU  39           HA       GLU  39  -5.965  -6.712  -6.712
 1040   1HB   GLU  39          2HB       GLU  39  -6.108  -6.048  -6.048
 1041   2HB   GLU  39          1HB       GLU  39  -4.866  -5.569  -5.569
 1042   1HG   GLU  39          2HG       GLU  39  -5.433  -8.420  -8.420
 1043   2HG   GLU  39          1HG       GLU  39  -4.107  -7.428  -7.428
 1044    H    LEU  40           H        LEU  40  -8.219  -5.967  -5.967
 1045    HA   LEU  40           HA       LEU  40  -9.209  -3.571  -3.571
 1046   1HB   LEU  40          2HB       LEU  40  -9.578  -4.768  -4.768
 1047   2HB   LEU  40          1HB       LEU  40 -10.466  -3.344  -3.344
 1048    HG   LEU  40           HG       LEU  40  -8.159  -2.355  -2.355
 1049   1HD1  LEU  40          3HD1      LEU  40  -7.393  -4.723  -4.723
 1050   2HD1  LEU  40          2HD1      LEU  40  -6.344  -3.322  -3.322
 1051   3HD1  LEU  40          1HD1      LEU  40  -6.787  -4.319  -4.319
 1052   1HD2  LEU  40          2HD2      LEU  40  -9.216  -2.865  -2.865
 1053   2HD2  LEU  40          1HD2      LEU  40  -9.263  -1.377  -1.377
 1054   3HD2  LEU  40          3HD2      LEU  40  -7.744  -1.919  -1.919
 1055    H    SER  41           H        SER  41 -10.119  -5.334  -5.334
 1056    HA   SER  41           HA       SER  41 -12.137  -7.147  -7.147
 1057   1HB   SER  41          2HB       SER  41 -11.125  -6.319  -6.319
 1058   2HB   SER  41          1HB       SER  41 -12.219  -4.941  -4.941
 1059    HG   SER  41           HG       SER  41 -13.929  -6.576  -6.576
 1060    H    HIS  42           H        HIS  42 -12.365  -3.664  -3.664
 1061    HA   HIS  42           HA       HIS  42 -15.074  -3.109  -3.109
 1062   1HB   HIS  42          2HB       HIS  42 -12.922  -2.368  -2.368
 1063   2HB   HIS  42          1HB       HIS  42 -14.526  -1.635  -1.635
 1064    HD1  HIS  42           HD1      HIS  42 -15.218  -0.147  -0.147
 1065    HD2  HIS  42           HD2      HIS  42 -11.272  -1.488  -1.488
 1066    HE1  HIS  42           HE1      HIS  42 -14.046   1.221   1.221
 1067    H    PHE  43           H        PHE  43 -13.352  -4.728  -4.728
 1068    HA   PHE  43           HA       PHE  43 -15.803  -5.119  -5.119
 1069   1HB   PHE  43          2HB       PHE  43 -13.021  -6.315  -6.315
 1070   2HB   PHE  43          1HB       PHE  43 -14.271  -6.418  -6.418
 1071    HD1  PHE  43           HD2      PHE  43 -15.349  -4.165  -4.165
 1072    HD2  PHE  43           HD1      PHE  43 -11.583  -4.490  -4.490
 1073    HE1  PHE  43           HE2      PHE  43 -14.725  -1.898  -1.898
 1074    HE2  PHE  43           HE1      PHE  43 -10.961  -2.214  -2.214
 1075    HZ   PHE  43           HZ       PHE  43 -12.535  -0.921  -0.921
 1076    H    LEU  44           H        LEU  44 -14.355  -6.742  -6.742
 1077    HA   LEU  44           HA       LEU  44 -15.026  -9.451  -9.451
 1078   1HB   LEU  44          2HB       LEU  44 -14.043  -8.031  -8.031
 1079   2HB   LEU  44          1HB       LEU  44 -15.722  -8.027  -8.027
 1080    HG   LEU  44           HG       LEU  44 -15.701 -10.551 -10.551
 1081   1HD1  LEU  44          2HD1      LEU  44 -13.149  -9.895  -9.895
 1082   2HD1  LEU  44          1HD1      LEU  44 -12.880 -10.883 -10.883
 1083   3HD1  LEU  44          3HD1      LEU  44 -13.901 -11.485 -11.485
 1084   1HD2  LEU  44          1HD2      LEU  44 -14.280  -8.939  -8.939
 1085   2HD2  LEU  44          3HD2      LEU  44 -15.552 -10.145 -10.145
 1086   3HD2  LEU  44          2HD2      LEU  44 -13.877 -10.656 -10.656
 1087    H    GLU  45           H        GLU  45 -16.936  -6.640  -6.640
 1088    HA   GLU  45           HA       GLU  45 -19.509  -8.108  -8.108
 1089   1HB   GLU  45          2HB       GLU  45 -18.355  -5.532  -5.532
 1090   2HB   GLU  45          1HB       GLU  45 -19.976  -5.386  -5.386
 1091   1HG   GLU  45          2HG       GLU  45 -20.458  -5.826  -5.826
 1092   2HG   GLU  45          1HG       GLU  45 -20.515  -7.444  -7.444
 1093    H    GLU  46           H        GLU  46 -17.566  -5.889  -5.889
 1094    HA   GLU  46           HA       GLU  46 -17.690  -5.237  -5.237
 1095   1HB   GLU  46          2HB       GLU  46 -18.359  -7.827  -7.827
 1096   2HB   GLU  46          1HB       GLU  46 -19.893  -7.203  -7.203
 1097   1HG   GLU  46          2HG       GLU  46 -19.013  -6.630  -6.630
 1098   2HG   GLU  46          1HG       GLU  46 -17.433  -6.233  -6.233
 1099    H    ILE  47           H        ILE  47 -21.031  -6.158  -6.158
 1100    HA   ILE  47           HA       ILE  47 -22.562  -4.382  -4.382
 1101    HB   ILE  47           HB       ILE  47 -23.115  -6.164  -6.164
 1102   1HG1  ILE  47          2HG1      ILE  47 -25.277  -5.124  -5.124
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.629  -3.539  -3.539
 1104   1HG2  ILE  47          2HG2      ILE  47 -21.784  -5.101  -5.101
 1105   2HG2  ILE  47          1HG2      ILE  47 -22.857  -3.705  -3.705
 1106   3HG2  ILE  47          3HG2      ILE  47 -23.475  -5.276  -5.276
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.161  -5.486  -5.486
 1108   2HD1  ILE  47          3HD1      ILE  47 -25.879  -5.335  -5.335
 1109   3HD1  ILE  47          2HD1      ILE  47 -24.947  -3.909  -3.909
 1110    H    LYS  48           H        LYS  48 -20.724  -3.661  -3.661
 1111    HA   LYS  48           HA       LYS  48 -21.554  -1.182  -1.182
 1112   1HB   LYS  48          2HB       LYS  48 -19.128  -2.720  -2.720
 1113   2HB   LYS  48          1HB       LYS  48 -18.724  -1.023  -1.023
 1114   1HG   LYS  48          2HG       LYS  48 -18.820  -0.939  -0.939
 1115   2HG   LYS  48          1HG       LYS  48 -20.548  -0.758  -0.758
 1116   1HD   LYS  48          2HD       LYS  48 -20.873  -2.632  -2.632
 1117   2HD   LYS  48          1HD       LYS  48 -20.078  -3.526  -3.526
 1118   1HE   LYS  48          2HE       LYS  48 -18.161  -3.799  -3.799
 1119   2HE   LYS  48          1HE       LYS  48 -18.224  -2.143  -2.143
 1120   1HZ   LYS  48          3HZ       LYS  48 -20.277  -4.078  -4.078
 1121   2HZ   LYS  48          2HZ       LYS  48 -18.747  -4.147  -4.147
 1122   3HZ   LYS  48          1HZ       LYS  48 -19.677  -2.730  -2.730
 1123    H    GLU  49           H        GLU  49 -20.039  -1.933  -1.933
 1124    HA   GLU  49           HA       GLU  49 -20.527   0.884   0.884
 1125   1HB   GLU  49          2HB       GLU  49 -18.242   0.647   0.647
 1126   2HB   GLU  49          1HB       GLU  49 -18.218   0.900   0.900
 1127   1HG   GLU  49          2HG       GLU  49 -18.150  -1.649  -1.649
 1128   2HG   GLU  49          1HG       GLU  49 -17.816  -1.692  -1.692
 1129    H    GLN  50           H        GLN  50 -22.359  -0.102  -0.102
 1130    HA   GLN  50           HA       GLN  50 -22.171  -2.268  -2.268
 1131   1HB   GLN  50          2HB       GLN  50 -23.918   0.213   0.213
 1132   2HB   GLN  50          1HB       GLN  50 -24.284  -1.354  -1.354
 1133   1HG   GLN  50          2HG       GLN  50 -24.062  -2.315  -2.315
 1134   2HG   GLN  50          1HG       GLN  50 -24.135  -0.643  -0.643
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.505  -2.418  -2.418
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.996  -3.167  -3.167
 1137    H    GLU  51           H        GLU  51 -22.304   1.226   1.226
 1138    HA   GLU  51           HA       GLU  51 -21.679   1.094   1.094
 1139   1HB   GLU  51          2HB       GLU  51 -22.215   3.148   3.148
 1140   2HB   GLU  51          1HB       GLU  51 -20.682   3.051   3.051
 1141   1HG   GLU  51          2HG       GLU  51 -19.692   2.925   2.925
 1142   2HG   GLU  51          1HG       GLU  51 -21.194   3.764   3.764
 1143    H    VAL  52           H        VAL  52 -19.326   1.068   1.068
 1144    HA   VAL  52           HA       VAL  52 -17.008   0.926   0.926
 1145    HB   VAL  52           HB       VAL  52 -17.313  -0.034  -0.034
 1146   1HG1  VAL  52          3HG1      VAL  52 -15.077   0.516   0.516
 1147   2HG1  VAL  52          2HG1      VAL  52 -14.905   1.273   1.273
 1148   3HG1  VAL  52          1HG1      VAL  52 -15.112  -0.473  -0.473
 1149   1HG2  VAL  52          2HG2      VAL  52 -17.389   2.695   2.695
 1150   2HG2  VAL  52          1HG2      VAL  52 -18.123   2.100   2.100
 1151   3HG2  VAL  52          3HG2      VAL  52 -16.405   2.494   2.494
 1152    H    VAL  53           H        VAL  53 -18.804  -1.530  -1.530
 1153    HA   VAL  53           HA       VAL  53 -17.369  -3.837  -3.837
 1154    HB   VAL  53           HB       VAL  53 -20.288  -3.189  -3.189
 1155   1HG1  VAL  53          3HG1      VAL  53 -19.148  -5.645  -5.645
 1156   2HG1  VAL  53          2HG1      VAL  53 -20.211  -5.918  -5.918
 1157   3HG1  VAL  53          1HG1      VAL  53 -20.806  -5.045  -5.045
 1158   1HG2  VAL  53          1HG2      VAL  53 -18.178  -4.755  -4.755
 1159   2HG2  VAL  53          3HG2      VAL  53 -18.874  -3.199  -3.199
 1160   3HG2  VAL  53          2HG2      VAL  53 -19.868  -4.655  -4.655
 1161    H    ASP  54           H        ASP  54 -19.569  -1.855  -1.855
 1162    HA   ASP  54           HA       ASP  54 -19.737  -3.643  -3.643
 1163   1HB   ASP  54          2HB       ASP  54 -21.489  -2.109  -2.109
 1164   2HB   ASP  54          1HB       ASP  54 -20.430  -0.809  -0.809
 1165    H    LYS  55           H        LYS  55 -17.668  -0.932  -0.932
 1166    HA   LYS  55           HA       LYS  55 -16.171  -0.927  -0.927
 1167   1HB   LYS  55          2HB       LYS  55 -15.532   0.342   0.342
 1168   2HB   LYS  55          1HB       LYS  55 -14.866   0.804   0.804
 1169   1HG   LYS  55          2HG       LYS  55 -17.581   1.334   1.334
 1170   2HG   LYS  55          1HG       LYS  55 -16.524   2.403   2.403
 1171   1HD   LYS  55          2HD       LYS  55 -16.990   0.639   0.639
 1172   2HD   LYS  55          1HD       LYS  55 -18.450   0.342   0.342
 1173   1HE   LYS  55          2HE       LYS  55 -17.560   3.113   3.113
 1174   2HE   LYS  55          1HE       LYS  55 -18.751   2.131   2.131
 1175   1HZ   LYS  55          1HZ       LYS  55 -19.863   1.857   1.857
 1176   2HZ   LYS  55          3HZ       LYS  55 -18.914   3.166   3.166
 1177   3HZ   LYS  55          2HZ       LYS  55 -20.024   3.369   3.369
 1178    H    VAL  56           H        VAL  56 -15.219  -1.522  -1.522
 1179    HA   VAL  56           HA       VAL  56 -12.730  -2.645  -2.645
 1180    HB   VAL  56           HB       VAL  56 -15.140  -3.360  -3.360
 1181   1HG1  VAL  56          2HG1      VAL  56 -12.475  -4.718  -4.718
 1182   2HG1  VAL  56          1HG1      VAL  56 -13.233  -4.500  -4.500
 1183   3HG1  VAL  56          3HG1      VAL  56 -14.063  -5.410  -5.410
 1184   1HG2  VAL  56          3HG2      VAL  56 -12.653  -1.711  -1.711
 1185   2HG2  VAL  56          2HG2      VAL  56 -14.307  -1.321  -1.321
 1186   3HG2  VAL  56          1HG2      VAL  56 -13.348  -2.419  -2.419
 1187    H    MET  57           H        MET  57 -15.823  -4.226  -4.226
 1188    HA   MET  57           HA       MET  57 -14.581  -6.787  -6.787
 1189   1HB   MET  57          2HB       MET  57 -17.301  -5.500  -5.500
 1190   2HB   MET  57          1HB       MET  57 -16.993  -7.064  -7.064
 1191   1HG   MET  57          2HG       MET  57 -15.905  -7.463  -7.463
 1192   2HG   MET  57          1HG       MET  57 -17.237  -6.375  -6.375
 1193   1HE   MET  57          2HE       MET  57 -16.468  -9.269  -9.269
 1194   2HE   MET  57          1HE       MET  57 -17.663 -10.493 -10.493
 1195   3HE   MET  57          3HE       MET  57 -16.329 -10.141 -10.141
 1196    H    GLU  58           H        GLU  58 -15.714  -3.915  -3.915
 1197    HA   GLU  58           HA       GLU  58 -15.659  -4.852  -4.852
 1198   1HB   GLU  58          2HB       GLU  58 -15.721  -2.588  -2.588
 1199   2HB   GLU  58          1HB       GLU  58 -16.133  -2.510  -2.510
 1200   1HG   GLU  58          2HG       GLU  58 -14.441  -0.910  -0.910
 1201   2HG   GLU  58          1HG       GLU  58 -13.518  -2.340  -2.340
 1202    H    THR  59           H        THR  59 -12.963  -4.011  -4.011
 1203    HA   THR  59           HA       THR  59 -10.986  -4.375  -4.375
 1204    HB   THR  59           HB       THR  59 -10.883  -3.681  -3.681
 1205    HG1  THR  59           HG1      THR  59 -11.431  -2.266  -2.266
 1206   1HG2  THR  59          2HG2      THR  59  -8.672  -4.209  -4.209
 1207   2HG2  THR  59          1HG2      THR  59  -8.435  -3.098  -3.098
 1208   3HG2  THR  59          3HG2      THR  59  -8.832  -4.789  -4.789
 1209    H    LEU  60           H        LEU  60 -11.600  -5.825  -5.825
 1210    HA   LEU  60           HA       LEU  60  -9.809  -7.923  -7.923
 1211   1HB   LEU  60          2HB       LEU  60 -12.145  -7.148  -7.148
 1212   2HB   LEU  60          1HB       LEU  60 -12.523  -8.760  -8.760
 1213    HG   LEU  60           HG       LEU  60 -10.161  -7.981  -7.981
 1214   1HD1  LEU  60          2HD1      LEU  60 -12.494  -8.331  -8.331
 1215   2HD1  LEU  60          1HD1      LEU  60 -12.328 -10.020 -10.020
 1216   3HD1  LEU  60          3HD1      LEU  60 -11.190  -9.312  -9.312
 1217   1HD2  LEU  60          3HD2      LEU  60  -9.538  -9.646  -9.646
 1218   2HD2  LEU  60          2HD2      LEU  60  -9.526 -10.353 -10.353
 1219   3HD2  LEU  60          1HD2      LEU  60 -10.873 -10.673 -10.673
 1220    H    ASP  61           H        ASP  61 -12.868  -7.808  -7.808
 1221    HA   ASP  61           HA       ASP  61 -12.894 -10.489 -10.489
 1222   1HB   ASP  61          2HB       ASP  61 -14.287  -8.027  -8.027
 1223   2HB   ASP  61          1HB       ASP  61 -13.887  -8.612  -8.612
 1224    H    SER  62           H        SER  62 -11.558  -7.517  -7.517
 1225    HA   SER  62           HA       SER  62 -10.197  -9.108  -9.108
 1226   1HB   SER  62          2HB       SER  62  -9.527  -6.315  -6.315
 1227   2HB   SER  62          1HB       SER  62 -10.508  -7.195  -7.195
 1228    HG   SER  62           HG       SER  62 -12.306  -6.765  -6.765
 1229    H    ASP  63           H        ASP  63  -9.188  -6.546  -6.546
 1230    HA   ASP  63           HA       ASP  63  -6.990  -6.075  -6.075
 1231   1HB   ASP  63          2HB       ASP  63  -8.368  -7.660  -7.660
 1232   2HB   ASP  63          1HB       ASP  63  -7.348  -8.955  -8.955
 1233    H    GLY  64           H        GLY  64  -5.539  -8.948  -8.948
 1234   1HA   GLY  64          2HA       GLY  64  -3.823  -8.553  -8.553
 1235   2HA   GLY  64          1HA       GLY  64  -3.491  -9.642  -9.642
 1236    H    ASP  65           H        ASP  65  -6.668 -10.063 -10.063
 1237    HA   ASP  65           HA       ASP  65  -7.793 -11.872 -11.872
 1238   1HB   ASP  65          2HB       ASP  65  -7.473 -10.675 -10.675
 1239   2HB   ASP  65          1HB       ASP  65  -5.727 -10.929 -10.929
 1240    H    GLY  66           H        GLY  66  -6.746 -13.187 -13.187
 1241   1HA   GLY  66          2HA       GLY  66  -5.867 -15.281 -15.281
 1242   2HA   GLY  66          1HA       GLY  66  -5.598 -15.599 -15.599
 1243    H    GLU  67           H        GLU  67  -4.251 -12.645 -12.645
 1244    HA   GLU  67           HA       GLU  67  -1.630 -13.883 -13.883
 1245   1HB   GLU  67          2HB       GLU  67  -1.804 -13.721 -13.721
 1246   2HB   GLU  67          1HB       GLU  67  -2.109 -11.990 -11.990
 1247   1HG   GLU  67          2HG       GLU  67   0.076 -11.513 -11.513
 1248   2HG   GLU  67          1HG       GLU  67   0.294 -12.939 -12.939
 1249    H    CYS  68           H        CYS  68  -2.808 -12.602 -12.602
 1250    HA   CYS  68           HA       CYS  68  -2.259  -9.688  -9.688
 1251   1HB   CYS  68          2HB       CYS  68  -3.202 -11.448 -11.448
 1252   2HB   CYS  68          1HB       CYS  68  -3.406  -9.703  -9.703
 1253    HG   CYS  68           HG       CYS  68  -5.537 -11.305 -11.305
 1254    H    ASP  69           H        ASP  69   0.112  -9.819  -9.819
 1255    HA   ASP  69           HA       ASP  69   1.564 -11.155 -11.155
 1256   1HB   ASP  69          2HB       ASP  69   2.490 -11.507 -11.507
 1257   2HB   ASP  69          1HB       ASP  69   2.222  -9.841  -9.841
 1258    H    PHE  70           H        PHE  70   3.411 -10.004 -10.004
 1259    HA   PHE  70           HA       PHE  70   3.363  -8.313  -8.313
 1260   1HB   PHE  70          2HB       PHE  70   5.107  -8.172  -8.172
 1261   2HB   PHE  70          1HB       PHE  70   5.324  -6.989  -6.989
 1262    HD1  PHE  70           HD1      PHE  70   4.671 -10.714 -10.714
 1263    HD2  PHE  70           HD2      PHE  70   7.142  -7.489  -7.489
 1264    HE1  PHE  70           HE1      PHE  70   6.050 -12.313 -12.313
 1265    HE2  PHE  70           HE2      PHE  70   8.551  -9.109  -9.109
 1266    HZ   PHE  70           HZ       PHE  70   7.993 -11.513 -11.513
 1267    H    GLN  71           H        GLN  71   3.442  -6.662  -6.662
 1268    HA   GLN  71           HA       GLN  71   2.670  -4.110  -4.110
 1269   1HB   GLN  71          2HB       GLN  71   2.899  -3.351  -3.351
 1270   2HB   GLN  71          1HB       GLN  71   4.163  -4.544  -4.544
 1271   1HG   GLN  71          2HG       GLN  71   3.353  -5.384  -5.384
 1272   2HG   GLN  71          1HG       GLN  71   2.261  -6.212  -6.212
 1273   1HE2  GLN  71          2HE2      GLN  71   0.088  -4.612  -4.612
 1274   2HE2  GLN  71          1HE2      GLN  71   1.234  -5.863  -5.863
 1275    H    GLU  72           H        GLU  72   0.896  -6.687  -6.687
 1276    HA   GLU  72           HA       GLU  72  -1.440  -5.157  -5.157
 1277   1HB   GLU  72          2HB       GLU  72  -1.361  -8.086  -8.086
 1278   2HB   GLU  72          1HB       GLU  72  -2.359  -7.296  -7.296
 1279   1HG   GLU  72          2HG       GLU  72   0.059  -6.586  -6.586
 1280   2HG   GLU  72          1HG       GLU  72   0.506  -8.089  -8.089
 1281    H    PHE  73           H        PHE  73  -0.518  -6.968  -6.968
 1282    HA   PHE  73           HA       PHE  73  -3.044  -6.657  -6.657
 1283   1HB   PHE  73          2HB       PHE  73  -1.862  -8.168  -8.168
 1284   2HB   PHE  73          1HB       PHE  73  -0.341  -7.615  -7.615
 1285    HD1  PHE  73           HD1      PHE  73  -2.936  -6.157  -6.157
 1286    HD2  PHE  73           HD2      PHE  73   1.220  -6.998  -6.998
 1287    HE1  PHE  73           HE1      PHE  73  -2.352  -5.022  -5.022
 1288    HE2  PHE  73           HE2      PHE  73   1.799  -5.874  -5.874
 1289    HZ   PHE  73           HZ       PHE  73   0.013  -4.885  -4.885
 1290    H    MET  74           H        MET  74  -0.034  -4.743  -4.743
 1291    HA   MET  74           HA       MET  74  -0.923  -2.701  -2.701
 1292   1HB   MET  74          2HB       MET  74   1.151  -3.077  -3.077
 1293   2HB   MET  74          1HB       MET  74   0.864  -1.443  -1.443
 1294   1HG   MET  74          2HG       MET  74   0.974  -2.846  -2.846
 1295   2HG   MET  74          1HG       MET  74   2.110  -3.746  -3.746
 1296   1HE   MET  74          2HE       MET  74   0.834  -0.309  -0.309
 1297   2HE   MET  74          1HE       MET  74   2.066   0.676   0.676
 1298   3HE   MET  74          3HE       MET  74   2.139   0.373   0.373
 1299    H    ALA  75           H        ALA  75  -1.239  -3.225  -3.225
 1300    HA   ALA  75           HA       ALA  75  -2.244  -0.674  -0.674
 1301   1HB   ALA  75          2HB       ALA  75  -1.341  -2.665  -2.665
 1302   2HB   ALA  75          1HB       ALA  75  -2.929  -3.403  -3.403
 1303   3HB   ALA  75          3HB       ALA  75  -2.777  -1.889  -1.889
 1304    H    PHE  76           H        PHE  76  -3.964  -3.693  -3.693
 1305    HA   PHE  76           HA       PHE  76  -6.587  -2.440  -2.440
 1306   1HB   PHE  76          2HB       PHE  76  -6.244  -4.718  -4.718
 1307   2HB   PHE  76          1HB       PHE  76  -5.499  -5.142  -5.142
 1308    HD1  PHE  76           HD2      PHE  76  -8.697  -3.647  -3.647
 1309    HD2  PHE  76           HD1      PHE  76  -6.804  -6.244  -6.244
 1310    HE1  PHE  76           HE2      PHE  76 -10.921  -4.295  -4.295
 1311    HE2  PHE  76           HE1      PHE  76  -9.025  -6.891  -6.891
 1312    HZ   PHE  76           HZ       PHE  76 -11.082  -5.918  -5.918
 1313    H    VAL  77           H        VAL  77  -4.544  -3.748  -3.748
 1314    HA   VAL  77           HA       VAL  77  -6.273  -3.395  -3.395
 1315    HB   VAL  77           HB       VAL  77  -3.827  -4.236  -4.236
 1316   1HG1  VAL  77          3HG1      VAL  77  -3.363  -1.279  -1.279
 1317   2HG1  VAL  77          2HG1      VAL  77  -2.135  -2.534  -2.534
 1318   3HG1  VAL  77          1HG1      VAL  77  -2.845  -2.205  -2.205
 1319   1HG2  VAL  77          1HG2      VAL  77  -5.370  -3.138  -3.138
 1320   2HG2  VAL  77          3HG2      VAL  77  -4.160  -4.421  -4.421
 1321   3HG2  VAL  77          2HG2      VAL  77  -3.674  -2.738  -2.738
 1322    H    ALA  78           H        ALA  78  -4.285  -1.011  -1.011
 1323    HA   ALA  78           HA       ALA  78  -5.031   1.259   1.259
 1324   1HB   ALA  78          1HB       ALA  78  -3.216   0.648   0.648
 1325   2HB   ALA  78          3HB       ALA  78  -4.341   1.717   1.717
 1326   3HB   ALA  78          2HB       ALA  78  -3.514   2.272   2.272
 1327    H    MET  79           H        MET  79  -6.202  -0.018  -0.018
 1328    HA   MET  79           HA       MET  79  -8.162   1.972   1.972
 1329   1HB   MET  79          2HB       MET  79  -7.412  -0.680  -0.680
 1330   2HB   MET  79          1HB       MET  79  -9.168  -0.591  -0.591
 1331   1HG   MET  79          2HG       MET  79  -9.146   1.470   1.470
 1332   2HG   MET  79          1HG       MET  79  -7.399   1.311   1.311
 1333   1HE   MET  79          3HE       MET  79  -6.864   1.090   1.090
 1334   2HE   MET  79          2HE       MET  79  -6.213  -0.492  -0.492
 1335   3HE   MET  79          1HE       MET  79  -7.129  -0.296  -0.296
 1336    H    ILE  80           H        ILE  80  -8.235  -0.866  -0.866
 1337    HA   ILE  80           HA       ILE  80 -11.018  -0.790  -0.790
 1338    HB   ILE  80           HB       ILE  80  -8.554  -1.662  -1.662
 1339   1HG1  ILE  80          2HG1      ILE  80  -8.948  -2.590  -2.590
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.799  -3.769  -3.769
 1341   1HG2  ILE  80          3HG2      ILE  80 -10.665  -1.425  -1.425
 1342   2HG2  ILE  80          2HG2      ILE  80 -11.419  -2.601  -2.601
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.047  -3.073  -3.073
 1344   1HD1  ILE  80          3HD1      ILE  80 -11.546  -2.972  -2.972
 1345   2HD1  ILE  80          2HD1      ILE  80 -10.975  -3.423  -3.423
 1346   3HD1  ILE  80          1HD1      ILE  80 -10.852  -4.570  -4.570
 1347    H    THR  81           H        THR  81  -8.345  -0.001  -0.001
 1348    HA   THR  81           HA       THR  81  -9.671   1.480   1.480
 1349    HB   THR  81           HB       THR  81  -7.031   2.381   2.381
 1350    HG1  THR  81           HG1      THR  81  -6.408   0.401   0.401
 1351   1HG2  THR  81          1HG2      THR  81  -8.419   3.212   3.212
 1352   2HG2  THR  81          3HG2      THR  81  -7.452   1.918   1.918
 1353   3HG2  THR  81          2HG2      THR  81  -6.657   3.266   3.266
 1354    H    THR  82           H        THR  82  -8.523   2.695   2.695
 1355    HA   THR  82           HA       THR  82  -9.474   5.409   5.409
 1356    HB   THR  82           HB       THR  82  -8.950   5.594   5.594
 1357    HG1  THR  82           HG1      THR  82  -7.748   3.263   3.263
 1358   1HG2  THR  82          3HG2      THR  82  -7.229   5.790   5.790
 1359   2HG2  THR  82          2HG2      THR  82  -6.814   4.102   4.102
 1360   3HG2  THR  82          1HG2      THR  82  -6.576   5.311   5.311
 1361    H    ALA  83           H        ALA  83 -10.627   2.687   2.687
 1362    HA   ALA  83           HA       ALA  83 -13.027   3.926   3.926
 1363   1HB   ALA  83          2HB       ALA  83 -12.026   1.838   1.838
 1364   2HB   ALA  83          1HB       ALA  83 -12.400   1.019   1.019
 1365   3HB   ALA  83          3HB       ALA  83 -13.706   1.576   1.576
 1366    H    CYS  84           H        CYS  84 -12.077   2.736   2.736
 1367    HA   CYS  84           HA       CYS  84 -14.818   2.373   2.373
 1368   1HB   CYS  84          2HB       CYS  84 -12.951   0.921   0.921
 1369   2HB   CYS  84          1HB       CYS  84 -12.049   2.328   2.328
 1370    HG   CYS  84           HG       CYS  84 -13.211   1.622   1.622
 1371    H    HIS  85           H        HIS  85 -13.286   5.066   5.066
 1372    HA   HIS  85           HA       HIS  85 -13.197   7.297   7.297
 1373   1HB   HIS  85          2HB       HIS  85 -15.780   6.008   6.008
 1374   2HB   HIS  85          1HB       HIS  85 -15.430   7.587   7.587
 1375    HD1  HIS  85           HD1      HIS  85 -14.926   9.559   9.559
 1376    HD2  HIS  85           HD2      HIS  85 -16.565   6.089   6.089
 1377    HE1  HIS  85           HE1      HIS  85 -15.785  10.183  10.183
 1378    H    GLU  86           H        GLU  86 -11.981   5.055   5.055
 1379    HA   GLU  86           HA       GLU  86 -12.306   6.156   6.156
 1380   1HB   GLU  86          2HB       GLU  86 -12.594   3.762   3.762
 1381   2HB   GLU  86          1HB       GLU  86 -11.050   3.642   3.642
 1382   1HG   GLU  86          2HG       GLU  86 -10.145   4.766   4.766
 1383   2HG   GLU  86          1HG       GLU  86 -11.592   4.015   4.015
 1384    H    PHE  87           H        PHE  87  -9.374   4.515   4.515
 1385    HA   PHE  87           HA       PHE  87  -7.133   5.227   5.227
 1386   1HB   PHE  87          2HB       PHE  87  -8.445   6.516   6.516
 1387   2HB   PHE  87          1HB       PHE  87  -7.385   7.701   7.701
 1388    HD1  PHE  87           HD1      PHE  87  -7.559   4.446   4.446
 1389    HD2  PHE  87           HD2      PHE  87  -4.882   7.457   7.457
 1390    HE1  PHE  87           HE1      PHE  87  -5.648   3.399   3.399
 1391    HE2  PHE  87           HE2      PHE  87  -3.009   6.383   6.383
 1392    HZ   PHE  87           HZ       PHE  87  -3.378   4.364   4.364
 1393    H    PHE  88           H        PHE  88  -8.288   8.521   8.521
 1394    HA   PHE  88           HA       PHE  88  -6.881   9.401   9.401
 1395   1HB   PHE  88          2HB       PHE  88  -8.855  10.539  10.539
 1396   2HB   PHE  88          1HB       PHE  88  -8.188  11.522  11.522
 1397    HD1  PHE  88           HD2      PHE  88  -6.275   8.794   8.794
 1398    HD2  PHE  88           HD1      PHE  88  -6.981  13.027  13.027
 1399    HE1  PHE  88           HE2      PHE  88  -4.275   9.146   9.146
 1400    HE2  PHE  88           HE1      PHE  88  -4.975  13.420  13.420
 1401    HZ   PHE  88           HZ       PHE  88  -3.627  11.522  11.522
 1402    H    GLU  89           H        GLU  89  -8.323  10.992  10.992
 1403    HA   GLU  89           HA       GLU  89 -10.026   9.283   9.283
 1404   1HB   GLU  89          2HB       GLU  89  -8.580  11.620  11.620
 1405   2HB   GLU  89          1HB       GLU  89 -10.245  12.195  12.195
 1406   1HG   GLU  89          2HG       GLU  89 -10.519  10.080  10.080
 1407   2HG   GLU  89          1HG       GLU  89  -8.796  10.363  10.363
 1408    H    HIS  90           H        HIS  90 -10.802  12.304  12.304
 1409    HA   HIS  90           HA       HIS  90 -13.601  11.261  11.261
 1410   1HB   HIS  90          2HB       HIS  90 -13.391  13.144  13.144
 1411   2HB   HIS  90          1HB       HIS  90 -12.545  14.088  14.088
 1412    HD1  HIS  90           HD1      HIS  90 -15.352  11.997  11.997
 1413    HD2  HIS  90           HD2      HIS  90 -14.810  15.929  15.929
 1414    HE1  HIS  90           HE1      HIS  90 -17.416  13.275  13.275
 1415    H    GLU  91           H        GLU  91 -13.978  10.769  10.769
 1416    HA   GLU  91           HA       GLU  91 -12.824  12.577  12.577
 1417   1HB   GLU  91          2HB       GLU  91 -11.941  10.049  10.049
 1418   2HB   GLU  91          1HB       GLU  91 -13.169   9.710   9.710
 1419   1HG   GLU  91          2HG       GLU  91 -11.818  11.924  11.924
 1420   2HG   GLU  91          1HG       GLU  91 -10.538  10.929  10.929

  Start of MODEL   16
    1   1H    MET   0          1H        MET   0   0.662  -9.356  -9.356
    2   2H    MET   0          3H        MET   0   0.533  -9.998  -9.998
    3   3H    MET   0          2H        MET   0   0.622 -11.040 -11.040
    4    HA   MET   0           HA       MET   0  -1.537 -10.483 -10.483
    5   1HB   MET   0          2HB       MET   0  -0.886 -11.598 -11.598
    6   2HB   MET   0          1HB       MET   0  -2.172 -10.457 -10.457
    7   1HG   MET   0          2HG       MET   0  -3.476 -11.456 -11.456
    8   2HG   MET   0          1HG       MET   0  -2.263 -12.736 -12.736
    9   1HE   MET   0          2HE       MET   0  -4.164 -10.544 -10.544
   10   2HE   MET   0          1HE       MET   0  -5.583 -11.501 -11.501
   11   3HE   MET   0          3HE       MET   0  -4.916 -11.570 -11.570
   12    H    SER   1           H        SER   1  -0.798  -8.517  -8.517
   13    HA   SER   1           HA       SER   1  -2.900  -6.578  -6.578
   14   1HB   SER   1          2HB       SER   1  -1.475  -5.517  -5.517
   15   2HB   SER   1          1HB       SER   1  -2.748  -6.717  -6.717
   16    HG   SER   1           HG       SER   1  -1.249  -7.979  -7.979
   17    H    GLU   2           H        GLU   2   0.647  -6.315  -6.315
   18    HA   GLU   2           HA       GLU   2   1.157  -3.739  -3.739
   19   1HB   GLU   2          2HB       GLU   2   2.648  -6.279  -6.279
   20   2HB   GLU   2          1HB       GLU   2   3.337  -4.656  -4.656
   21   1HG   GLU   2          2HG       GLU   2   3.914  -4.957  -4.957
   22   2HG   GLU   2          1HG       GLU   2   2.195  -4.869  -4.869
   23    H    LEU   3           H        LEU   3   0.204  -6.454  -6.454
   24    HA   LEU   3           HA       LEU   3   0.854  -5.446  -5.446
   25   1HB   LEU   3          2HB       LEU   3   0.142  -7.684  -7.684
   26   2HB   LEU   3          1HB       LEU   3  -1.260  -7.245  -7.245
   27    HG   LEU   3           HG       LEU   3  -1.657  -5.917  -5.917
   28   1HD1  LEU   3          1HD1      LEU   3   0.243  -7.464  -7.464
   29   2HD1  LEU   3          3HD1      LEU   3  -0.911  -8.778  -8.778
   30   3HD1  LEU   3          2HD1      LEU   3  -1.255  -7.486  -7.486
   31   1HD2  LEU   3          3HD2      LEU   3  -3.243  -7.227  -7.227
   32   2HD2  LEU   3          2HD2      LEU   3  -3.553  -7.353  -7.353
   33   3HD2  LEU   3          1HD2      LEU   3  -2.727  -8.657  -8.657
   34    H    GLU   4           H        GLU   4  -2.545  -5.653  -5.653
   35    HA   GLU   4           HA       GLU   4  -3.381  -3.398  -3.398
   36   1HB   GLU   4          2HB       GLU   4  -4.443  -5.058  -5.058
   37   2HB   GLU   4          1HB       GLU   4  -5.360  -3.646  -3.646
   38   1HG   GLU   4          2HG       GLU   4  -4.400  -5.818  -5.818
   39   2HG   GLU   4          1HG       GLU   4  -6.006  -5.806  -5.806
   40    H    LYS   5           H        LYS   5  -2.695  -3.709  -3.709
   41    HA   LYS   5           HA       LYS   5  -3.339  -1.141  -1.141
   42   1HB   LYS   5          2HB       LYS   5  -0.984  -2.957  -2.957
   43   2HB   LYS   5          1HB       LYS   5  -1.413  -1.551  -1.551
   44   1HG   LYS   5          2HG       LYS   5  -3.695  -3.336  -3.336
   45   2HG   LYS   5          1HG       LYS   5  -2.415  -4.091  -4.091
   46   1HD   LYS   5          2HD       LYS   5  -2.749  -1.460  -1.460
   47   2HD   LYS   5          1HD       LYS   5  -4.362  -2.152  -2.152
   48   1HE   LYS   5          2HE       LYS   5  -3.758  -4.074  -4.074
   49   2HE   LYS   5          1HE       LYS   5  -2.056  -3.571  -3.571
   50   1HZ   LYS   5          1HZ       LYS   5  -4.156  -1.695  -1.695
   51   2HZ   LYS   5          3HZ       LYS   5  -3.607  -2.882  -2.882
   52   3HZ   LYS   5          2HZ       LYS   5  -2.516  -1.746  -1.746
   53    H    ALA   6           H        ALA   6  -0.745  -2.159  -2.159
   54    HA   ALA   6           HA       ALA   6   0.927   0.162   0.162
   55   1HB   ALA   6          3HB       ALA   6   1.285  -2.086  -2.086
   56   2HB   ALA   6          2HB       ALA   6   0.239  -1.458  -1.458
   57   3HB   ALA   6          1HB       ALA   6   1.764  -0.652  -0.652
   58    H    VAL   7           H        VAL   7  -1.956  -0.656  -0.656
   59    HA   VAL   7           HA       VAL   7  -2.217   1.732   1.732
   60    HB   VAL   7           HB       VAL   7  -3.584  -0.689  -0.689
   61   1HG1  VAL   7          3HG1      VAL   7  -5.285   1.732   1.732
   62   2HG1  VAL   7          2HG1      VAL   7  -5.979   0.209   0.209
   63   3HG1  VAL   7          1HG1      VAL   7  -5.086   0.267   0.267
   64   1HG2  VAL   7          2HG2      VAL   7  -3.120   0.624   0.624
   65   2HG2  VAL   7          1HG2      VAL   7  -4.642  -0.262  -0.262
   66   3HG2  VAL   7          3HG2      VAL   7  -4.620   1.483   1.483
   67    H    VAL   8           H        VAL   8  -3.660   0.827   0.827
   68    HA   VAL   8           HA       VAL   8  -4.923   3.238   3.238
   69    HB   VAL   8           HB       VAL   8  -3.568   0.992   0.992
   70   1HG1  VAL   8          2HG1      VAL   8  -4.249   3.628   3.628
   71   2HG1  VAL   8          1HG1      VAL   8  -4.806   2.217   2.217
   72   3HG1  VAL   8          3HG1      VAL   8  -3.089   2.420   2.420
   73   1HG2  VAL   8          1HG2      VAL   8  -6.092   1.433   1.433
   74   2HG2  VAL   8          3HG2      VAL   8  -5.684   0.197   0.197
   75   3HG2  VAL   8          2HG2      VAL   8  -6.313   1.756   1.756
   76    H    ALA   9           H        ALA   9  -1.533   2.498   2.498
   77    HA   ALA   9           HA       ALA   9  -0.670   4.859   4.859
   78   1HB   ALA   9          2HB       ALA   9   0.435   2.362   2.362
   79   2HB   ALA   9          1HB       ALA   9   1.511   3.736   3.736
   80   3HB   ALA   9          3HB       ALA   9   0.976   3.320   3.320
   81    H    LEU  10           H        LEU  10  -0.003   3.646   3.646
   82    HA   LEU  10           HA       LEU  10   1.036   5.935   5.935
   83   1HB   LEU  10          2HB       LEU  10  -1.124   4.130   4.130
   84   2HB   LEU  10          1HB       LEU  10   0.011   5.091   5.091
   85    HG   LEU  10           HG       LEU  10   0.655   2.725   2.725
   86   1HD1  LEU  10          3HD1      LEU  10   0.148   3.078   3.078
   87   2HD1  LEU  10          2HD1      LEU  10   1.828   2.593   2.593
   88   3HD1  LEU  10          1HD1      LEU  10   0.527   1.590   1.590
   89   1HD2  LEU  10          3HD2      LEU  10   2.297   5.007   5.007
   90   2HD2  LEU  10          2HD2      LEU  10   2.586   3.864   3.864
   91   3HD2  LEU  10          1HD2      LEU  10   2.996   3.426   3.426
   92    H    ILE  11           H        ILE  11  -2.377   5.051   5.051
   93    HA   ILE  11           HA       ILE  11  -3.665   7.181   7.181
   94    HB   ILE  11           HB       ILE  11  -5.440   6.691   6.691
   95   1HG1  ILE  11          2HG1      ILE  11  -4.748   4.809   4.809
   96   2HG1  ILE  11          1HG1      ILE  11  -3.159   5.548   5.548
   97   1HG2  ILE  11          3HG2      ILE  11  -3.874   4.511   4.511
   98   2HG2  ILE  11          2HG2      ILE  11  -5.186   4.052   4.052
   99   3HG2  ILE  11          1HG2      ILE  11  -5.512   5.053   5.053
  100   1HD1  ILE  11          3HD1      ILE  11  -4.915   7.708   7.708
  101   2HD1  ILE  11          2HD1      ILE  11  -5.521   6.522   6.522
  102   3HD1  ILE  11          1HD1      ILE  11  -3.851   7.084   7.084
  103    H    ASP  12           H        ASP  12  -2.304   7.117   7.117
  104    HA   ASP  12           HA       ASP  12  -3.083   9.740   9.740
  105   1HB   ASP  12          2HB       ASP  12  -1.617   7.531   7.531
  106   2HB   ASP  12          1HB       ASP  12  -0.432   8.840   8.840
  107    H    VAL  13           H        VAL  13  -0.390   8.430   8.430
  108    HA   VAL  13           HA       VAL  13   1.015  10.935  10.935
  109    HB   VAL  13           HB       VAL  13   1.276   8.610   8.610
  110   1HG1  VAL  13          3HG1      VAL  13   2.780  10.906  10.906
  111   2HG1  VAL  13          2HG1      VAL  13   3.688   9.471   9.471
  112   3HG1  VAL  13          1HG1      VAL  13   3.197   9.710   9.710
  113   1HG2  VAL  13          1HG2      VAL  13   1.886   8.598   8.598
  114   2HG2  VAL  13          3HG2      VAL  13   1.072   7.356   7.356
  115   3HG2  VAL  13          2HG2      VAL  13   2.808   7.601   7.601
  116    H    PHE  14           H        PHE  14  -1.276   9.041   9.041
  117    HA   PHE  14           HA       PHE  14  -1.194  10.676  10.676
  118   1HB   PHE  14          2HB       PHE  14  -3.168   8.815   8.815
  119   2HB   PHE  14          1HB       PHE  14  -3.957  10.242  10.242
  120    HD1  PHE  14           HD2      PHE  14  -3.315  11.090  11.090
  121    HD2  PHE  14           HD1      PHE  14  -2.200   7.170   7.170
  122    HE1  PHE  14           HE2      PHE  14  -2.809  10.397  10.397
  123    HE2  PHE  14           HE1      PHE  14  -1.727   6.484   6.484
  124    HZ   PHE  14           HZ       PHE  14  -2.016   8.096   8.096
  125    H    HIS  15           H        HIS  15  -3.094  11.141  11.141
  126    HA   HIS  15           HA       HIS  15  -4.372  13.572  13.572
  127   1HB   HIS  15          2HB       HIS  15  -4.766  12.401  12.401
  128   2HB   HIS  15          1HB       HIS  15  -3.053  12.428  12.428
  129    HD1  HIS  15           HD1      HIS  15  -5.912  14.892  14.892
  130    HD2  HIS  15           HD2      HIS  15  -2.342  14.589  14.589
  131    HE1  HIS  15           HE1      HIS  15  -5.772  16.957  16.957
  132    H    GLN  16           H        GLN  16  -1.042  12.992  12.992
  133    HA   GLN  16           HA       GLN  16  -0.310  15.811  15.811
  134   1HB   GLN  16          2HB       GLN  16   1.309  13.242  13.242
  135   2HB   GLN  16          1HB       GLN  16   1.952  14.851  14.851
  136   1HG   GLN  16          2HG       GLN  16  -0.372  14.382  14.382
  137   2HG   GLN  16          1HG       GLN  16   0.757  13.040  13.040
  138   1HE2  GLN  16          2HE2      GLN  16   1.974  16.813  16.813
  139   2HE2  GLN  16          1HE2      GLN  16   0.721  16.648  16.648
  140    H    TYR  17           H        TYR  17   1.176  13.200  13.200
  141    HA   TYR  17           HA       TYR  17   2.526  14.486  14.486
  142   1HB   TYR  17          2HB       TYR  17   0.888  12.029  12.029
  143   2HB   TYR  17          1HB       TYR  17   1.313  12.564  12.564
  144    HD1  TYR  17           HD1      TYR  17   2.670  11.669  11.669
  145    HD2  TYR  17           HD2      TYR  17   3.587  12.488  12.488
  146    HE1  TYR  17           HE1      TYR  17   4.988  10.840  10.840
  147    HE2  TYR  17           HE2      TYR  17   5.906  11.686  11.686
  148    HH   TYR  17           HH       TYR  17   7.405  11.506  11.506
  149    H    SER  18           H        SER  18  -0.863  13.610  13.610
  150    HA   SER  18           HA       SER  18  -0.877  15.685  15.685
  151   1HB   SER  18          2HB       SER  18  -2.636  13.511  13.511
  152   2HB   SER  18          1HB       SER  18  -3.417  14.823  14.823
  153    HG   SER  18           HG       SER  18  -1.842  14.461  14.461
  154    H    GLY  19           H        GLY  19  -1.398  15.765  15.765
  155   1HA   GLY  19          2HA       GLY  19  -3.197  18.144  18.144
  156   2HA   GLY  19          1HA       GLY  19  -3.238  17.068  17.068
  157    H    ARG  20           H        ARG  20  -0.128  17.760  17.760
  158    HA   ARG  20           HA       ARG  20   0.380  19.690  19.690
  159   1HB   ARG  20          2HB       ARG  20   2.491  18.577  18.577
  160   2HB   ARG  20          1HB       ARG  20   1.292  17.290  17.290
  161   1HG   ARG  20          2HG       ARG  20   1.871  16.942  16.942
  162   2HG   ARG  20          1HG       ARG  20   2.938  18.348  18.348
  163   1HD   ARG  20          2HD       ARG  20   3.347  15.942  15.942
  164   2HD   ARG  20          1HD       ARG  20   4.166  16.152  16.152
  165    HE   ARG  20           HE       ARG  20   4.489  18.570  18.570
  166   1HH1  ARG  20          1HH2      ARG  20   6.036  15.692  15.692
  167   2HH1  ARG  20          2HH2      ARG  20   7.208  15.786  15.786
  168   1HH2  ARG  20          2HH1      ARG  20   5.719  18.513  18.513
  169   2HH2  ARG  20          1HH1      ARG  20   7.029  17.382  17.382
  170    H    GLU  21           H        GLU  21  -0.094  19.689  19.689
  171    HA   GLU  21           HA       GLU  21   2.040  21.719  21.719
  172   1HB   GLU  21          2HB       GLU  21   2.503  19.429  19.429
  173   2HB   GLU  21          1HB       GLU  21   1.039  19.615  19.615
  174   1HG   GLU  21          2HG       GLU  21   2.477  22.006  22.006
  175   2HG   GLU  21          1HG       GLU  21   3.678  20.718  20.718
  176    H    GLY  22           H        GLY  22  -1.165  20.442  20.442
  177   1HA   GLY  22          2HA       GLY  22  -2.540  22.844  22.844
  178   2HA   GLY  22          1HA       GLY  22  -1.866  22.651  22.651
  179    H    ASP  23           H        ASP  23  -2.241  20.310  20.310
  180    HA   ASP  23           HA       ASP  23  -4.911  19.838  19.838
  181   1HB   ASP  23          2HB       ASP  23  -2.401  18.553  18.553
  182   2HB   ASP  23          1HB       ASP  23  -3.525  17.328  17.328
  183    H    LYS  24           H        LYS  24  -6.212  17.822  17.822
  184    HA   LYS  24           HA       LYS  24  -6.560  17.976  17.976
  185   1HB   LYS  24          2HB       LYS  24  -7.965  16.508  16.508
  186   2HB   LYS  24          1HB       LYS  24  -8.521  16.497  16.497
  187   1HG   LYS  24          2HG       LYS  24  -8.857  18.884  18.884
  188   2HG   LYS  24          1HG       LYS  24  -8.074  19.036  19.036
  189   1HD   LYS  24          2HD       LYS  24  -9.870  17.671  17.671
  190   2HD   LYS  24          1HD       LYS  24 -10.660  17.553  17.553
  191   1HE   LYS  24          2HE       LYS  24 -11.322  19.787  19.787
  192   2HE   LYS  24          1HE       LYS  24  -9.996  20.279  20.279
  193   1HZ   LYS  24          2HZ       LYS  24 -12.006  18.334  18.334
  194   2HZ   LYS  24          1HZ       LYS  24 -12.356  19.996  19.996
  195   3HZ   LYS  24          3HZ       LYS  24 -11.027  19.381  19.381
  196    H    HIS  25           H        HIS  25  -6.915  14.981  14.981
  197    HA   HIS  25           HA       HIS  25  -4.636  13.792  13.792
  198   1HB   HIS  25          2HB       HIS  25  -7.468  12.736  12.736
  199   2HB   HIS  25          1HB       HIS  25  -6.116  11.879  11.879
  200    HD1  HIS  25           HD1      HIS  25  -8.539  14.638  14.638
  201    HD2  HIS  25           HD2      HIS  25  -5.130  13.070  13.070
  202    HE1  HIS  25           HE1      HIS  25  -8.440  15.641  15.641
  203    H    LYS  26           H        LYS  26  -4.154  14.397  14.397
  204    HA   LYS  26           HA       LYS  26  -4.078  11.793  11.793
  205   1HB   LYS  26          2HB       LYS  26  -5.317  14.354  14.354
  206   2HB   LYS  26          1HB       LYS  26  -4.882  12.991  12.991
  207   1HG   LYS  26          2HG       LYS  26  -6.992  12.268  12.268
  208   2HG   LYS  26          1HG       LYS  26  -6.310  11.735  11.735
  209   1HD   LYS  26          2HD       LYS  26  -6.792  14.341  14.341
  210   2HD   LYS  26          1HD       LYS  26  -8.080  14.046  14.046
  211   1HE   LYS  26          2HE       LYS  26  -8.728  12.003  12.003
  212   2HE   LYS  26          1HE       LYS  26  -7.563  12.523  12.523
  213   1HZ   LYS  26          3HZ       LYS  26  -9.511  14.444  14.444
  214   2HZ   LYS  26          2HZ       LYS  26  -9.989  13.367  13.367
  215   3HZ   LYS  26          1HZ       LYS  26  -8.716  14.456  14.456
  216    H    LEU  27           H        LEU  27  -1.853  11.666  11.666
  217    HA   LEU  27           HA       LEU  27  -0.269  14.129  14.129
  218   1HB   LEU  27          2HB       LEU  27   0.297  11.187  11.187
  219   2HB   LEU  27          1HB       LEU  27   1.581  12.368  12.368
  220    HG   LEU  27           HG       LEU  27   0.105  13.609  13.609
  221   1HD1  LEU  27          2HD1      LEU  27  -1.281  11.442  11.442
  222   2HD1  LEU  27          1HD1      LEU  27   0.144  10.697  10.697
  223   3HD1  LEU  27          3HD1      LEU  27  -0.655  12.047  12.047
  224   1HD2  LEU  27          3HD2      LEU  27   2.624  12.296  12.296
  225   2HD2  LEU  27          2HD2      LEU  27   2.179  13.550  13.550
  226   3HD2  LEU  27          1HD2      LEU  27   1.962  11.848  11.848
  227    H    LYS  28           H        LYS  28   1.606  13.836  13.836
  228    HA   LYS  28           HA       LYS  28   0.468  12.741  12.741
  229   1HB   LYS  28          2HB       LYS  28   2.150  15.225  15.225
  230   2HB   LYS  28          1HB       LYS  28   1.426  14.726  14.726
  231   1HG   LYS  28          2HG       LYS  28  -0.714  15.315  15.315
  232   2HG   LYS  28          1HG       LYS  28  -0.374  15.038  15.038
  233   1HD   LYS  28          2HD       LYS  28   0.840  17.316  17.316
  234   2HD   LYS  28          1HD       LYS  28  -0.639  17.475  17.475
  235   1HE   LYS  28          2HE       LYS  28   1.434  16.196  16.196
  236   2HE   LYS  28          1HE       LYS  28   1.991  17.763  17.763
  237   1HZ   LYS  28          1HZ       LYS  28  -0.426  18.471  18.471
  238   2HZ   LYS  28          3HZ       LYS  28  -0.333  17.158  17.158
  239   3HZ   LYS  28          2HZ       LYS  28   0.784  18.433  18.433
  240    H    LYS  29           H        LYS  29   2.158  12.090  12.090
  241    HA   LYS  29           HA       LYS  29   4.125  10.361  10.361
  242   1HB   LYS  29          2HB       LYS  29   4.318  12.435  12.435
  243   2HB   LYS  29          1HB       LYS  29   5.264  10.949  10.949
  244   1HG   LYS  29          2HG       LYS  29   3.532   9.673   9.673
  245   2HG   LYS  29          1HG       LYS  29   2.373  10.527  10.527
  246   1HD   LYS  29          2HD       LYS  29   3.536  11.741  11.741
  247   2HD   LYS  29          1HD       LYS  29   2.038  10.806  10.806
  248   1HE   LYS  29          2HE       LYS  29   2.458  13.167  13.167
  249   2HE   LYS  29          1HE       LYS  29   1.735  13.335  13.335
  250   1HZ   LYS  29          1HZ       LYS  29   0.676  11.106  11.106
  251   2HZ   LYS  29          3HZ       LYS  29   0.414  12.570  12.570
  252   3HZ   LYS  29          2HZ       LYS  29  -0.144  12.373  12.373
  253    H    SER  30           H        SER  30   4.329  13.883  13.883
  254    HA   SER  30           HA       SER  30   7.186  13.963  13.963
  255   1HB   SER  30          2HB       SER  30   5.734  15.776  15.776
  256   2HB   SER  30          1HB       SER  30   5.023  16.014  16.014
  257    HG   SER  30           HG       SER  30   7.396  16.863  16.863
  258    H    GLU  31           H        GLU  31   4.285  14.721  14.721
  259    HA   GLU  31           HA       GLU  31   5.596  14.844  14.844
  260   1HB   GLU  31          2HB       GLU  31   2.954  14.792  14.792
  261   2HB   GLU  31          1HB       GLU  31   3.030  13.498  13.498
  262   1HG   GLU  31          2HG       GLU  31   3.682  16.423  16.423
  263   2HG   GLU  31          1HG       GLU  31   2.409  15.482  15.482
  264    H    LEU  32           H        LEU  32   4.534  12.143  12.143
  265    HA   LEU  32           HA       LEU  32   4.793   9.976   9.976
  266   1HB   LEU  32          2HB       LEU  32   3.917   9.957   9.957
  267   2HB   LEU  32          1HB       LEU  32   5.549  10.217  10.217
  268    HG   LEU  32           HG       LEU  32   6.273   8.089   8.089
  269   1HD1  LEU  32          1HD1      LEU  32   3.949   8.408   8.408
  270   2HD1  LEU  32          3HD1      LEU  32   3.628   7.013   7.013
  271   3HD1  LEU  32          2HD1      LEU  32   5.044   7.031   7.031
  272   1HD2  LEU  32          3HD2      LEU  32   4.512   8.425   8.425
  273   2HD2  LEU  32          2HD2      LEU  32   5.658   7.112   7.112
  274   3HD2  LEU  32          1HD2      LEU  32   3.998   6.960   6.960
  275    H    LYS  33           H        LYS  33   7.284  11.172  11.172
  276    HA   LYS  33           HA       LYS  33   9.474   9.656   9.656
  277   1HB   LYS  33          2HB       LYS  33   8.926  12.123  12.123
  278   2HB   LYS  33          1HB       LYS  33  10.307  12.383  12.383
  279   1HG   LYS  33          2HG       LYS  33  10.025  10.208  10.208
  280   2HG   LYS  33          1HG       LYS  33  11.123  11.587  11.587
  281   1HD   LYS  33          2HD       LYS  33  12.624  10.597  10.597
  282   2HD   LYS  33          1HD       LYS  33  11.365   9.992   9.992
  283   1HE   LYS  33          2HE       LYS  33  12.505   8.092   8.092
  284   2HE   LYS  33          1HE       LYS  33  10.852   8.205   8.205
  285   1HZ   LYS  33          1HZ       LYS  33  12.107   9.888   9.888
  286   2HZ   LYS  33          3HZ       LYS  33  13.385   8.819   8.819
  287   3HZ   LYS  33          2HZ       LYS  33  11.937   8.234   8.234
  288    H    GLU  34           H        GLU  34   8.378  12.712  12.712
  289    HA   GLU  34           HA       GLU  34  10.316  12.896  12.896
  290   1HB   GLU  34          2HB       GLU  34   8.074  14.247  14.247
  291   2HB   GLU  34          1HB       GLU  34   7.457  13.389  13.389
  292   1HG   GLU  34          2HG       GLU  34   8.373  15.093  15.093
  293   2HG   GLU  34          1HG       GLU  34   9.912  14.289  14.289
  294    H    LEU  35           H        LEU  35   7.151  11.294  11.294
  295    HA   LEU  35           HA       LEU  35   7.153  10.223  10.223
  296   1HB   LEU  35          2HB       LEU  35   5.506  10.193  10.193
  297   2HB   LEU  35          1HB       LEU  35   6.208   8.599   8.599
  298    HG   LEU  35           HG       LEU  35   5.586   9.011   9.011
  299   1HD1  LEU  35          3HD1      LEU  35   3.749  10.268  10.268
  300   2HD1  LEU  35          2HD1      LEU  35   3.049   8.661   8.661
  301   3HD1  LEU  35          1HD1      LEU  35   3.410   9.655   9.655
  302   1HD2  LEU  35          3HD2      LEU  35   6.009   6.902   6.902
  303   2HD2  LEU  35          2HD2      LEU  35   4.886   6.808   6.808
  304   3HD2  LEU  35          1HD2      LEU  35   4.277   7.018   7.018
  305    H    ILE  36           H        ILE  36   8.884   8.875   8.875
  306    HA   ILE  36           HA       ILE  36   9.707   6.533   6.533
  307    HB   ILE  36           HB       ILE  36  11.179   7.064   7.064
  308   1HG1  ILE  36          2HG1      ILE  36   9.115   8.148   8.148
  309   2HG1  ILE  36          1HG1      ILE  36   9.197   6.546   6.546
  310   1HG2  ILE  36          1HG2      ILE  36   9.714   4.881   4.881
  311   2HG2  ILE  36          3HG2      ILE  36   9.896   4.753   4.753
  312   3HG2  ILE  36          2HG2      ILE  36  11.323   4.883   4.883
  313   1HD1  ILE  36          3HD1      ILE  36   7.941   6.353   6.353
  314   2HD1  ILE  36          2HD1      ILE  36   7.125   7.583   7.583
  315   3HD1  ILE  36          1HD1      ILE  36   7.283   5.940   5.940
  316    H    ASN  37           H        ASN  37  11.303   9.365   9.365
  317    HA   ASN  37           HA       ASN  37  13.914   8.895   8.895
  318   1HB   ASN  37          2HB       ASN  37  12.607  11.553  11.553
  319   2HB   ASN  37          1HB       ASN  37  14.310  11.134  11.134
  320   1HD2  ASN  37          2HD2      ASN  37  13.344   8.928   8.928
  321   2HD2  ASN  37          1HD2      ASN  37  13.977   8.614   8.614
  322    H    ASN  38           H        ASN  38  11.027   9.905   9.905
  323    HA   ASN  38           HA       ASN  38  12.247  11.462  11.462
  324   1HB   ASN  38          2HB       ASN  38   9.657  10.532  10.532
  325   2HB   ASN  38          1HB       ASN  38   9.831  10.240  10.240
  326   1HD2  ASN  38          2HD2      ASN  38  10.186  14.143  14.143
  327   2HD2  ASN  38          1HD2      ASN  38  10.746  12.894  12.894
  328    H    GLU  39           H        GLU  39  11.284   8.057   8.057
  329    HA   GLU  39           HA       GLU  39  12.705   7.420   7.420
  330   1HB   GLU  39          2HB       GLU  39  10.195   7.027   7.027
  331   2HB   GLU  39          1HB       GLU  39  10.657   5.769   5.769
  332   1HG   GLU  39          2HG       GLU  39  10.333   4.739   4.739
  333   2HG   GLU  39          1HG       GLU  39  12.055   4.719   4.719
  334    H    LEU  40           H        LEU  40  12.332   6.601   6.601
  335    HA   LEU  40           HA       LEU  40  14.411   4.477   4.477
  336   1HB   LEU  40          2HB       LEU  40  12.468   5.336   5.336
  337   2HB   LEU  40          1HB       LEU  40  13.626   4.020   4.020
  338    HG   LEU  40           HG       LEU  40  11.556   4.153   4.153
  339   1HD1  LEU  40          2HD1      LEU  40  11.468   3.129   3.129
  340   2HD1  LEU  40          1HD1      LEU  40  10.812   2.061   2.061
  341   3HD1  LEU  40          3HD1      LEU  40  10.154   3.684   3.684
  342   1HD2  LEU  40          2HD2      LEU  40  13.710   2.237   2.237
  343   2HD2  LEU  40          1HD2      LEU  40  13.203   2.723   2.723
  344   3HD2  LEU  40          3HD2      LEU  40  12.224   1.585   1.585
  345    H    SER  41           H        SER  41  15.647   6.847   6.847
  346    HA   SER  41           HA       SER  41  16.431   8.569   8.569
  347   1HB   SER  41          2HB       SER  41  17.368   8.789   8.789
  348   2HB   SER  41          1HB       SER  41  17.953   7.128   7.128
  349    HG   SER  41           HG       SER  41  19.566   7.682   7.682
  350    H    HIS  42           H        HIS  42  17.142   5.131   5.131
  351    HA   HIS  42           HA       HIS  42  19.353   4.764   4.764
  352   1HB   HIS  42          2HB       HIS  42  16.708   3.359   3.359
  353   2HB   HIS  42          1HB       HIS  42  17.890   2.753   2.753
  354    HD1  HIS  42           HD1      HIS  42  18.964   0.791   0.791
  355    HD2  HIS  42           HD2      HIS  42  18.604   4.054   4.054
  356    HE1  HIS  42           HE1      HIS  42  20.145   0.148   0.148
  357    H    PHE  43           H        PHE  43  16.055   5.646   5.646
  358    HA   PHE  43           HA       PHE  43  16.690   5.533   5.533
  359   1HB   PHE  43          2HB       PHE  43  14.432   6.671   6.671
  360   2HB   PHE  43          1HB       PHE  43  14.450   6.762   6.762
  361    HD1  PHE  43           HD2      PHE  43  15.169   4.418   4.418
  362    HD2  PHE  43           HD1      PHE  43  13.329   4.879   4.879
  363    HE1  PHE  43           HE2      PHE  43  14.345   2.075   2.075
  364    HE2  PHE  43           HE1      PHE  43  12.525   2.529   2.529
  365    HZ   PHE  43           HZ       PHE  43  13.038   1.131   1.131
  366    H    LEU  44           H        LEU  44  17.099   7.889   7.889
  367    HA   LEU  44           HA       LEU  44  17.047  10.337  10.337
  368   1HB   LEU  44          2HB       LEU  44  17.702   9.571   9.571
  369   2HB   LEU  44          1HB       LEU  44  19.340   9.655   9.655
  370    HG   LEU  44           HG       LEU  44  18.883  11.984  11.984
  371   1HD1  LEU  44          3HD1      LEU  44  16.212  11.197  11.197
  372   2HD1  LEU  44          2HD1      LEU  44  16.573  12.442  12.442
  373   3HD1  LEU  44          1HD1      LEU  44  16.777  12.785  12.785
  374   1HD2  LEU  44          3HD2      LEU  44  19.414  11.058  11.058
  375   2HD2  LEU  44          2HD2      LEU  44  19.616  12.720  12.720
  376   3HD2  LEU  44          1HD2      LEU  44  18.121  12.233  12.233
  377    H    GLU  45           H        GLU  45  19.402   7.757   7.757
  378    HA   GLU  45           HA       GLU  45  21.203   9.045   9.045
  379   1HB   GLU  45          2HB       GLU  45  21.234   7.007   7.007
  380   2HB   GLU  45          1HB       GLU  45  21.950   6.390   6.390
  381   1HG   GLU  45          2HG       GLU  45  22.715   9.093   9.093
  382   2HG   GLU  45          1HG       GLU  45  23.523   7.617   7.617
  383    H    GLU  46           H        GLU  46  18.727   6.591   6.591
  384    HA   GLU  46           HA       GLU  46  17.641   5.222   5.222
  385   1HB   GLU  46          2HB       GLU  46  17.443   7.636   7.636
  386   2HB   GLU  46          1HB       GLU  46  18.764   7.259   7.259
  387   1HG   GLU  46          2HG       GLU  46  17.375   5.277   5.277
  388   2HG   GLU  46          1HG       GLU  46  16.032   5.968   5.968
  389    H    ILE  47           H        ILE  47  20.780   5.089   5.089
  390    HA   ILE  47           HA       ILE  47  21.528   3.738   3.738
  391    HB   ILE  47           HB       ILE  47  22.800   5.622   5.622
  392   1HG1  ILE  47          2HG1      ILE  47  23.737   4.303   4.303
  393   2HG1  ILE  47          1HG1      ILE  47  24.960   4.632   4.632
  394   1HG2  ILE  47          2HG2      ILE  47  23.467   3.203   3.203
  395   2HG2  ILE  47          1HG2      ILE  47  24.335   4.739   4.739
  396   3HG2  ILE  47          3HG2      ILE  47  22.637   4.664   4.664
  397   1HD1  ILE  47          2HD1      ILE  47  24.121   2.321   2.321
  398   2HD1  ILE  47          1HD1      ILE  47  23.600   2.050   2.050
  399   3HD1  ILE  47          3HD1      ILE  47  25.300   2.357   2.357
  400    H    LYS  48           H        LYS  48  21.245   3.211   3.211
  401    HA   LYS  48           HA       LYS  48  22.416   0.678   0.678
  402   1HB   LYS  48          2HB       LYS  48  20.250   2.282   2.282
  403   2HB   LYS  48          1HB       LYS  48  20.292   0.568   0.568
  404   1HG   LYS  48          2HG       LYS  48  21.691   1.582   1.582
  405   2HG   LYS  48          1HG       LYS  48  22.817   0.931   0.931
  406   1HD   LYS  48          2HD       LYS  48  23.629   3.101   3.101
  407   2HD   LYS  48          1HD       LYS  48  22.547   3.296   3.296
  408   1HE   LYS  48          2HE       LYS  48  21.695   5.009   5.009
  409   2HE   LYS  48          1HE       LYS  48  20.799   3.691   3.691
  410   1HZ   LYS  48          1HZ       LYS  48  22.690   3.394   3.394
  411   2HZ   LYS  48          3HZ       LYS  48  23.465   4.729   4.729
  412   3HZ   LYS  48          2HZ       LYS  48  22.009   4.942   4.942
  413    H    GLU  49           H        GLU  49  19.596   1.528   1.528
  414    HA   GLU  49           HA       GLU  49  19.102  -1.349  -1.349
  415   1HB   GLU  49          2HB       GLU  49  16.600  -0.745  -0.745
  416   2HB   GLU  49          1HB       GLU  49  17.571  -0.972  -0.972
  417   1HG   GLU  49          2HG       GLU  49  17.790   1.766   1.766
  418   2HG   GLU  49          1HG       GLU  49  16.088   1.329   1.329
  419    H    GLN  50           H        GLN  50  20.035  -0.670  -0.670
  420    HA   GLN  50           HA       GLN  50  18.916   1.456   1.456
  421   1HB   GLN  50          2HB       GLN  50  20.554  -1.024  -1.024
  422   2HB   GLN  50          1HB       GLN  50  20.138   0.130   0.130
  423   1HG   GLN  50          2HG       GLN  50  21.209   1.941   1.941
  424   2HG   GLN  50          1HG       GLN  50  21.588   0.820   0.820
  425   1HE2  GLN  50          2HE2      GLN  50  23.712   0.555   0.555
  426   2HE2  GLN  50          1HE2      GLN  50  22.184   1.294   1.294
  427    H    GLU  51           H        GLU  51  18.763  -1.991  -1.991
  428    HA   GLU  51           HA       GLU  51  16.711  -1.924  -1.924
  429   1HB   GLU  51          2HB       GLU  51  17.951  -3.930  -3.930
  430   2HB   GLU  51          1HB       GLU  51  17.164  -3.955  -3.955
  431   1HG   GLU  51          2HG       GLU  51  14.946  -3.952  -3.952
  432   2HG   GLU  51          1HG       GLU  51  15.973  -4.503  -4.503
  433    H    VAL  52           H        VAL  52  16.231  -2.001  -2.001
  434    HA   VAL  52           HA       VAL  52  13.318  -1.997  -1.997
  435    HB   VAL  52           HB       VAL  52  14.586  -1.191  -1.191
  436   1HG1  VAL  52          2HG1      VAL  52  12.261  -2.689  -2.689
  437   2HG1  VAL  52          1HG1      VAL  52  12.978  -3.353  -3.353
  438   3HG1  VAL  52          3HG1      VAL  52  12.404  -1.687  -1.687
  439   1HG2  VAL  52          1HG2      VAL  52  15.274  -3.681  -3.681
  440   2HG2  VAL  52          3HG2      VAL  52  16.217  -2.801  -2.801
  441   3HG2  VAL  52          2HG2      VAL  52  14.903  -3.860  -3.860
  442    H    VAL  53           H        VAL  53  15.868   0.357   0.357
  443    HA   VAL  53           HA       VAL  53  14.170   2.603   2.603
  444    HB   VAL  53           HB       VAL  53  16.953   2.092   2.092
  445   1HG1  VAL  53          1HG1      VAL  53  16.133   3.825   3.825
  446   2HG1  VAL  53          3HG1      VAL  53  15.672   4.835   4.835
  447   3HG1  VAL  53          2HG1      VAL  53  17.370   4.451   4.451
  448   1HG2  VAL  53          3HG2      VAL  53  16.082   2.421   2.421
  449   2HG2  VAL  53          2HG2      VAL  53  17.512   3.339   3.339
  450   3HG2  VAL  53          1HG2      VAL  53  15.936   4.126   4.126
  451    H    ASP  54           H        ASP  54  15.091   0.852   0.852
  452    HA   ASP  54           HA       ASP  54  14.162   2.705   2.705
  453   1HB   ASP  54          2HB       ASP  54  15.503   0.975   0.975
  454   2HB   ASP  54          1HB       ASP  54  14.779  -0.222  -0.222
  455    H    LYS  55           H        LYS  55  12.681  -0.095  -0.095
  456    HA   LYS  55           HA       LYS  55  10.035   0.320   0.320
  457   1HB   LYS  55          2HB       LYS  55  11.322  -1.274  -1.274
  458   2HB   LYS  55          1HB       LYS  55   9.561  -1.196  -1.196
  459   1HG   LYS  55          2HG       LYS  55   9.782  -2.939  -2.939
  460   2HG   LYS  55          1HG       LYS  55  10.185  -1.681  -1.681
  461   1HD   LYS  55          2HD       LYS  55  12.587  -1.946  -1.946
  462   2HD   LYS  55          1HD       LYS  55  12.160  -3.256  -3.256
  463   1HE   LYS  55          2HE       LYS  55  11.001  -4.347  -4.347
  464   2HE   LYS  55          1HE       LYS  55  11.956  -3.204  -3.204
  465   1HZ   LYS  55          3HZ       LYS  55  13.322  -4.615  -4.615
  466   2HZ   LYS  55          2HZ       LYS  55  12.940  -5.519  -5.519
  467   3HZ   LYS  55          1HZ       LYS  55  13.910  -4.131  -4.131
  468    H    VAL  56           H        VAL  56  11.765   1.409   1.409
  469    HA   VAL  56           HA       VAL  56   9.707   2.404   2.404
  470    HB   VAL  56           HB       VAL  56  12.530   3.236   3.236
  471   1HG1  VAL  56          1HG1      VAL  56  10.482   4.765   4.765
  472   2HG1  VAL  56          3HG1      VAL  56  12.027   4.566   4.566
  473   3HG1  VAL  56          2HG1      VAL  56  11.969   5.325   5.325
  474   1HG2  VAL  56          2HG2      VAL  56  11.333   1.310   1.310
  475   2HG2  VAL  56          1HG2      VAL  56  13.025   1.806   1.806
  476   3HG2  VAL  56          3HG2      VAL  56  11.864   2.588   2.588
  477    H    MET  57           H        MET  57  11.331   3.932   3.932
  478    HA   MET  57           HA       MET  57   9.695   6.351   6.351
  479   1HB   MET  57          2HB       MET  57  11.519   5.242   5.242
  480   2HB   MET  57          1HB       MET  57  10.984   6.917   6.917
  481   1HG   MET  57          2HG       MET  57  12.577   5.445   5.445
  482   2HG   MET  57          1HG       MET  57  13.289   6.519   6.519
  483   1HE   MET  57          3HE       MET  57  11.924   8.706   8.706
  484   2HE   MET  57          2HE       MET  57  11.858   9.938   9.938
  485   3HE   MET  57          1HE       MET  57  13.394   9.168   9.168
  486    H    GLU  58           H        GLU  58   9.601   3.266   3.266
  487    HA   GLU  58           HA       GLU  58   7.885   3.907   3.907
  488   1HB   GLU  58          2HB       GLU  58   7.804   1.620   1.620
  489   2HB   GLU  58          1HB       GLU  58   9.093   1.685   1.685
  490   1HG   GLU  58          2HG       GLU  58   7.606   0.091   0.091
  491   2HG   GLU  58          1HG       GLU  58   7.168   1.566   1.566
  492    H    THR  59           H        THR  59   7.109   3.301   3.301
  493    HA   THR  59           HA       THR  59   4.214   3.588   3.588
  494    HB   THR  59           HB       THR  59   5.979   3.007   3.007
  495    HG1  THR  59           HG1      THR  59   5.596   1.250   1.250
  496   1HG2  THR  59          1HG2      THR  59   3.172   3.955   3.955
  497   2HG2  THR  59          3HG2      THR  59   3.472   2.545   2.545
  498   3HG2  THR  59          2HG2      THR  59   4.355   4.046   4.046
  499    H    LEU  60           H        LEU  60   6.881   5.358   5.358
  500    HA   LEU  60           HA       LEU  60   5.213   7.524   7.524
  501   1HB   LEU  60          2HB       LEU  60   7.576   6.576   6.576
  502   2HB   LEU  60          1HB       LEU  60   8.156   7.705   7.705
  503    HG   LEU  60           HG       LEU  60   6.152   8.807   8.807
  504   1HD1  LEU  60          2HD1      LEU  60   8.343   7.295   7.295
  505   2HD1  LEU  60          1HD1      LEU  60   8.697   9.000   9.000
  506   3HD1  LEU  60          3HD1      LEU  60   7.204   8.297   8.297
  507   1HD2  LEU  60          3HD2      LEU  60   8.549   9.621   9.621
  508   2HD2  LEU  60          2HD2      LEU  60   7.047  10.496  10.496
  509   3HD2  LEU  60          1HD2      LEU  60   8.302  10.472  10.472
  510    H    ASP  61           H        ASP  61   6.546   6.745   6.745
  511    HA   ASP  61           HA       ASP  61   6.675   9.528   9.528
  512   1HB   ASP  61          2HB       ASP  61   8.295   7.648   7.648
  513   2HB   ASP  61          1HB       ASP  61   6.995   6.916   6.916
  514    H    SER  62           H        SER  62   4.217   7.324   7.324
  515    HA   SER  62           HA       SER  62   2.675   7.177   7.177
  516   1HB   SER  62          2HB       SER  62   0.793   7.707   7.707
  517   2HB   SER  62          1HB       SER  62   1.656   6.173   6.173
  518    HG   SER  62           HG       SER  62   2.177   8.442   8.442
  519    H    ASP  63           H        ASP  63   3.475   9.932   9.932
  520    HA   ASP  63           HA       ASP  63   2.825  12.206  12.206
  521   1HB   ASP  63          2HB       ASP  63   4.339  11.382  11.382
  522   2HB   ASP  63          1HB       ASP  63   2.903  11.792  11.792
  523    H    GLY  64           H        GLY  64   0.588  12.125  12.125
  524   1HA   GLY  64          2HA       GLY  64  -1.485  13.261  13.261
  525   2HA   GLY  64          1HA       GLY  64  -1.352  12.294  12.294
  526    H    ASP  65           H        ASP  65  -1.929  10.062  10.062
  527    HA   ASP  65           HA       ASP  65  -3.956   9.452   9.452
  528   1HB   ASP  65          2HB       ASP  65  -2.942   8.392   8.392
  529   2HB   ASP  65          1HB       ASP  65  -3.724   7.224   7.224
  530    H    GLY  66           H        GLY  66  -1.358   9.668   9.668
  531   1HA   GLY  66          2HA       GLY  66  -1.225   7.024   7.024
  532   2HA   GLY  66          1HA       GLY  66   0.233   7.467   7.467
  533    H    GLU  67           H        GLU  67  -2.041   9.034   9.034
  534    HA   GLU  67           HA       GLU  67   0.128  10.688  10.688
  535   1HB   GLU  67          2HB       GLU  67  -1.871  11.515  11.515
  536   2HB   GLU  67          1HB       GLU  67  -1.984  11.751  11.751
  537   1HG   GLU  67          2HG       GLU  67  -3.585  10.082  10.082
  538   2HG   GLU  67          1HG       GLU  67  -3.077   9.233   9.233
  539    H    CYS  68           H        CYS  68  -0.058  10.823  10.823
  540    HA   CYS  68           HA       CYS  68   0.348   8.024   8.024
  541   1HB   CYS  68          2HB       CYS  68   2.231   9.441   9.441
  542   2HB   CYS  68          1HB       CYS  68   1.265  10.753  10.753
  543    HG   CYS  68           HG       CYS  68   1.302   8.176   8.176
  544    H    ASP  69           H        ASP  69  -2.241   8.192   8.192
  545    HA   ASP  69           HA       ASP  69  -3.318   9.373   9.373
  546   1HB   ASP  69          2HB       ASP  69  -4.452   8.037   8.037
  547   2HB   ASP  69          1HB       ASP  69  -5.448   8.251   8.251
  548    H    PHE  70           H        PHE  70  -4.763   7.883   7.883
  549    HA   PHE  70           HA       PHE  70  -3.639   6.137   6.137
  550   1HB   PHE  70          2HB       PHE  70  -6.244   5.484   5.484
  551   2HB   PHE  70          1HB       PHE  70  -5.786   5.055   5.055
  552    HD1  PHE  70           HD1      PHE  70  -4.418   7.380   7.380
  553    HD2  PHE  70           HD2      PHE  70  -7.936   7.130   7.130
  554    HE1  PHE  70           HE1      PHE  70  -5.090   9.636   9.636
  555    HE2  PHE  70           HE2      PHE  70  -8.601   9.395   9.395
  556    HZ   PHE  70           HZ       PHE  70  -7.147  10.648  10.648
  557    H    GLN  71           H        GLN  71  -5.339   4.401   4.401
  558    HA   GLN  71           HA       GLN  71  -3.795   2.027   2.027
  559   1HB   GLN  71          2HB       GLN  71  -4.903   1.402   1.402
  560   2HB   GLN  71          1HB       GLN  71  -6.040   2.351   2.351
  561   1HG   GLN  71          2HG       GLN  71  -6.269   3.493   3.493
  562   2HG   GLN  71          1HG       GLN  71  -4.862   4.357   4.357
  563   1HE2  GLN  71          2HE2      GLN  71  -3.676   3.452   3.452
  564   2HE2  GLN  71          1HE2      GLN  71  -4.584   4.648   4.648
  565    H    GLU  72           H        GLU  72  -2.989   5.005   5.005
  566    HA   GLU  72           HA       GLU  72  -0.990   3.818   3.818
  567   1HB   GLU  72          2HB       GLU  72  -1.092   6.723   6.723
  568   2HB   GLU  72          1HB       GLU  72  -0.858   5.967   5.967
  569   1HG   GLU  72          2HG       GLU  72  -3.371   5.105   5.105
  570   2HG   GLU  72          1HG       GLU  72  -3.365   6.674   6.674
  571    H    PHE  73           H        PHE  73  -0.848   6.030   6.030
  572    HA   PHE  73           HA       PHE  73   1.959   5.998   5.998
  573   1HB   PHE  73          2HB       PHE  73   0.810   7.498   7.498
  574   2HB   PHE  73          1HB       PHE  73  -0.415   6.314   6.314
  575    HD1  PHE  73           HD2      PHE  73   3.099   5.291   5.291
  576    HD2  PHE  73           HD1      PHE  73  -0.138   6.993   6.993
  577    HE1  PHE  73           HE2      PHE  73   4.256   4.725   4.725
  578    HE2  PHE  73           HE1      PHE  73   1.028   6.451   6.451
  579    HZ   PHE  73           HZ       PHE  73   3.227   5.308   5.308
  580    H    MET  74           H        MET  74  -0.429   3.814   3.814
  581    HA   MET  74           HA       MET  74   1.538   2.051   2.051
  582   1HB   MET  74          2HB       MET  74  -1.400   1.896   1.896
  583   2HB   MET  74          1HB       MET  74  -0.562   0.571   0.571
  584   1HG   MET  74          2HG       MET  74  -0.305   1.730   1.730
  585   2HG   MET  74          1HG       MET  74   0.004   3.242   3.242
  586   1HE   MET  74          1HE       MET  74  -1.578   1.815   1.815
  587   2HE   MET  74          3HE       MET  74  -1.753   3.557   3.557
  588   3HE   MET  74          2HE       MET  74  -3.179   2.525   2.525
  589    H    ALA  75           H        ALA  75   0.023   2.243   2.243
  590    HA   ALA  75           HA       ALA  75   0.822  -0.392  -0.392
  591   1HB   ALA  75          1HB       ALA  75  -0.061   2.222   2.222
  592   2HB   ALA  75          3HB       ALA  75   0.536   0.947   0.947
  593   3HB   ALA  75          2HB       ALA  75  -0.876   0.656   0.656
  594    H    PHE  76           H        PHE  76   1.957   2.665   2.665
  595    HA   PHE  76           HA       PHE  76   4.365   1.809   1.809
  596   1HB   PHE  76          2HB       PHE  76   3.288   4.026   4.026
  597   2HB   PHE  76          1HB       PHE  76   3.764   4.448   4.448
  598    HD1  PHE  76           HD1      PHE  76   5.375   2.881   2.881
  599    HD2  PHE  76           HD2      PHE  76   5.662   5.775   5.775
  600    HE1  PHE  76           HE1      PHE  76   7.599   3.589   3.589
  601    HE2  PHE  76           HE2      PHE  76   7.887   6.481   6.481
  602    HZ   PHE  76           HZ       PHE  76   8.854   5.388   5.388
  603    H    VAL  77           H        VAL  77   4.014   3.336   3.336
  604    HA   VAL  77           HA       VAL  77   6.639   3.116   3.116
  605    HB   VAL  77           HB       VAL  77   4.519   3.917   3.917
  606   1HG1  VAL  77          3HG1      VAL  77   3.303   1.751   1.751
  607   2HG1  VAL  77          2HG1      VAL  77   4.431   0.989   0.989
  608   3HG1  VAL  77          1HG1      VAL  77   3.357   2.268   2.268
  609   1HG2  VAL  77          3HG2      VAL  77   6.979   2.806   2.806
  610   2HG2  VAL  77          2HG2      VAL  77   6.010   4.103   4.103
  611   3HG2  VAL  77          1HG2      VAL  77   5.695   2.427   2.427
  612    H    ALA  78           H        ALA  78   4.201   0.592   0.592
  613    HA   ALA  78           HA       ALA  78   5.853  -1.570  -1.570
  614   1HB   ALA  78          1HB       ALA  78   3.285  -1.320  -1.320
  615   2HB   ALA  78          3HB       ALA  78   3.553  -1.793  -1.793
  616   3HB   ALA  78          2HB       ALA  78   3.992  -2.896  -2.896
  617    H    MET  79           H        MET  79   4.738  -0.791  -0.791
  618    HA   MET  79           HA       MET  79   6.187  -2.715  -2.715
  619   1HB   MET  79          2HB       MET  79   4.645  -0.540  -0.540
  620   2HB   MET  79          1HB       MET  79   6.224   0.031   0.031
  621   1HG   MET  79          2HG       MET  79   6.459  -2.138  -2.138
  622   2HG   MET  79          1HG       MET  79   4.768  -2.462  -2.462
  623   1HE   MET  79          1HE       MET  79   3.140  -0.248  -0.248
  624   2HE   MET  79          3HE       MET  79   2.750   0.189   0.189
  625   3HE   MET  79          2HE       MET  79   2.771  -1.503  -1.503
  626    H    ILE  80           H        ILE  80   7.305   0.288   0.288
  627    HA   ILE  80           HA       ILE  80  10.017   0.109   0.109
  628    HB   ILE  80           HB       ILE  80   8.873   1.709   1.709
  629   1HG1  ILE  80          2HG1      ILE  80   7.542   1.862   1.862
  630   2HG1  ILE  80          1HG1      ILE  80   8.261   3.390   3.390
  631   1HG2  ILE  80          3HG2      ILE  80  11.431   1.611   1.611
  632   2HG2  ILE  80          2HG2      ILE  80  10.704   3.212   3.212
  633   3HG2  ILE  80          1HG2      ILE  80  10.976   2.496   2.496
  634   1HD1  ILE  80          1HD1      ILE  80  10.047   1.797   1.797
  635   2HD1  ILE  80          3HD1      ILE  80   8.549   2.210   2.210
  636   3HD1  ILE  80          2HD1      ILE  80   9.575   3.486   3.486
  637    H    THR  81           H        THR  81   8.592  -0.036  -0.036
  638    HA   THR  81           HA       THR  81  10.705  -0.885  -0.885
  639    HB   THR  81           HB       THR  81   7.794  -1.698  -1.698
  640    HG1  THR  81           HG1      THR  81   8.863   0.492   0.492
  641   1HG2  THR  81          2HG2      THR  81   9.792  -2.260  -2.260
  642   2HG2  THR  81          1HG2      THR  81   8.053  -2.549  -2.549
  643   3HG2  THR  81          3HG2      THR  81   9.044  -3.469  -3.469
  644    H    THR  82           H        THR  82   9.040  -2.716  -2.716
  645    HA   THR  82           HA       THR  82  10.009  -5.337  -5.337
  646    HB   THR  82           HB       THR  82   9.077  -5.987  -5.987
  647    HG1  THR  82           HG1      THR  82   9.738  -3.381  -3.381
  648   1HG2  THR  82          1HG2      THR  82   7.668  -4.269  -4.269
  649   2HG2  THR  82          3HG2      THR  82   7.052  -3.996  -3.996
  650   3HG2  THR  82          2HG2      THR  82   7.040  -5.620  -5.620
  651    H    ALA  83           H        ALA  83  11.674  -2.654  -2.654
  652    HA   ALA  83           HA       ALA  83  13.566  -4.014  -4.014
  653   1HB   ALA  83          3HB       ALA  83  12.724  -1.502  -1.502
  654   2HB   ALA  83          2HB       ALA  83  14.057  -1.380  -1.380
  655   3HB   ALA  83          1HB       ALA  83  14.371  -1.854  -1.854
  656    H    CYS  84           H        CYS  84  13.172  -3.655  -3.655
  657    HA   CYS  84           HA       CYS  84  15.789  -3.480  -3.480
  658   1HB   CYS  84          2HB       CYS  84  13.714  -3.463  -3.463
  659   2HB   CYS  84          1HB       CYS  84  13.445  -5.162  -5.162
  660    HG   CYS  84           HG       CYS  84  15.784  -4.129  -4.129
  661    H    HIS  85           H        HIS  85  14.556  -6.640  -6.640
  662    HA   HIS  85           HA       HIS  85  15.962  -8.153  -8.153
  663   1HB   HIS  85          2HB       HIS  85  17.731  -6.845  -6.845
  664   2HB   HIS  85          1HB       HIS  85  17.406  -8.091  -8.091
  665    HD1  HIS  85           HD1      HIS  85  17.586 -10.658 -10.658
  666    HD2  HIS  85           HD2      HIS  85  19.595  -7.637  -7.637
  667    HE1  HIS  85           HE1      HIS  85  19.303 -11.807 -11.807
  668    H    GLU  86           H        GLU  86  15.874  -8.556  -8.556
  669    HA   GLU  86           HA       GLU  86  14.935 -11.259 -11.259
  670   1HB   GLU  86          2HB       GLU  86  15.117  -9.041  -9.041
  671   2HB   GLU  86          1HB       GLU  86  14.260 -10.520 -10.520
  672   1HG   GLU  86          2HG       GLU  86  16.270 -11.840 -11.840
  673   2HG   GLU  86          1HG       GLU  86  17.127 -10.335 -10.335
  674    H    PHE  87           H        PHE  87  12.722 -11.592 -11.592
  675    HA   PHE  87           HA       PHE  87  10.384 -11.792 -11.792
  676   1HB   PHE  87          2HB       PHE  87   9.331  -9.944  -9.944
  677   2HB   PHE  87          1HB       PHE  87  10.936 -10.039 -10.039
  678    HD1  PHE  87           HD1      PHE  87  12.774  -8.556  -8.556
  679    HD2  PHE  87           HD2      PHE  87   8.606  -7.986  -7.986
  680    HE1  PHE  87           HE1      PHE  87  13.293  -6.267  -6.267
  681    HE2  PHE  87           HE2      PHE  87   9.190  -5.677  -5.677
  682    HZ   PHE  87           HZ       PHE  87  11.501  -4.834  -4.834
  683    H    PHE  88           H        PHE  88   8.733  -9.583  -9.583
  684    HA   PHE  88           HA       PHE  88   7.650  -9.231  -9.231
  685   1HB   PHE  88          2HB       PHE  88  10.019  -7.529  -7.529
  686   2HB   PHE  88          1HB       PHE  88   9.258  -7.446  -7.446
  687    HD1  PHE  88           HD2      PHE  88   7.067  -8.363  -8.363
  688    HD2  PHE  88           HD1      PHE  88   8.717  -5.043  -5.043
  689    HE1  PHE  88           HE2      PHE  88   5.324  -6.867  -6.867
  690    HE2  PHE  88           HE1      PHE  88   6.957  -3.562  -3.562
  691    HZ   PHE  88           HZ       PHE  88   5.260  -4.478  -4.478
  692    H    GLU  89           H        GLU  89  10.835  -8.652  -8.652
  693    HA   GLU  89           HA       GLU  89  12.075  -9.711  -9.711
  694   1HB   GLU  89          2HB       GLU  89  10.901 -11.733 -11.733
  695   2HB   GLU  89          1HB       GLU  89  10.313 -12.065 -12.065
  696   1HG   GLU  89          2HG       GLU  89  12.432 -12.457 -12.457
  697   2HG   GLU  89          1HG       GLU  89  13.208 -11.394 -11.394
  698    H    HIS  90           H        HIS  90  11.851  -9.823  -9.823
  699    HA   HIS  90           HA       HIS  90   9.483  -8.543  -8.543
  700   1HB   HIS  90          2HB       HIS  90  11.882  -9.910  -9.910
  701   2HB   HIS  90          1HB       HIS  90  10.716  -8.935  -8.935
  702    HD1  HIS  90           HD1      HIS  90  13.077  -7.487  -7.487
  703    HD2  HIS  90           HD2      HIS  90  11.262  -7.309  -7.309
  704    HE1  HIS  90           HE1      HIS  90  14.018  -5.438  -5.438
  705    H    GLU  91           H        GLU  91  10.452 -11.863 -11.863
  706    HA   GLU  91           HA       GLU  91   7.899 -12.978 -12.978
  707   1HB   GLU  91          2HB       GLU  91   7.973 -12.271 -12.271
  708   2HB   GLU  91          1HB       GLU  91   9.675 -12.703 -12.703
  709   1HG   GLU  91          2HG       GLU  91   9.047 -15.104 -15.104
  710   2HG   GLU  91          1HG       GLU  91   7.350 -14.621 -14.621
  711   1H    MET   0          1H        MET   0   5.547   9.799   9.799
  712   2H    MET   0          3H        MET   0   6.540  10.468  10.468
  713   3H    MET   0          2H        MET   0   5.713  11.486  11.486
  714    HA   MET   0           HA       MET   0   7.073  10.857  10.857
  715   1HB   MET   0          2HB       MET   0   7.920  12.082  12.082
  716   2HB   MET   0          1HB       MET   0   9.211  10.934  10.934
  717   1HG   MET   0          2HG       MET   0   9.177  11.836  11.836
  718   2HG   MET   0          1HG       MET   0   8.149  13.135  13.135
  719   1HE   MET   0          2HE       MET   0  11.032  10.995  10.995
  720   2HE   MET   0          1HE       MET   0  11.974  11.926  11.926
  721   3HE   MET   0          3HE       MET   0  12.332  12.040  12.040
  722    H    SER   1           H        SER   1   8.120   9.014   9.014
  723    HA   SER   1           HA       SER   1   9.480   7.020   7.020
  724   1HB   SER   1          2HB       SER   1   9.509   6.052   6.052
  725   2HB   SER   1          1HB       SER   1  10.645   7.263   7.263
  726    HG   SER   1           HG       SER   1   9.800   8.534   8.534
  727    H    GLU   2           H        GLU   2   6.879   6.826   6.826
  728    HA   GLU   2           HA       GLU   2   6.000   4.234   4.234
  729   1HB   GLU   2          2HB       GLU   2   4.323   6.764   6.764
  730   2HB   GLU   2          1HB       GLU   2   3.755   5.156   5.156
  731   1HG   GLU   2          2HG       GLU   2   4.513   5.566   5.566
  732   2HG   GLU   2          1HG       GLU   2   6.148   5.492   5.492
  733    H    LEU   3           H        LEU   3   5.605   6.851   6.851
  734    HA   LEU   3           HA       LEU   3   3.639   5.753   5.753
  735   1HB   LEU   3          2HB       LEU   3   4.345   7.994   7.994
  736   2HB   LEU   3          1HB       LEU   3   6.047   7.553   7.553
  737    HG   LEU   3           HG       LEU   3   4.970   6.143   6.143
  738   1HD1  LEU   3          1HD1      LEU   3   2.948   7.694   7.694
  739   2HD1  LEU   3          3HD1      LEU   3   4.006   9.000   9.000
  740   3HD1  LEU   3          2HD1      LEU   3   3.637   7.670   7.670
  741   1HD2  LEU   3          3HD2      LEU   3   7.158   7.488   7.488
  742   2HD2  LEU   3          2HD2      LEU   3   6.425   7.517   7.517
  743   3HD2  LEU   3          1HD2      LEU   3   6.216   8.883   8.883
  744    H    GLU   4           H        GLU   4   6.920   5.938   5.938
  745    HA   GLU   4           HA       GLU   4   6.790   3.605   3.605
  746   1HB   GLU   4          2HB       GLU   4   8.923   5.341   5.341
  747   2HB   GLU   4          1HB       GLU   4   9.395   3.898   3.898
  748   1HG   GLU   4          2HG       GLU   4   7.525   6.017   6.017
  749   2HG   GLU   4          1HG       GLU   4   9.260   5.990   5.990
  750    H    LYS   5           H        LYS   5   8.198   4.080   4.080
  751    HA   LYS   5           HA       LYS   5   9.251   1.537   1.537
  752   1HB   LYS   5          2HB       LYS   5   7.656   3.424   3.424
  753   2HB   LYS   5          1HB       LYS   5   8.564   2.046   2.046
  754   1HG   LYS   5          2HG       LYS   5  10.123   3.757   3.757
  755   2HG   LYS   5          1HG       LYS   5   9.606   4.576   4.576
  756   1HD   LYS   5          2HD       LYS   5  10.477   1.977   1.977
  757   2HD   LYS   5          1HD       LYS   5  11.705   2.641   2.641
  758   1HE   LYS   5          2HE       LYS   5  11.948   4.620   4.620
  759   2HE   LYS   5          1HE       LYS   5  10.565   4.142   4.142
  760   1HZ   LYS   5          1HZ       LYS   5  12.806   2.274   2.274
  761   2HZ   LYS   5          3HZ       LYS   5  12.946   3.505   3.505
  762   3HZ   LYS   5          2HZ       LYS   5  11.698   2.359   2.359
  763    H    ALA   6           H        ALA   6   5.900   2.508   2.508
  764    HA   ALA   6           HA       ALA   6   4.618   0.229   0.229
  765   1HB   ALA   6          3HB       ALA   6   3.620   2.423   2.423
  766   2HB   ALA   6          2HB       ALA   6   3.788   1.739   1.739
  767   3HB   ALA   6          1HB       ALA   6   2.733   0.964   0.964
  768    H    VAL   7           H        VAL   7   5.919   0.910   0.910
  769    HA   VAL   7           HA       VAL   7   5.297  -1.546  -1.546
  770    HB   VAL   7           HB       VAL   7   6.694   0.876   0.876
  771   1HG1  VAL   7          3HG1      VAL   7   8.490  -1.533  -1.533
  772   2HG1  VAL   7          2HG1      VAL   7   8.729  -0.034  -0.034
  773   3HG1  VAL   7          1HG1      VAL   7   8.838  -0.032  -0.032
  774   1HG2  VAL   7          2HG2      VAL   7   5.109  -0.515  -0.515
  775   2HG2  VAL   7          1HG2      VAL   7   6.422   0.343   0.343
  776   3HG2  VAL   7          3HG2      VAL   7   6.554  -1.389  -1.389
  777    H    VAL   8           H        VAL   8   8.242  -0.530  -0.530
  778    HA   VAL   8           HA       VAL   8   9.708  -2.927  -2.927
  779    HB   VAL   8           HB       VAL   8   9.368  -0.609  -0.609
  780   1HG1  VAL   8          2HG1      VAL   8  10.639  -3.203  -3.203
  781   2HG1  VAL   8          1HG1      VAL   8  11.579  -1.760  -1.760
  782   3HG1  VAL   8          3HG1      VAL   8   9.968  -1.970  -1.970
  783   1HG2  VAL   8          1HG2      VAL   8  10.875  -1.136  -1.136
  784   2HG2  VAL   8          3HG2      VAL   8  11.181   0.167   0.167
  785   3HG2  VAL   8          2HG2      VAL   8  12.032  -1.368  -1.368
  786    H    ALA   9           H        ALA   9   6.790  -2.144  -2.144
  787    HA   ALA   9           HA       ALA   9   6.973  -4.426  -4.426
  788   1HB   ALA   9          2HB       ALA   9   5.424  -1.960  -1.960
  789   2HB   ALA   9          1HB       ALA   9   4.418  -3.329  -3.329
  790   3HB   ALA   9          3HB       ALA   9   5.778  -2.841  -2.841
  791    H    LEU  10           H        LEU  10   4.534  -3.337  -3.337
  792    HA   LEU  10           HA       LEU  10   3.021  -5.651  -5.651
  793   1HB   LEU  10          2HB       LEU  10   4.161  -3.931  -3.931
  794   2HB   LEU  10          1HB       LEU  10   2.702  -4.910  -4.910
  795    HG   LEU  10           HG       LEU  10   3.153  -2.462  -2.462
  796   1HD1  LEU  10          3HD1      LEU  10   2.009  -2.929  -2.929
  797   2HD1  LEU  10          2HD1      LEU  10   0.720  -2.444  -2.444
  798   3HD1  LEU  10          1HD1      LEU  10   2.131  -1.407  -1.407
  799   1HD2  LEU  10          3HD2      LEU  10   1.301  -4.748  -4.748
  800   2HD2  LEU  10          2HD2      LEU  10   1.813  -3.560  -3.560
  801   3HD2  LEU  10          1HD2      LEU  10   0.529  -3.164  -3.164
  802    H    ILE  11           H        ILE  11   6.013  -4.820  -4.820
  803    HA   ILE  11           HA       ILE  11   6.412  -7.023  -7.023
  804    HB   ILE  11           HB       ILE  11   8.799  -6.512  -6.512
  805   1HG1  ILE  11          2HG1      ILE  11   9.149  -4.520  -4.520
  806   2HG1  ILE  11          1HG1      ILE  11   7.763  -5.241  -5.241
  807   1HG2  ILE  11          3HG2      ILE  11   6.782  -4.340  -4.340
  808   2HG2  ILE  11          2HG2      ILE  11   8.487  -3.896  -3.896
  809   3HG2  ILE  11          1HG2      ILE  11   7.903  -4.980  -4.980
  810   1HD1  ILE  11          3HD1      ILE  11   9.388  -7.412  -7.412
  811   2HD1  ILE  11          2HD1      ILE  11  10.519  -6.175  -6.175
  812   3HD1  ILE  11          1HD1      ILE  11   9.211  -6.711  -6.711
  813    H    ASP  12           H        ASP  12   7.181  -6.793  -6.793
  814    HA   ASP  12           HA       ASP  12   8.285  -9.393  -9.393
  815   1HB   ASP  12          2HB       ASP  12   7.575  -7.120  -7.120
  816   2HB   ASP  12          1HB       ASP  12   6.576  -8.414  -8.414
  817    H    VAL  13           H        VAL  13   5.021  -8.115  -8.115
  818    HA   VAL  13           HA       VAL  13   3.694 -10.617 -10.617
  819    HB   VAL  13           HB       VAL  13   2.372  -8.369  -8.369
  820   1HG1  VAL  13          3HG1      VAL  13   1.629 -10.610 -10.610
  821   2HG1  VAL  13          2HG1      VAL  13   1.134  -9.149  -9.149
  822   3HG1  VAL  13          1HG1      VAL  13   0.572  -9.450  -9.450
  823   1HG2  VAL  13          1HG2      VAL  13   3.562  -8.219  -8.219
  824   2HG2  VAL  13          3HG2      VAL  13   3.670  -7.031  -7.031
  825   3HG2  VAL  13          2HG2      VAL  13   2.149  -7.261  -7.261
  826    H    PHE  14           H        PHE  14   4.385  -8.836  -8.836
  827    HA   PHE  14           HA       PHE  14   3.048 -10.548 -10.548
  828   1HB   PHE  14          2HB       PHE  14   5.350  -8.688  -8.688
  829   2HB   PHE  14          1HB       PHE  14   5.600 -10.159 -10.159
  830    HD1  PHE  14           HD2      PHE  14   3.796 -11.071 -11.071
  831    HD2  PHE  14           HD1      PHE  14   3.625  -7.088  -7.088
  832    HE1  PHE  14           HE2      PHE  14   2.059 -10.462 -10.462
  833    HE2  PHE  14           HE1      PHE  14   1.908  -6.488  -6.488
  834    HZ   PHE  14           HZ       PHE  14   1.119  -8.171  -8.171
  835    H    HIS  15           H        HIS  15   6.297 -10.947 -10.947
  836    HA   HIS  15           HA       HIS  15   7.053 -13.422 -13.422
  837   1HB   HIS  15          2HB       HIS  15   8.527 -12.167 -12.167
  838   2HB   HIS  15          1HB       HIS  15   7.354 -12.160 -12.160
  839    HD1  HIS  15           HD1      HIS  15   9.441 -14.668 -14.668
  840    HD2  HIS  15           HD2      HIS  15   7.675 -14.259 -14.259
  841    HE1  HIS  15           HE1      HIS  15  10.180 -16.672 -16.672
  842    H    GLN  16           H        GLN  16   4.966 -12.732 -12.732
  843    HA   GLN  16           HA       GLN  16   4.377 -15.536 -15.536
  844   1HB   GLN  16          2HB       GLN  16   2.999 -12.945 -12.945
  845   2HB   GLN  16          1HB       GLN  16   2.677 -14.524 -14.524
  846   1HG   GLN  16          2HG       GLN  16   5.516 -14.039 -14.039
  847   2HG   GLN  16          1HG       GLN  16   4.688 -12.668 -12.668
  848   1HE2  GLN  16          2HE2      GLN  16   4.338 -16.372 -16.372
  849   2HE2  GLN  16          1HE2      GLN  16   4.730 -16.273 -16.273
  850    H    TYR  17           H        TYR  17   2.049 -12.983 -12.983
  851    HA   TYR  17           HA       TYR  17  -0.143 -14.335 -14.335
  852   1HB   TYR  17          2HB       TYR  17   1.260 -11.904 -11.904
  853   2HB   TYR  17          1HB       TYR  17  -0.009 -12.499 -12.499
  854    HD1  TYR  17           HD1      TYR  17   0.755 -11.428 -11.428
  855    HD2  TYR  17           HD2      TYR  17  -2.343 -12.421 -12.421
  856    HE1  TYR  17           HE1      TYR  17  -0.959 -10.537 -10.537
  857    HE2  TYR  17           HE2      TYR  17  -4.065 -11.560 -11.560
  858    HH   TYR  17           HH       TYR  17  -3.858 -11.254 -11.254
  859    H    SER  18           H        SER  18   2.152 -13.538 -13.538
  860    HA   SER  18           HA       SER  18   1.029 -15.696 -15.696
  861   1HB   SER  18          2HB       SER  18   3.031 -13.506 -13.506
  862   2HB   SER  18          1HB       SER  18   3.201 -14.865 -14.865
  863    HG   SER  18           HG       SER  18   0.953 -14.551 -14.551
  864    H    GLY  19           H        GLY  19   3.352 -15.640 -15.640
  865   1HA   GLY  19          2HA       GLY  19   4.702 -18.060 -18.060
  866   2HA   GLY  19          1HA       GLY  19   5.512 -16.927 -16.927
  867    H    ARG  20           H        ARG  20   2.212 -17.627 -17.627
  868    HA   ARG  20           HA       ARG  20   3.080 -19.453 -19.453
  869   1HB   ARG  20          2HB       ARG  20   1.500 -18.301 -18.301
  870   2HB   ARG  20          1HB       ARG  20   2.393 -17.039 -17.039
  871   1HG   ARG  20          2HG       ARG  20   0.598 -16.770 -16.770
  872   2HG   ARG  20          1HG       ARG  20  -0.265 -18.158 -18.158
  873   1HD   ARG  20          2HD       ARG  20   0.389 -15.678 -15.678
  874   2HD   ARG  20          1HD       ARG  20  -1.165 -15.941 -15.941
  875    HE   ARG  20           HE       ARG  20  -0.594 -18.293 -18.293
  876   1HH1  ARG  20          1HH2      ARG  20  -2.306 -15.415 -15.415
  877   2HH1  ARG  20          2HH2      ARG  20  -2.556 -15.444 -15.444
  878   1HH2  ARG  20          2HH1      ARG  20  -0.442 -18.142 -18.142
  879   2HH2  ARG  20          1HH1      ARG  20  -1.502 -16.989 -16.989
  880    H    GLU  21           H        GLU  21   1.683 -19.584 -19.584
  881    HA   GLU  21           HA       GLU  21  -0.356 -21.598 -21.598
  882   1HB   GLU  21          2HB       GLU  21  -1.313 -19.344 -19.344
  883   2HB   GLU  21          1HB       GLU  21  -0.650 -19.593 -19.593
  884   1HG   GLU  21          2HG       GLU  21  -2.014 -21.974 -21.974
  885   2HG   GLU  21          1HG       GLU  21  -3.077 -20.673 -20.673
  886    H    GLY  22           H        GLY  22   1.838 -20.412 -20.412
  887   1HA   GLY  22          2HA       GLY  22   2.909 -22.843 -22.843
  888   2HA   GLY  22          1HA       GLY  22   1.437 -22.701 -22.701
  889    H    ASP  23           H        ASP  23   1.219 -20.407 -20.407
  890    HA   ASP  23           HA       ASP  23   3.104 -20.000 -20.000
  891   1HB   ASP  23          2HB       ASP  23   0.843 -18.698 -18.698
  892   2HB   ASP  23          1HB       ASP  23   2.091 -17.463 -17.463
  893    H    LYS  24           H        LYS  24   4.566 -17.972 -17.972
  894    HA   LYS  24           HA       LYS  24   6.506 -18.011 -18.011
  895   1HB   LYS  24          2HB       LYS  24   6.376 -16.656 -16.656
  896   2HB   LYS  24          1HB       LYS  24   7.780 -16.589 -16.589
  897   1HG   LYS  24          2HG       LYS  24   8.067 -18.984 -18.984
  898   2HG   LYS  24          1HG       LYS  24   6.539 -19.180 -19.180
  899   1HD   LYS  24          2HD       LYS  24   7.454 -17.871 -17.871
  900   2HD   LYS  24          1HD       LYS  24   8.991 -17.733 -17.733
  901   1HE   LYS  24          2HE       LYS  24   9.515 -19.986 -19.986
  902   2HE   LYS  24          1HE       LYS  24   7.812 -20.466 -20.466
  903   1HZ   LYS  24          2HZ       LYS  24   8.955 -18.581 -18.581
  904   2HZ   LYS  24          1HZ       LYS  24   9.252 -20.243 -20.243
  905   3HZ   LYS  24          3HZ       LYS  24   7.658 -19.663 -19.663
  906    H    HIS  25           H        HIS  25   5.724 -15.100 -15.100
  907    HA   HIS  25           HA       HIS  25   4.692 -13.815 -13.815
  908   1HB   HIS  25          2HB       HIS  25   6.895 -12.808 -12.808
  909   2HB   HIS  25          1HB       HIS  25   6.195 -11.907 -11.907
  910    HD1  HIS  25           HD1      HIS  25   8.551 -14.684 -14.684
  911    HD2  HIS  25           HD2      HIS  25   6.776 -12.987 -12.987
  912    HE1  HIS  25           HE1      HIS  25   9.810 -15.591 -15.591
  913    H    LYS  26           H        LYS  26   2.885 -14.517 -14.517
  914    HA   LYS  26           HA       LYS  26   2.002 -11.972 -11.972
  915   1HB   LYS  26          2HB       LYS  26   2.462 -14.594 -14.594
  916   2HB   LYS  26          1HB       LYS  26   1.501 -13.273 -13.273
  917   1HG   LYS  26          2HG       LYS  26   3.478 -12.559 -12.559
  918   2HG   LYS  26          1HG       LYS  26   3.776 -11.950 -11.950
  919   1HD   LYS  26          2HD       LYS  26   4.531 -14.540 -14.540
  920   2HD   LYS  26          1HD       LYS  26   4.938 -14.307 -14.307
  921   1HE   LYS  26          2HE       LYS  26   6.205 -12.222 -12.222
  922   2HE   LYS  26          1HE       LYS  26   5.937 -12.677 -12.677
  923   1HZ   LYS  26          3HZ       LYS  26   6.961 -14.675 -14.675
  924   2HZ   LYS  26          2HZ       LYS  26   8.035 -13.548 -13.548
  925   3HZ   LYS  26          1HZ       LYS  26   7.154 -14.601 -14.601
  926    H    LEU  27           H        LEU  27   0.039 -11.823 -11.823
  927    HA   LEU  27           HA       LEU  27  -1.455 -14.274 -14.274
  928   1HB   LEU  27          2HB       LEU  27  -1.735 -11.310 -11.310
  929   2HB   LEU  27          1HB       LEU  27  -2.930 -12.480 -12.480
  930    HG   LEU  27           HG       LEU  27  -0.619 -13.667 -13.667
  931   1HD1  LEU  27          2HD1      LEU  27   0.560 -11.526 -11.526
  932   2HD1  LEU  27          1HD1      LEU  27  -0.219 -10.722 -10.722
  933   3HD1  LEU  27          3HD1      LEU  27   0.909 -12.048 -12.048
  934   1HD2  LEU  27          3HD2      LEU  27  -2.867 -12.311 -12.311
  935   2HD2  LEU  27          2HD2      LEU  27  -1.839 -13.524 -13.524
  936   3HD2  LEU  27          1HD2      LEU  27  -1.439 -11.812 -11.812
  937    H    LYS  28           H        LYS  28  -3.967 -14.005 -14.005
  938    HA   LYS  28           HA       LYS  28  -4.477 -13.036 -13.036
  939   1HB   LYS  28          2HB       LYS  28  -5.581 -15.480 -15.480
  940   2HB   LYS  28          1HB       LYS  28  -5.851 -15.046 -15.046
  941   1HG   LYS  28          2HG       LYS  28  -3.720 -15.653 -15.653
  942   2HG   LYS  28          1HG       LYS  28  -3.024 -15.283 -15.283
  943   1HD   LYS  28          2HD       LYS  28  -4.890 -17.617 -17.617
  944   2HD   LYS  28          1HD       LYS  28  -3.131 -17.750 -17.750
  945   1HE   LYS  28          2HE       LYS  28  -3.969 -16.354 -16.354
  946   2HE   LYS  28          1HE       LYS  28  -4.778 -17.931 -17.931
  947   1HZ   LYS  28          1HZ       LYS  28  -2.422 -18.672 -18.672
  948   2HZ   LYS  28          3HZ       LYS  28  -1.907 -17.319 -17.319
  949   3HZ   LYS  28          2HZ       LYS  28  -2.764 -18.564 -18.564
  950    H    LYS  29           H        LYS  29  -6.772 -12.418 -12.418
  951    HA   LYS  29           HA       LYS  29  -7.958 -10.630 -10.630
  952   1HB   LYS  29          2HB       LYS  29  -9.344 -12.793 -12.793
  953   2HB   LYS  29          1HB       LYS  29 -10.093 -11.287 -11.287
  954   1HG   LYS  29          2HG       LYS  29  -9.074 -10.072 -10.072
  955   2HG   LYS  29          1HG       LYS  29  -7.535 -10.908 -10.908
  956   1HD   LYS  29          2HD       LYS  29  -9.910 -12.197 -12.197
  957   2HD   LYS  29          1HD       LYS  29  -8.689 -11.287 -11.287
  958   1HE   LYS  29          2HE       LYS  29  -7.961 -13.575 -13.575
  959   2HE   LYS  29          1HE       LYS  29  -8.279 -13.808 -13.808
  960   1HZ   LYS  29          1HZ       LYS  29  -6.601 -11.545 -11.545
  961   2HZ   LYS  29          3HZ       LYS  29  -5.911 -12.977 -12.977
  962   3HZ   LYS  29          2HZ       LYS  29  -6.352 -12.861 -12.861
  963    H    SER  30           H        SER  30  -8.002 -14.141 -14.141
  964    HA   SER  30           HA       SER  30 -10.015 -14.155 -14.155
  965   1HB   SER  30          2HB       SER  30  -9.389 -16.030 -16.030
  966   2HB   SER  30          1HB       SER  30  -7.897 -16.216 -16.216
  967    HG   SER  30           HG       SER  30 -10.398 -17.070 -17.070
  968    H    GLU  31           H        GLU  31  -6.480 -14.877 -14.877
  969    HA   GLU  31           HA       GLU  31  -6.147 -14.879 -14.879
  970   1HB   GLU  31          2HB       GLU  31  -4.550 -14.900 -14.900
  971   2HB   GLU  31          1HB       GLU  31  -3.947 -13.568 -13.568
  972   1HG   GLU  31          2HG       GLU  31  -4.236 -16.470 -16.470
  973   2HG   GLU  31          1HG       GLU  31  -2.748 -15.526 -15.526
  974    H    LEU  32           H        LEU  32  -6.403 -12.274 -12.274
  975    HA   LEU  32           HA       LEU  32  -5.629 -10.034 -10.034
  976   1HB   LEU  32          2HB       LEU  32  -6.219 -10.115 -10.115
  977   2HB   LEU  32          1HB       LEU  32  -7.904 -10.376 -10.376
  978    HG   LEU  32           HG       LEU  32  -7.952  -8.202  -8.202
  979   1HD1  LEU  32          1HD1      LEU  32  -5.162  -8.495  -8.495
  980   2HD1  LEU  32          3HD1      LEU  32  -5.485  -7.149  -7.149
  981   3HD1  LEU  32          2HD1      LEU  32  -6.062  -7.099  -7.099
  982   1HD2  LEU  32          3HD2      LEU  32  -7.754  -8.648  -8.648
  983   2HD2  LEU  32          2HD2      LEU  32  -8.544  -7.296  -7.296
  984   3HD2  LEU  32          1HD2      LEU  32  -6.851  -7.170  -7.170
  985    H    LYS  33           H        LYS  33  -8.969 -11.281 -11.281
  986    HA   LYS  33           HA       LYS  33 -10.355  -9.701  -9.701
  987   1HB   LYS  33          2HB       LYS  33 -10.631 -12.236 -12.236
  988   2HB   LYS  33          1HB       LYS  33 -11.163 -12.425 -12.425
  989   1HG   LYS  33          2HG       LYS  33 -12.145 -10.353 -10.353
  990   2HG   LYS  33          1HG       LYS  33 -13.063 -11.716 -11.716
  991   1HD   LYS  33          2HD       LYS  33 -13.531 -10.636 -10.636
  992   2HD   LYS  33          1HD       LYS  33 -11.890 -10.008 -10.008
  993   1HE   LYS  33          2HE       LYS  33 -13.450  -8.135  -8.135
  994   2HE   LYS  33          1HE       LYS  33 -12.447  -8.304  -8.304
  995   1HZ   LYS  33          1HZ       LYS  33 -14.367 -10.020 -10.020
  996   2HZ   LYS  33          3HZ       LYS  33 -15.265  -8.958  -8.958
  997   3HZ   LYS  33          2HZ       LYS  33 -14.472  -8.376  -8.376
  998    H    GLU  34           H        GLU  34  -8.543 -12.700 -12.700
  999    HA   GLU  34           HA       GLU  34  -8.973 -12.768 -12.768
 1000   1HB   GLU  34          2HB       GLU  34  -7.535 -14.190 -14.190
 1001   2HB   GLU  34          1HB       GLU  34  -6.221 -13.286 -13.286
 1002   1HG   GLU  34          2HG       GLU  34  -6.283 -14.904 -14.904
 1003   2HG   GLU  34          1HG       GLU  34  -7.749 -14.106 -14.106
 1004    H    LEU  35           H        LEU  35  -6.333 -11.211 -11.211
 1005    HA   LEU  35           HA       LEU  35  -4.900 -10.045 -10.045
 1006   1HB   LEU  35          2HB       LEU  35  -4.715 -10.119 -10.119
 1007   2HB   LEU  35          1HB       LEU  35  -5.462  -8.524  -8.524
 1008    HG   LEU  35           HG       LEU  35  -3.347  -8.843  -8.843
 1009   1HD1  LEU  35          3HD1      LEU  35  -2.766 -10.200 -10.200
 1010   2HD1  LEU  35          2HD1      LEU  35  -2.090  -8.600  -8.600
 1011   3HD1  LEU  35          1HD1      LEU  35  -1.568  -9.522  -9.522
 1012   1HD2  LEU  35          3HD2      LEU  35  -4.579  -6.786  -6.786
 1013   2HD2  LEU  35          2HD2      LEU  35  -2.886  -6.660  -6.660
 1014   3HD2  LEU  35          1HD2      LEU  35  -3.329  -6.945  -6.945
 1015    H    ILE  36           H        ILE  36  -7.934  -8.781  -8.781
 1016    HA   ILE  36           HA       ILE  36  -7.751  -6.370  -6.370
 1017    HB   ILE  36           HB       ILE  36 -10.367  -6.984  -6.984
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.070  -8.128  -8.128
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.562  -6.555  -6.555
 1020   1HG2  ILE  36          1HG2      ILE  36  -8.410  -4.765  -4.765
 1021   2HG2  ILE  36          3HG2      ILE  36  -9.544  -4.710  -4.710
 1022   3HG2  ILE  36          2HG2      ILE  36 -10.147  -4.776  -4.776
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.072  -6.283  -6.283
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.932  -7.562  -7.562
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.425  -5.941  -5.941
 1026    H    ASN  37           H        ASN  37  -9.874  -9.237  -9.237
 1027    HA   ASN  37           HA       ASN  37 -11.446  -8.684  -8.684
 1028   1HB   ASN  37          2HB       ASN  37 -10.630 -11.382 -11.382
 1029   2HB   ASN  37          1HB       ASN  37 -12.140 -10.943 -10.943
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.995  -8.870  -8.870
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.653  -8.483  -8.483
 1032    H    ASN  38           H        ASN  38  -8.150  -9.678  -9.678
 1033    HA   ASN  38           HA       ASN  38  -7.946 -11.125 -11.125
 1034   1HB   ASN  38          2HB       ASN  38  -6.315 -10.276 -10.276
 1035   2HB   ASN  38          1HB       ASN  38  -5.483  -9.901  -9.901
 1036   1HD2  ASN  38          2HD2      ASN  38  -6.449 -13.848 -13.848
 1037   2HD2  ASN  38          1HD2      ASN  38  -7.485 -12.635 -12.635
 1038    H    GLU  39           H        GLU  39  -7.394  -7.754  -7.754
 1039    HA   GLU  39           HA       GLU  39  -7.121  -6.987  -6.987
 1040   1HB   GLU  39          2HB       GLU  39  -5.240  -6.654  -6.654
 1041   2HB   GLU  39          1HB       GLU  39  -6.277  -5.437  -5.437
 1042   1HG   GLU  39          2HG       GLU  39  -4.791  -4.324  -4.324
 1043   2HG   GLU  39          1HG       GLU  39  -6.427  -4.286  -4.286
 1044    H    LEU  40           H        LEU  40  -8.757  -6.327  -6.327
 1045    HA   LEU  40           HA       LEU  40 -10.358  -4.154  -4.154
 1046   1HB   LEU  40          2HB       LEU  40  -9.962  -5.128  -5.128
 1047   2HB   LEU  40          1HB       LEU  40 -11.038  -3.800  -3.800
 1048    HG   LEU  40           HG       LEU  40  -8.085  -3.881  -3.881
 1049   1HD1  LEU  40          2HD1      LEU  40  -9.566  -2.991  -2.991
 1050   2HD1  LEU  40          1HD1      LEU  40  -8.349  -1.872  -1.872
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.890  -3.513  -3.513
 1052   1HD2  LEU  40          2HD2      LEU  40 -10.346  -1.965  -1.965
 1053   2HD2  LEU  40          1HD2      LEU  40  -9.010  -2.383  -2.383
 1054   3HD2  LEU  40          3HD2      LEU  40  -8.738  -1.305  -1.305
 1055    H    SER  41           H        SER  41 -11.129  -6.480  -6.480
 1056    HA   SER  41           HA       SER  41 -12.883  -8.273  -8.273
 1057   1HB   SER  41          2HB       SER  41 -12.432  -8.401  -8.401
 1058   2HB   SER  41          1HB       SER  41 -12.911  -6.728  -6.728
 1059    HG   SER  41           HG       SER  41 -15.013  -7.292  -7.292
 1060    H    HIS  42           H        HIS  42 -13.391  -4.823  -4.823
 1061    HA   HIS  42           HA       HIS  42 -16.136  -4.484  -4.484
 1062   1HB   HIS  42          2HB       HIS  42 -13.802  -3.111  -3.111
 1063   2HB   HIS  42          1HB       HIS  42 -15.440  -2.534  -2.534
 1064    HD1  HIS  42           HD1      HIS  42 -15.691  -0.507  -0.507
 1065    HD2  HIS  42           HD2      HIS  42 -13.923  -3.674  -3.674
 1066    HE1  HIS  42           HE1      HIS  42 -15.460   0.241   0.241
 1067    H    PHE  43           H        PHE  43 -13.989  -5.447  -5.447
 1068    HA   PHE  43           HA       PHE  43 -16.120  -5.446  -5.446
 1069   1HB   PHE  43          2HB       PHE  43 -13.305  -6.550  -6.550
 1070   2HB   PHE  43          1HB       PHE  43 -14.311  -6.714  -6.714
 1071    HD1  PHE  43           HD2      PHE  43 -15.584  -4.412  -4.412
 1072    HD2  PHE  43           HD1      PHE  43 -11.894  -4.734  -4.734
 1073    HE1  PHE  43           HE2      PHE  43 -14.991  -2.090  -2.090
 1074    HE2  PHE  43           HE1      PHE  43 -11.309  -2.405  -2.405
 1075    HZ   PHE  43           HZ       PHE  43 -12.862  -1.086  -1.086
 1076    H    LEU  44           H        LEU  44 -14.996  -7.694  -7.694
 1077    HA   LEU  44           HA       LEU  44 -15.723 -10.196 -10.196
 1078   1HB   LEU  44          2HB       LEU  44 -14.885  -9.310  -9.310
 1079   2HB   LEU  44          1HB       LEU  44 -16.601  -9.408  -9.408
 1080    HG   LEU  44           HG       LEU  44 -16.610 -11.772 -11.772
 1081   1HD1  LEU  44          3HD1      LEU  44 -14.144 -10.993 -10.993
 1082   2HD1  LEU  44          2HD1      LEU  44 -13.751 -12.185 -12.185
 1083   3HD1  LEU  44          1HD1      LEU  44 -14.883 -12.594 -12.594
 1084   1HD2  LEU  44          3HD2      LEU  44 -15.574 -10.722 -10.722
 1085   2HD2  LEU  44          2HD2      LEU  44 -16.094 -12.387 -12.387
 1086   3HD2  LEU  44          1HD2      LEU  44 -14.401 -11.947 -11.947
 1087    H    GLU  45           H        GLU  45 -17.633  -7.571  -7.571
 1088    HA   GLU  45           HA       GLU  45 -20.218  -8.905  -8.905
 1089   1HB   GLU  45          2HB       GLU  45 -19.091  -6.783  -6.783
 1090   2HB   GLU  45          1HB       GLU  45 -20.536  -6.222  -6.222
 1091   1HG   GLU  45          2HG       GLU  45 -20.491  -8.865  -8.865
 1092   2HG   GLU  45          1HG       GLU  45 -20.891  -7.360  -7.360
 1093    H    GLU  46           H        GLU  46 -18.033  -6.481  -6.481
 1094    HA   GLU  46           HA       GLU  46 -18.041  -5.197  -5.197
 1095   1HB   GLU  46          2HB       GLU  46 -18.322  -7.648  -7.648
 1096   2HB   GLU  46          1HB       GLU  46 -20.040  -7.297  -7.297
 1097   1HG   GLU  46          2HG       GLU  46 -19.352  -5.374  -5.374
 1098   2HG   GLU  46          1HG       GLU  46 -17.723  -6.050  -6.050
 1099    H    ILE  47           H        ILE  47 -20.390  -4.990  -4.990
 1100    HA   ILE  47           HA       ILE  47 -22.458  -3.734  -3.734
 1101    HB   ILE  47           HB       ILE  47 -22.782  -5.547  -5.547
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.612  -4.282  -4.282
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.929  -4.560  -4.560
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.385  -3.054  -3.054
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.069  -4.567  -4.567
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.398  -4.513  -4.513
 1107   1HD1  ILE  47          2HD1      ILE  47 -23.716  -2.226  -2.226
 1108   2HD1  ILE  47          1HD1      ILE  47 -24.206  -2.013  -2.013
 1109   3HD1  ILE  47          3HD1      ILE  47 -25.424  -2.294  -2.294
 1110    H    LYS  48           H        LYS  48 -20.262  -3.076  -3.076
 1111    HA   LYS  48           HA       LYS  48 -21.076  -0.516  -0.516
 1112   1HB   LYS  48          2HB       LYS  48 -18.561  -2.102  -2.102
 1113   2HB   LYS  48          1HB       LYS  48 -18.375  -0.375  -0.375
 1114   1HG   LYS  48          2HG       LYS  48 -18.606  -1.307  -1.307
 1115   2HG   LYS  48          1HG       LYS  48 -20.213  -0.679  -0.679
 1116   1HD   LYS  48          2HD       LYS  48 -20.727  -2.824  -2.824
 1117   2HD   LYS  48          1HD       LYS  48 -20.606  -3.090  -3.090
 1118   1HE   LYS  48          2HE       LYS  48 -19.169  -4.769  -4.769
 1119   2HE   LYS  48          1HE       LYS  48 -17.998  -3.438  -3.438
 1120   1HZ   LYS  48          1HZ       LYS  48 -18.707  -3.040  -3.040
 1121   2HZ   LYS  48          3HZ       LYS  48 -19.719  -4.398  -4.398
 1122   3HZ   LYS  48          2HZ       LYS  48 -18.035  -4.588  -4.588
 1123    H    GLU  49           H        GLU  49 -19.749  -1.487  -1.487
 1124    HA   GLU  49           HA       GLU  49 -19.716   1.354   1.354
 1125   1HB   GLU  49          2HB       GLU  49 -17.470   0.716   0.716
 1126   2HB   GLU  49          1HB       GLU  49 -17.448   1.022   1.022
 1127   1HG   GLU  49          2HG       GLU  49 -18.100  -1.748  -1.748
 1128   2HG   GLU  49          1HG       GLU  49 -16.620  -1.335  -1.335
 1129    H    GLN  50           H        GLN  50 -21.667   0.609   0.609
 1130    HA   GLN  50           HA       GLN  50 -21.615  -1.597  -1.597
 1131   1HB   GLN  50          2HB       GLN  50 -23.301   0.882   0.882
 1132   2HB   GLN  50          1HB       GLN  50 -23.664  -0.315  -0.315
 1133   1HG   GLN  50          2HG       GLN  50 -23.833  -2.071  -2.071
 1134   2HG   GLN  50          1HG       GLN  50 -23.404  -0.912  -0.912
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.149  -0.708  -0.708
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.898  -1.486  -1.486
 1137    H    GLU  51           H        GLU  51 -22.048   1.804   1.804
 1138    HA   GLU  51           HA       GLU  51 -21.388   1.628   1.628
 1139   1HB   GLU  51          2HB       GLU  51 -22.078   3.678   3.678
 1140   2HB   GLU  51          1HB       GLU  51 -20.539   3.754   3.754
 1141   1HG   GLU  51          2HG       GLU  51 -19.479   3.661   3.661
 1142   2HG   GLU  51          1HG       GLU  51 -21.078   4.171   4.171
 1143    H    VAL  52           H        VAL  52 -18.983   1.840   1.840
 1144    HA   VAL  52           HA       VAL  52 -16.759   1.770   1.770
 1145    HB   VAL  52           HB       VAL  52 -16.325   1.105   1.105
 1146   1HG1  VAL  52          2HG1      VAL  52 -15.022   2.527   2.527
 1147   2HG1  VAL  52          1HG1      VAL  52 -14.787   3.260   3.260
 1148   3HG1  VAL  52          3HG1      VAL  52 -14.305   1.587   1.587
 1149   1HG2  VAL  52          1HG2      VAL  52 -17.767   3.543   3.543
 1150   2HG2  VAL  52          3HG2      VAL  52 -17.871   2.721   2.721
 1151   3HG2  VAL  52          2HG2      VAL  52 -16.504   3.779   3.779
 1152    H    VAL  53           H        VAL  53 -18.715  -0.520  -0.520
 1153    HA   VAL  53           HA       VAL  53 -16.879  -2.768  -2.768
 1154    HB   VAL  53           HB       VAL  53 -19.717  -2.248  -2.248
 1155   1HG1  VAL  53          1HG1      VAL  53 -19.922  -4.061  -4.061
 1156   2HG1  VAL  53          3HG1      VAL  53 -18.756  -5.017  -5.017
 1157   3HG1  VAL  53          2HG1      VAL  53 -20.321  -4.619  -4.619
 1158   1HG2  VAL  53          3HG2      VAL  53 -17.636  -2.486  -2.486
 1159   2HG2  VAL  53          2HG2      VAL  53 -19.069  -3.401  -3.401
 1160   3HG2  VAL  53          1HG2      VAL  53 -17.733  -4.210  -4.210
 1161    H    ASP  54           H        ASP  54 -19.259  -1.107  -1.107
 1162    HA   ASP  54           HA       ASP  54 -19.608  -3.064  -3.064
 1163   1HB   ASP  54          2HB       ASP  54 -21.192  -1.346  -1.346
 1164   2HB   ASP  54          1HB       ASP  54 -19.999  -0.119  -0.119
 1165    H    LYS  55           H        LYS  55 -17.476  -0.222  -0.222
 1166    HA   LYS  55           HA       LYS  55 -15.927  -0.726  -0.726
 1167   1HB   LYS  55          2HB       LYS  55 -15.766   0.983   0.983
 1168   2HB   LYS  55          1HB       LYS  55 -14.358   0.873   0.873
 1169   1HG   LYS  55          2HG       LYS  55 -15.371   2.550   2.550
 1170   2HG   LYS  55          1HG       LYS  55 -16.361   1.253   1.253
 1171   1HD   LYS  55          2HD       LYS  55 -18.008   1.593   1.593
 1172   2HD   LYS  55          1HD       LYS  55 -17.036   2.936   2.936
 1173   1HE   LYS  55          2HE       LYS  55 -17.253   3.925   3.925
 1174   2HE   LYS  55          1HE       LYS  55 -18.579   2.762   2.762
 1175   1HZ   LYS  55          3HZ       LYS  55 -18.496   4.271   4.271
 1176   2HZ   LYS  55          2HZ       LYS  55 -18.957   5.128   5.128
 1177   3HZ   LYS  55          1HZ       LYS  55 -19.833   3.755   3.755
 1178    H    VAL  56           H        VAL  56 -15.733  -1.675  -1.675
 1179    HA   VAL  56           HA       VAL  56 -13.101  -2.628  -2.628
 1180    HB   VAL  56           HB       VAL  56 -15.784  -3.453  -3.453
 1181   1HG1  VAL  56          1HG1      VAL  56 -13.212  -4.920  -4.920
 1182   2HG1  VAL  56          3HG1      VAL  56 -14.055  -4.690  -4.690
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.860  -5.516  -5.516
 1184   1HG2  VAL  56          2HG2      VAL  56 -13.886  -1.470  -1.470
 1185   2HG2  VAL  56          1HG2      VAL  56 -15.268  -1.942  -1.942
 1186   3HG2  VAL  56          3HG2      VAL  56 -13.696  -2.693  -2.693
 1187    H    MET  57           H        MET  57 -15.993  -4.241  -4.241
 1188    HA   MET  57           HA       MET  57 -14.552  -6.679  -6.679
 1189   1HB   MET  57          2HB       MET  57 -17.285  -5.620  -5.620
 1190   2HB   MET  57          1HB       MET  57 -16.748  -7.297  -7.297
 1191   1HG   MET  57          2HG       MET  57 -16.866  -5.728  -5.728
 1192   2HG   MET  57          1HG       MET  57 -18.129  -6.832  -6.832
 1193   1HE   MET  57          3HE       MET  57 -17.310  -9.059  -9.059
 1194   2HE   MET  57          2HE       MET  57 -16.559 -10.250 -10.250
 1195   3HE   MET  57          1HE       MET  57 -18.046  -9.447  -9.447
 1196    H    GLU  58           H        GLU  58 -15.465  -3.664  -3.664
 1197    HA   GLU  58           HA       GLU  58 -15.260  -4.422  -4.422
 1198   1HB   GLU  58          2HB       GLU  58 -15.348  -2.148  -2.148
 1199   2HB   GLU  58          1HB       GLU  58 -15.730  -2.144  -2.144
 1200   1HG   GLU  58          2HG       GLU  58 -14.012  -0.541  -0.541
 1201   2HG   GLU  58          1HG       GLU  58 -13.155  -1.987  -1.987
 1202    H    THR  59           H        THR  59 -12.693  -3.690  -3.690
 1203    HA   THR  59           HA       THR  59 -10.594  -4.053  -4.053
 1204    HB   THR  59           HB       THR  59 -10.708  -3.343  -3.343
 1205    HG1  THR  59           HG1      THR  59 -11.108  -1.647  -1.647
 1206   1HG2  THR  59          1HG2      THR  59  -8.429  -4.340  -4.340
 1207   2HG2  THR  59          3HG2      THR  59  -8.116  -2.896  -2.896
 1208   3HG2  THR  59          2HG2      THR  59  -8.674  -4.374  -4.374
 1209    H    LEU  60           H        LEU  60 -11.927  -5.718  -5.718
 1210    HA   LEU  60           HA       LEU  60  -9.951  -7.865  -7.865
 1211   1HB   LEU  60          2HB       LEU  60 -11.545  -6.848  -6.848
 1212   2HB   LEU  60          1HB       LEU  60 -12.698  -8.023  -8.023
 1213    HG   LEU  60           HG       LEU  60  -9.976  -9.068  -9.068
 1214   1HD1  LEU  60          2HD1      LEU  60 -11.246  -7.483  -7.483
 1215   2HD1  LEU  60          1HD1      LEU  60 -11.353  -9.172  -9.172
 1216   3HD1  LEU  60          3HD1      LEU  60  -9.781  -8.455  -8.455
 1217   1HD2  LEU  60          3HD2      LEU  60 -12.818  -9.914  -9.914
 1218   2HD2  LEU  60          2HD2      LEU  60 -11.400 -10.797 -10.797
 1219   3HD2  LEU  60          1HD2      LEU  60 -11.750 -10.702 -10.702
 1220    H    ASP  61           H        ASP  61 -12.792  -7.187  -7.187
 1221    HA   ASP  61           HA       ASP  61 -13.421 -10.005 -10.005
 1222   1HB   ASP  61          2HB       ASP  61 -15.087  -8.124  -8.124
 1223   2HB   ASP  61          1HB       ASP  61 -14.554  -7.450  -7.450
 1224    H    SER  62           H        SER  62 -11.140  -7.831  -7.831
 1225    HA   SER  62           HA       SER  62 -11.180  -7.803  -7.803
 1226   1HB   SER  62          2HB       SER  62  -8.561  -8.289  -8.289
 1227   2HB   SER  62          1HB       SER  62  -9.323  -6.743  -6.743
 1228    HG   SER  62           HG       SER  62  -8.805  -8.928  -8.928
 1229    H    ASP  63           H        ASP  63 -10.712 -10.461 -10.461
 1230    HA   ASP  63           HA       ASP  63 -10.230 -12.750 -12.750
 1231   1HB   ASP  63          2HB       ASP  63 -12.627 -11.975 -11.975
 1232   2HB   ASP  63          1HB       ASP  63 -11.965 -12.449 -12.449
 1233    H    GLY  64           H        GLY  64  -7.989 -12.687 -12.687
 1234   1HA   GLY  64          2HA       GLY  64  -6.730 -13.871 -13.871
 1235   2HA   GLY  64          1HA       GLY  64  -7.682 -12.950 -12.950
 1236    H    ASP  65           H        ASP  65  -7.158 -10.740 -10.740
 1237    HA   ASP  65           HA       ASP  65  -4.352 -10.078 -10.078
 1238   1HB   ASP  65          2HB       ASP  65  -6.664  -9.100  -9.100
 1239   2HB   ASP  65          1HB       ASP  65  -5.427  -7.904  -7.904
 1240    H    GLY  66           H        GLY  66  -5.825 -10.203 -10.203
 1241   1HA   GLY  66          2HA       GLY  66  -5.231  -7.510  -7.510
 1242   2HA   GLY  66          1HA       GLY  66  -6.944  -7.956  -7.956
 1243    H    GLU  67           H        GLU  67  -3.791  -9.482  -9.482
 1244    HA   GLU  67           HA       GLU  67  -4.945 -11.047 -11.047
 1245   1HB   GLU  67          2HB       GLU  67  -2.505 -11.845 -11.845
 1246   2HB   GLU  67          1HB       GLU  67  -3.393 -12.163 -12.163
 1247   1HG   GLU  67          2HG       GLU  67  -2.238 -10.538 -10.538
 1248   2HG   GLU  67          1HG       GLU  67  -1.844  -9.608  -9.608
 1249    H    CYS  68           H        CYS  68  -3.332 -11.079 -11.079
 1250    HA   CYS  68           HA       CYS  68  -3.170  -8.239  -8.239
 1251   1HB   CYS  68          2HB       CYS  68  -4.572  -9.617  -9.617
 1252   2HB   CYS  68          1HB       CYS  68  -3.389 -10.914 -10.914
 1253    HG   CYS  68           HG       CYS  68  -2.488  -8.265  -8.265
 1254    H    ASP  69           H        ASP  69  -1.066  -8.458  -8.458
 1255    HA   ASP  69           HA       ASP  69   1.235  -9.560  -9.560
 1256   1HB   ASP  69          2HB       ASP  69   0.779  -8.336  -8.336
 1257   2HB   ASP  69          1HB       ASP  69   2.414  -8.522  -8.522
 1258    H    PHE  70           H        PHE  70   3.139  -8.045  -8.045
 1259    HA   PHE  70           HA       PHE  70   3.126  -6.217  -6.217
 1260   1HB   PHE  70          2HB       PHE  70   4.469  -5.674  -5.674
 1261   2HB   PHE  70          1HB       PHE  70   5.024  -5.144  -5.144
 1262    HD1  PHE  70           HD1      PHE  70   4.472  -7.406  -7.406
 1263    HD2  PHE  70           HD2      PHE  70   6.003  -7.329  -7.329
 1264    HE1  PHE  70           HE1      PHE  70   5.487  -9.630  -9.630
 1265    HE2  PHE  70           HE2      PHE  70   7.020  -9.560  -9.560
 1266    HZ   PHE  70           HZ       PHE  70   6.725 -10.712 -10.712
 1267    H    GLN  71           H        GLN  71   3.108  -4.587  -4.587
 1268    HA   GLN  71           HA       GLN  71   1.936  -2.193  -2.193
 1269   1HB   GLN  71          2HB       GLN  71   1.660  -1.675  -1.675
 1270   2HB   GLN  71          1HB       GLN  71   3.146  -2.608  -2.608
 1271   1HG   GLN  71          2HG       GLN  71   2.219  -3.840  -3.840
 1272   2HG   GLN  71          1HG       GLN  71   1.407  -4.641  -4.641
 1273   1HE2  GLN  71          2HE2      GLN  71  -1.440  -3.841  -3.841
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.239  -5.026  -5.026
 1275    H    GLU  72           H        GLU  72   0.444  -5.217  -5.217
 1276    HA   GLU  72           HA       GLU  72  -2.240  -4.076  -4.076
 1277   1HB   GLU  72          2HB       GLU  72  -1.715  -6.952  -6.952
 1278   2HB   GLU  72          1HB       GLU  72  -2.814  -6.263  -6.263
 1279   1HG   GLU  72          2HG       GLU  72  -0.420  -5.405  -5.405
 1280   2HG   GLU  72          1HG       GLU  72   0.051  -6.940  -6.940
 1281    H    PHE  73           H        PHE  73  -0.728  -6.178  -6.178
 1282    HA   PHE  73           HA       PHE  73  -2.880  -6.082  -6.082
 1283   1HB   PHE  73          2HB       PHE  73  -1.133  -7.543  -7.543
 1284   2HB   PHE  73          1HB       PHE  73   0.107  -6.368  -6.368
 1285    HD1  PHE  73           HD2      PHE  73  -2.695  -5.264  -5.264
 1286    HD2  PHE  73           HD1      PHE  73   1.251  -6.943  -6.943
 1287    HE1  PHE  73           HE2      PHE  73  -2.454  -4.589  -4.589
 1288    HE2  PHE  73           HE1      PHE  73   1.481  -6.293  -6.293
 1289    HZ   PHE  73           HZ       PHE  73  -0.370  -5.107  -5.107
 1290    H    MET  74           H        MET  74  -0.061  -3.875  -3.875
 1291    HA   MET  74           HA       MET  74  -1.079  -2.040  -2.040
 1292   1HB   MET  74          2HB       MET  74   0.962  -1.968  -1.968
 1293   2HB   MET  74          1HB       MET  74   0.713  -0.589  -0.589
 1294   1HG   MET  74          2HG       MET  74   1.607  -1.640  -1.640
 1295   2HG   MET  74          1HG       MET  74   0.870  -3.181  -3.181
 1296   1HE   MET  74          1HE       MET  74   3.514  -1.692  -1.692
 1297   2HE   MET  74          3HE       MET  74   3.827  -3.420  -3.420
 1298   3HE   MET  74          2HE       MET  74   4.958  -2.416  -2.416
 1299    H    ALA  75           H        ALA  75  -1.625  -2.382  -2.382
 1300    HA   ALA  75           HA       ALA  75  -2.821   0.233   0.233
 1301   1HB   ALA  75          1HB       ALA  75  -2.734  -2.433  -2.433
 1302   2HB   ALA  75          3HB       ALA  75  -3.843  -1.195  -1.195
 1303   3HB   ALA  75          2HB       ALA  75  -2.108  -0.879  -0.879
 1304    H    PHE  76           H        PHE  76  -4.497  -2.863  -2.863
 1305    HA   PHE  76           HA       PHE  76  -7.097  -2.007  -2.007
 1306   1HB   PHE  76          2HB       PHE  76  -6.359  -4.247  -4.247
 1307   2HB   PHE  76          1HB       PHE  76  -5.805  -4.594  -4.594
 1308    HD1  PHE  76           HD1      PHE  76  -8.852  -3.144  -3.144
 1309    HD2  PHE  76           HD2      PHE  76  -7.259  -5.868  -5.868
 1310    HE1  PHE  76           HE1      PHE  76 -11.156  -3.857  -3.857
 1311    HE2  PHE  76           HE2      PHE  76  -9.558  -6.581  -6.581
 1312    HZ   PHE  76           HZ       PHE  76 -11.506  -5.575  -5.575
 1313    H    VAL  77           H        VAL  77  -4.957  -3.400  -3.400
 1314    HA   VAL  77           HA       VAL  77  -6.612  -3.106  -3.106
 1315    HB   VAL  77           HB       VAL  77  -4.161  -3.892  -3.892
 1316   1HG1  VAL  77          3HG1      VAL  77  -3.348  -1.769  -1.769
 1317   2HG1  VAL  77          2HG1      VAL  77  -3.677  -0.932  -0.932
 1318   3HG1  VAL  77          1HG1      VAL  77  -2.451  -2.198  -2.198
 1319   1HG2  VAL  77          3HG2      VAL  77  -5.651  -2.716  -2.716
 1320   2HG2  VAL  77          2HG2      VAL  77  -4.436  -3.992  -3.992
 1321   3HG2  VAL  77          1HG2      VAL  77  -3.951  -2.300  -2.300
 1322    H    ALA  78           H        ALA  78  -4.790  -0.633  -0.633
 1323    HA   ALA  78           HA       ALA  78  -5.590   1.594   1.594
 1324   1HB   ALA  78          1HB       ALA  78  -3.616   1.288   1.288
 1325   2HB   ALA  78          3HB       ALA  78  -4.799   1.716   1.716
 1326   3HB   ALA  78          2HB       ALA  78  -4.415   2.863   2.863
 1327    H    MET  79           H        MET  79  -6.556   0.674   0.674
 1328    HA   MET  79           HA       MET  79  -8.578   2.552   2.552
 1329   1HB   MET  79          2HB       MET  79  -7.603   0.326   0.326
 1330   2HB   MET  79          1HB       MET  79  -9.209  -0.234  -0.234
 1331   1HG   MET  79          2HG       MET  79 -10.132   1.888   1.888
 1332   2HG   MET  79          1HG       MET  79  -8.520   2.190   2.190
 1333   1HE   MET  79          1HE       MET  79  -7.197  -0.028  -0.028
 1334   2HE   MET  79          3HE       MET  79  -7.816  -0.573  -0.573
 1335   3HE   MET  79          2HE       MET  79  -7.587   1.146   1.146
 1336    H    ILE  80           H        ILE  80  -8.664  -0.374  -0.374
 1337    HA   ILE  80           HA       ILE  80 -11.532  -0.198  -0.198
 1338    HB   ILE  80           HB       ILE  80  -9.271  -1.727  -1.727
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.375  -1.980  -1.980
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.666  -3.476  -3.476
 1341   1HG2  ILE  80          3HG2      ILE  80 -12.152  -1.637  -1.637
 1342   2HG2  ILE  80          2HG2      ILE  80 -11.615  -3.254  -3.254
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.948  -2.475  -2.475
 1344   1HD1  ILE  80          1HD1      ILE  80 -12.097  -1.914  -1.914
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.324  -2.405  -2.405
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.797  -3.622  -3.622
 1347    H    THR  81           H        THR  81  -8.526   0.057   0.057
 1348    HA   THR  81           HA       THR  81  -9.402   0.991   0.991
 1349    HB   THR  81           HB       THR  81  -7.055   1.724   1.724
 1350    HG1  THR  81           HG1      THR  81  -7.570  -0.404  -0.404
 1351   1HG2  THR  81          3HG2      THR  81  -7.460   3.588   3.588
 1352   2HG2  THR  81          2HG2      THR  81  -7.467   2.448   2.448
 1353   3HG2  THR  81          1HG2      THR  81  -5.990   2.707   2.707
 1354    H    THR  82           H        THR  82  -9.448   2.695   2.695
 1355    HA   THR  82           HA       THR  82  -9.826   5.363   5.363
 1356    HB   THR  82           HB       THR  82 -10.266   5.915   5.915
 1357    HG1  THR  82           HG1      THR  82 -11.116   3.293   3.293
 1358   1HG2  THR  82          1HG2      THR  82  -8.042   4.294   4.294
 1359   2HG2  THR  82          3HG2      THR  82  -8.444   3.887   3.887
 1360   3HG2  THR  82          2HG2      THR  82  -8.080   5.555   5.555
 1361    H    ALA  83           H        ALA  83 -11.800   2.665   2.665
 1362    HA   ALA  83           HA       ALA  83 -14.375   3.988   3.988
 1363   1HB   ALA  83          3HB       ALA  83 -13.560   1.479   1.479
 1364   2HB   ALA  83          2HB       ALA  83 -13.981   1.415   1.415
 1365   3HB   ALA  83          1HB       ALA  83 -15.209   1.831   1.831
 1366    H    CYS  84           H        CYS  84 -12.127   3.761   3.761
 1367    HA   CYS  84           HA       CYS  84 -13.723   3.668   3.668
 1368   1HB   CYS  84          2HB       CYS  84 -11.260   3.665   3.665
 1369   2HB   CYS  84          1HB       CYS  84 -11.266   5.345   5.345
 1370    HG   CYS  84           HG       CYS  84 -12.189   4.421   4.421
 1371    H    HIS  85           H        HIS  85 -12.340   6.832   6.832
 1372    HA   HIS  85           HA       HIS  85 -14.644   8.282   8.282
 1373   1HB   HIS  85          2HB       HIS  85 -15.295   7.065   7.065
 1374   2HB   HIS  85          1HB       HIS  85 -14.358   8.347   8.347
 1375    HD1  HIS  85           HD1      HIS  85 -15.098  10.877  10.877
 1376    HD2  HIS  85           HD2      HIS  85 -17.891   7.821   7.821
 1377    HE1  HIS  85           HE1      HIS  85 -17.347  12.003  12.003
 1378    H    GLU  86           H        GLU  86 -12.570   8.825   8.825
 1379    HA   GLU  86           HA       GLU  86 -11.876  11.507  11.507
 1380   1HB   GLU  86          2HB       GLU  86 -10.858   9.377   9.377
 1381   2HB   GLU  86          1HB       GLU  86  -9.923  10.860  10.860
 1382   1HG   GLU  86          2HG       GLU  86 -11.938  12.190  12.190
 1383   2HG   GLU  86          1HG       GLU  86 -12.840  10.695  10.695
 1384    H    PHE  87           H        PHE  87  -9.230  11.861  11.861
 1385    HA   PHE  87           HA       PHE  87  -7.590  12.006  12.006
 1386   1HB   PHE  87          2HB       PHE  87  -6.092  10.189  10.189
 1387   2HB   PHE  87          1HB       PHE  87  -7.011  10.333  10.333
 1388    HD1  PHE  87           HD1      PHE  87  -9.012   8.842   8.842
 1389    HD2  PHE  87           HD2      PHE  87  -6.140   8.173   8.173
 1390    HE1  PHE  87           HE1      PHE  87  -9.854   6.532   6.532
 1391    HE2  PHE  87           HE2      PHE  87  -7.048   5.843   5.843
 1392    HZ   PHE  87           HZ       PHE  87  -8.874   5.036   5.036
 1393    H    PHE  88           H        PHE  88  -6.669   9.741   9.741
 1394    HA   PHE  88           HA       PHE  88  -6.944   9.297   9.297
 1395   1HB   PHE  88          2HB       PHE  88  -8.643   7.628   7.628
 1396   2HB   PHE  88          1HB       PHE  88  -8.902   7.483   7.483
 1397    HD1  PHE  88           HD2      PHE  88  -5.557   8.460   8.460
 1398    HD2  PHE  88           HD1      PHE  88  -8.091   5.101   5.101
 1399    HE1  PHE  88           HE2      PHE  88  -3.572   6.978   6.978
 1400    HE2  PHE  88           HE1      PHE  88  -6.104   3.634   3.634
 1401    HZ   PHE  88           HZ       PHE  88  -3.844   4.575   4.575
 1402    H    GLU  89           H        GLU  89 -10.298   8.706   8.706
 1403    HA   GLU  89           HA       GLU  89 -12.300   9.715   9.715
 1404   1HB   GLU  89          2HB       GLU  89 -10.524  11.776  11.776
 1405   2HB   GLU  89          1HB       GLU  89 -10.955  12.030  12.030
 1406   1HG   GLU  89          2HG       GLU  89 -13.182  12.425  12.425
 1407   2HG   GLU  89          1HG       GLU  89 -13.154  11.429  11.429
 1408    H    HIS  90           H        HIS  90 -13.420   9.750   9.750
 1409    HA   HIS  90           HA       HIS  90 -12.045   8.378   8.378
 1410   1HB   HIS  90          2HB       HIS  90 -14.752   9.724   9.724
 1411   2HB   HIS  90          1HB       HIS  90 -14.278   8.693   8.693
 1412    HD1  HIS  90           HD1      HIS  90 -16.418   7.270   7.270
 1413    HD2  HIS  90           HD2      HIS  90 -12.797   7.218   7.218
 1414    HE1  HIS  90           HE1      HIS  90 -16.516   5.282   5.282
 1415    H    GLU  91           H        GLU  91 -12.611  11.726  11.726
 1416    HA   GLU  91           HA       GLU  91 -10.771  12.779  12.779
 1417   1HB   GLU  91          2HB       GLU  91 -12.099  11.982  11.982
 1418   2HB   GLU  91          1HB       GLU  91 -13.604  12.428  12.428
 1419   1HG   GLU  91          2HG       GLU  91 -12.953  14.832  14.832
 1420   2HG   GLU  91          1HG       GLU  91 -11.531  14.330  14.330

  Start of MODEL   17
    1   1H    MET   0          1H        MET   0   0.233  -9.319  -9.319
    2   2H    MET   0          3H        MET   0   0.680 -10.352 -10.352
    3   3H    MET   0          2H        MET   0  -0.213 -10.957 -10.957
    4    HA   MET   0           HA       MET   0  -1.977 -10.673 -10.673
    5   1HB   MET   0          2HB       MET   0  -1.778  -9.137  -9.137
    6   2HB   MET   0          1HB       MET   0  -0.427 -10.267 -10.267
    7   1HG   MET   0          2HG       MET   0   1.085  -8.629  -8.629
    8   2HG   MET   0          1HG       MET   0  -0.114  -7.667  -7.667
    9   1HE   MET   0          2HE       MET   0  -0.538  -5.709  -5.709
   10   2HE   MET   0          1HE       MET   0  -0.660  -4.884  -4.884
   11   3HE   MET   0          3HE       MET   0   0.927  -5.286  -5.286
   12    H    SER   1           H        SER   1  -2.126  -7.549  -7.549
   13    HA   SER   1           HA       SER   1  -3.743  -6.776  -6.776
   14   1HB   SER   1          2HB       SER   1  -3.373  -6.055  -6.055
   15   2HB   SER   1          1HB       SER   1  -3.653  -4.662  -4.662
   16    HG   SER   1           HG       SER   1  -5.483  -6.136  -6.136
   17    H    GLU   2           H        GLU   2  -0.616  -6.892  -6.892
   18    HA   GLU   2           HA       GLU   2   0.662  -4.453  -4.453
   19   1HB   GLU   2          2HB       GLU   2   0.874  -7.046  -7.046
   20   2HB   GLU   2          1HB       GLU   2   1.459  -5.769  -5.769
   21   1HG   GLU   2          2HG       GLU   2   3.390  -5.914  -5.914
   22   2HG   GLU   2          1HG       GLU   2   2.523  -5.037  -5.037
   23    H    LEU   3           H        LEU   3  -1.846  -5.535  -5.535
   24    HA   LEU   3           HA       LEU   3  -1.366  -3.481  -3.481
   25   1HB   LEU   3          2HB       LEU   3  -3.357  -5.609  -5.609
   26   2HB   LEU   3          1HB       LEU   3  -3.860  -4.340  -4.340
   27    HG   LEU   3           HG       LEU   3  -2.002  -4.822  -4.822
   28   1HD1  LEU   3          2HD1      LEU   3  -1.090  -6.401  -6.401
   29   2HD1  LEU   3          1HD1      LEU   3  -0.636  -6.977  -6.977
   30   3HD1  LEU   3          3HD1      LEU   3  -0.157  -5.364  -5.364
   31   1HD2  LEU   3          2HD2      LEU   3  -3.922  -6.861  -6.861
   32   2HD2  LEU   3          1HD2      LEU   3  -3.425  -6.395  -6.395
   33   3HD2  LEU   3          3HD2      LEU   3  -2.475  -7.570  -7.570
   34    H    GLU   4           H        GLU   4  -3.998  -3.967  -3.967
   35    HA   GLU   4           HA       GLU   4  -5.196  -1.386  -1.386
   36   1HB   GLU   4          2HB       GLU   4  -6.421  -3.164  -3.164
   37   2HB   GLU   4          1HB       GLU   4  -5.128  -3.447  -3.447
   38   1HG   GLU   4          2HG       GLU   4  -5.545  -1.028  -1.028
   39   2HG   GLU   4          1HG       GLU   4  -7.051  -1.122  -1.122
   40    H    LYS   5           H        LYS   5  -2.535  -2.622  -2.622
   41    HA   LYS   5           HA       LYS   5  -2.161  -0.270  -0.270
   42   1HB   LYS   5          2HB       LYS   5  -0.183  -2.443  -2.443
   43   2HB   LYS   5          1HB       LYS   5  -0.201  -1.488  -1.488
   44   1HG   LYS   5          2HG       LYS   5  -2.676  -3.049  -3.049
   45   2HG   LYS   5          1HG       LYS   5  -1.247  -3.980  -3.980
   46   1HD   LYS   5          2HD       LYS   5  -1.080  -2.991  -2.991
   47   2HD   LYS   5          1HD       LYS   5  -2.015  -1.575  -1.575
   48   1HE   LYS   5          2HE       LYS   5  -4.010  -3.170  -3.170
   49   2HE   LYS   5          1HE       LYS   5  -3.034  -4.363  -4.363
   50   1HZ   LYS   5          2HZ       LYS   5  -2.614  -2.376  -2.376
   51   2HZ   LYS   5          1HZ       LYS   5  -4.047  -1.754  -1.754
   52   3HZ   LYS   5          3HZ       LYS   5  -4.066  -3.249  -3.249
   53    H    ALA   6           H        ALA   6  -0.727  -1.594  -1.594
   54    HA   ALA   6           HA       ALA   6   1.145   0.562   0.562
   55   1HB   ALA   6          1HB       ALA   6  -0.218  -1.513  -1.513
   56   2HB   ALA   6          3HB       ALA   6   0.994  -0.400  -0.400
   57   3HB   ALA   6          2HB       ALA   6   1.430  -1.556  -1.556
   58    H    VAL   7           H        VAL   7  -2.246  -0.031  -0.031
   59    HA   VAL   7           HA       VAL   7  -2.733   2.161   2.161
   60    HB   VAL   7           HB       VAL   7  -4.170   0.202   0.202
   61   1HG1  VAL   7          1HG1      VAL   7  -5.352   2.766   2.766
   62   2HG1  VAL   7          3HG1      VAL   7  -6.345   1.322   1.322
   63   3HG1  VAL   7          2HG1      VAL   7  -5.508   2.028   2.028
   64   1HG2  VAL   7          3HG2      VAL   7  -3.430   0.062   0.062
   65   2HG2  VAL   7          2HG2      VAL   7  -4.967  -0.627  -0.627
   66   3HG2  VAL   7          1HG2      VAL   7  -4.930   0.952   0.952
   67    H    VAL   8           H        VAL   8  -3.336   1.716   1.716
   68    HA   VAL   8           HA       VAL   8  -4.143   4.331   4.331
   69    HB   VAL   8           HB       VAL   8  -2.419   2.292   2.292
   70   1HG1  VAL   8          3HG1      VAL   8  -2.361   4.829   4.829
   71   2HG1  VAL   8          2HG1      VAL   8  -3.945   4.443   4.443
   72   3HG1  VAL   8          1HG1      VAL   8  -2.522   3.546   3.546
   73   1HG2  VAL   8          1HG2      VAL   8  -4.924   1.923   1.923
   74   2HG2  VAL   8          3HG2      VAL   8  -4.414   1.479   1.479
   75   3HG2  VAL   8          2HG2      VAL   8  -5.271   2.996   2.996
   76    H    ALA   9           H        ALA   9  -1.046   3.057   3.057
   77    HA   ALA   9           HA       ALA   9   0.524   5.386   5.386
   78   1HB   ALA   9          3HB       ALA   9   1.137   2.835   2.835
   79   2HB   ALA   9          2HB       ALA   9   1.366   3.318   3.318
   80   3HB   ALA   9          1HB       ALA   9   2.323   4.075   4.075
   81    H    LEU  10           H        LEU  10  -0.584   3.982   3.982
   82    HA   LEU  10           HA       LEU  10   0.428   6.031   6.031
   83   1HB   LEU  10          2HB       LEU  10  -1.879   4.082   4.082
   84   2HB   LEU  10          1HB       LEU  10  -1.521   5.189   5.189
   85    HG   LEU  10           HG       LEU  10   0.917   3.925   3.925
   86   1HD1  LEU  10          1HD1      LEU  10  -1.441   2.225   2.225
   87   2HD1  LEU  10          3HD1      LEU  10  -0.270   1.691   1.691
   88   3HD1  LEU  10          2HD1      LEU  10   0.209   1.841   1.841
   89   1HD2  LEU  10          3HD2      LEU  10  -0.575   4.508   4.508
   90   2HD2  LEU  10          2HD2      LEU  10   1.169   4.443   4.443
   91   3HD2  LEU  10          1HD2      LEU  10   0.272   2.964   2.964
   92    H    ILE  11           H        ILE  11  -2.643   5.756   5.756
   93    HA   ILE  11           HA       ILE  11  -3.955   8.014   8.014
   94    HB   ILE  11           HB       ILE  11  -5.295   7.902   7.902
   95   1HG1  ILE  11          2HG1      ILE  11  -4.003   6.122   6.122
   96   2HG1  ILE  11          1HG1      ILE  11  -2.767   7.282   7.282
   97   1HG2  ILE  11          1HG2      ILE  11  -4.576   5.648   5.648
   98   2HG2  ILE  11          3HG2      ILE  11  -4.605   5.095   5.095
   99   3HG2  ILE  11          2HG2      ILE  11  -6.035   5.849   5.849
  100   1HD1  ILE  11          3HD1      ILE  11  -5.379   8.501   8.501
  101   2HD1  ILE  11          2HD1      ILE  11  -4.633   7.707   7.707
  102   3HD1  ILE  11          1HD1      ILE  11  -3.769   8.986   8.986
  103    H    ASP  12           H        ASP  12  -1.294   7.707   7.707
  104    HA   ASP  12           HA       ASP  12  -1.269  10.482  10.482
  105   1HB   ASP  12          2HB       ASP  12  -0.091   8.020   8.020
  106   2HB   ASP  12          1HB       ASP  12   1.250   8.982   8.982
  107    H    VAL  13           H        VAL  13   0.079   8.541   8.541
  108    HA   VAL  13           HA       VAL  13   1.980  10.478  10.478
  109    HB   VAL  13           HB       VAL  13   0.530   8.276   8.276
  110   1HG1  VAL  13          3HG1      VAL  13   1.939   9.960   9.960
  111   2HG1  VAL  13          2HG1      VAL  13   3.324   9.388   9.388
  112   3HG1  VAL  13          1HG1      VAL  13   2.479   8.291   8.291
  113   1HG2  VAL  13          2HG2      VAL  13   1.685   7.675   7.675
  114   2HG2  VAL  13          1HG2      VAL  13   2.104   6.725   6.725
  115   3HG2  VAL  13          3HG2      VAL  13   3.189   7.994   7.994
  116    H    PHE  14           H        PHE  14  -1.053   9.452   9.452
  117    HA   PHE  14           HA       PHE  14  -1.253  11.573  11.573
  118   1HB   PHE  14          2HB       PHE  14  -3.200   9.772   9.772
  119   2HB   PHE  14          1HB       PHE  14  -3.855  11.373  11.373
  120    HD1  PHE  14           HD2      PHE  14  -4.029  12.318  12.318
  121    HD2  PHE  14           HD1      PHE  14  -2.372   8.399   8.399
  122    HE1  PHE  14           HE2      PHE  14  -4.077  11.959  11.959
  123    HE2  PHE  14           HE1      PHE  14  -2.473   8.045   8.045
  124    HZ   PHE  14           HZ       PHE  14  -3.308   9.822   9.822
  125    H    HIS  15           H        HIS  15  -2.344  11.556  11.556
  126    HA   HIS  15           HA       HIS  15  -3.498  14.038  14.038
  127   1HB   HIS  15          2HB       HIS  15  -3.197  12.547  12.547
  128   2HB   HIS  15          1HB       HIS  15  -1.446  12.531  12.531
  129    HD1  HIS  15           HD1      HIS  15  -3.913  15.433  15.433
  130    HD2  HIS  15           HD2      HIS  15  -0.431  13.998  13.998
  131    HE1  HIS  15           HE1      HIS  15  -3.261  17.131  17.131
  132    H    GLN  16           H        GLN  16   0.041  13.504  13.504
  133    HA   GLN  16           HA       GLN  16   0.667  16.325  16.325
  134   1HB   GLN  16          2HB       GLN  16   2.297  13.806  13.806
  135   2HB   GLN  16          1HB       GLN  16   2.974  15.418  15.418
  136   1HG   GLN  16          2HG       GLN  16   1.152  15.018  15.018
  137   2HG   GLN  16          1HG       GLN  16   2.043  13.504  13.504
  138   1HE2  GLN  16          2HE2      GLN  16   5.255  15.277  15.277
  139   2HE2  GLN  16          1HE2      GLN  16   4.592  14.213  14.213
  140    H    TYR  17           H        TYR  17   1.696  13.779  13.779
  141    HA   TYR  17           HA       TYR  17   2.435  15.183  15.183
  142   1HB   TYR  17          2HB       TYR  17   0.760  12.683  12.683
  143   2HB   TYR  17          1HB       TYR  17   1.379  13.214  13.214
  144    HD1  TYR  17           HD2      TYR  17   3.784  13.233  13.233
  145    HD2  TYR  17           HD1      TYR  17   2.265  11.920  11.920
  146    HE1  TYR  17           HE2      TYR  17   5.987  12.242  12.242
  147    HE2  TYR  17           HE1      TYR  17   4.452  10.919  10.919
  148    HH   TYR  17           HH       TYR  17   7.268  11.627  11.627
  149    H    SER  18           H        SER  18  -0.945  14.003  14.003
  150    HA   SER  18           HA       SER  18  -1.805  15.967  15.967
  151   1HB   SER  18          2HB       SER  18  -3.749  14.662  14.662
  152   2HB   SER  18          1HB       SER  18  -2.535  13.493  13.493
  153    HG   SER  18           HG       SER  18  -4.314  14.981  14.981
  154    H    GLY  19           H        GLY  19  -1.182  16.357  16.357
  155   1HA   GLY  19          2HA       GLY  19  -3.199  18.536  18.536
  156   2HA   GLY  19          1HA       GLY  19  -3.137  17.365  17.365
  157    H    ARG  20           H        ARG  20  -0.259  18.490  18.490
  158    HA   ARG  20           HA       ARG  20   0.597  19.827  19.827
  159   1HB   ARG  20          2HB       ARG  20   2.868  19.198  19.198
  160   2HB   ARG  20          1HB       ARG  20   1.833  17.769  17.769
  161   1HG   ARG  20          2HG       ARG  20   1.518  17.957  17.957
  162   2HG   ARG  20          1HG       ARG  20   2.473  19.440  19.440
  163   1HD   ARG  20          2HD       ARG  20   3.579  16.804  16.804
  164   2HD   ARG  20          1HD       ARG  20   3.770  17.356  17.356
  165    HE   ARG  20           HE       ARG  20   4.524  19.309  19.309
  166   1HH1  ARG  20          2HH1      ARG  20   5.813  16.439  16.439
  167   2HH1  ARG  20          1HH1      ARG  20   7.302  17.125  17.125
  168   1HH2  ARG  20          1HH2      ARG  20   6.296  20.401  20.401
  169   2HH2  ARG  20          2HH2      ARG  20   7.575  19.369  19.369
  170    H    GLU  21           H        GLU  21   0.322  20.129  20.129
  171    HA   GLU  21           HA       GLU  21   0.319  23.000  23.000
  172   1HB   GLU  21          2HB       GLU  21   2.719  22.406  22.406
  173   2HB   GLU  21          1HB       GLU  21   2.870  21.738  21.738
  174   1HG   GLU  21          2HG       GLU  21   3.600  23.892  23.892
  175   2HG   GLU  21          1HG       GLU  21   1.871  24.113  24.113
  176    H    GLY  22           H        GLY  22   0.851  20.041  20.041
  177   1HA   GLY  22          2HA       GLY  22   0.561  21.154  21.154
  178   2HA   GLY  22          1HA       GLY  22   0.274  19.465  19.465
  179    H    ASP  23           H        ASP  23  -1.697  19.008  19.008
  180    HA   ASP  23           HA       ASP  23  -3.867  20.924  20.924
  181   1HB   ASP  23          2HB       ASP  23  -3.756  17.901  17.901
  182   2HB   ASP  23          1HB       ASP  23  -5.088  18.921  18.921
  183    H    LYS  24           H        LYS  24  -6.073  19.351  19.351
  184    HA   LYS  24           HA       LYS  24  -5.891  19.700  19.700
  185   1HB   LYS  24          2HB       LYS  24  -7.966  19.667  19.667
  186   2HB   LYS  24          1HB       LYS  24  -8.475  19.062  19.062
  187   1HG   LYS  24          2HG       LYS  24  -7.803  21.115  21.115
  188   2HG   LYS  24          1HG       LYS  24  -7.058  21.709  21.709
  189   1HD   LYS  24          2HD       LYS  24  -9.510  21.288  21.288
  190   2HD   LYS  24          1HD       LYS  24  -9.949  21.530  21.530
  191   1HE   LYS  24          2HE       LYS  24  -9.002  23.724  23.724
  192   2HE   LYS  24          1HE       LYS  24  -8.155  23.463  23.463
  193   1HZ   LYS  24          2HZ       LYS  24 -11.051  23.049  23.049
  194   2HZ   LYS  24          1HZ       LYS  24 -10.490  24.652  24.652
  195   3HZ   LYS  24          3HZ       LYS  24 -10.066  23.619  23.619
  196    H    HIS  25           H        HIS  25  -7.140  17.201  17.201
  197    HA   HIS  25           HA       HIS  25  -6.264  15.144  15.144
  198   1HB   HIS  25          2HB       HIS  25  -8.919  15.953  15.953
  199   2HB   HIS  25          1HB       HIS  25  -8.658  14.299  14.299
  200    HD1  HIS  25           HD1      HIS  25 -10.590  14.311  14.311
  201    HD2  HIS  25           HD2      HIS  25  -6.509  14.462  14.462
  202    HE1  HIS  25           HE1      HIS  25 -10.323  13.515  13.515
  203    H    LYS  26           H        LYS  26  -4.631  15.588  15.588
  204    HA   LYS  26           HA       LYS  26  -4.960  13.143  13.143
  205   1HB   LYS  26          2HB       LYS  26  -6.152  15.161  15.161
  206   2HB   LYS  26          1HB       LYS  26  -4.533  15.793  15.793
  207   1HG   LYS  26          2HG       LYS  26  -5.138  12.961  12.961
  208   2HG   LYS  26          1HG       LYS  26  -5.744  14.259  14.259
  209   1HD   LYS  26          2HD       LYS  26  -2.890  14.381  14.381
  210   2HD   LYS  26          1HD       LYS  26  -3.320  13.226  13.226
  211   1HE   LYS  26          2HE       LYS  26  -3.802  16.223  16.223
  212   2HE   LYS  26          1HE       LYS  26  -2.701  15.303  15.303
  213   1HZ   LYS  26          1HZ       LYS  26  -4.948  13.928  13.928
  214   2HZ   LYS  26          3HZ       LYS  26  -5.608  15.467  15.467
  215   3HZ   LYS  26          2HZ       LYS  26  -4.508  15.226  15.226
  216    H    LEU  27           H        LEU  27  -2.926  12.513  12.513
  217    HA   LEU  27           HA       LEU  27  -0.560  13.903  13.903
  218   1HB   LEU  27          2HB       LEU  27  -1.451  11.156  11.156
  219   2HB   LEU  27          1HB       LEU  27   0.151  11.369  11.369
  220    HG   LEU  27           HG       LEU  27   0.244  10.804  10.804
  221   1HD1  LEU  27          3HD1      LEU  27   1.876  12.373  12.373
  222   2HD1  LEU  27          2HD1      LEU  27   1.135  13.651  13.651
  223   3HD1  LEU  27          1HD1      LEU  27   1.963  12.310  12.310
  224   1HD2  LEU  27          3HD2      LEU  27  -1.698  12.990  12.990
  225   2HD2  LEU  27          2HD2      LEU  27  -1.388  11.726  11.726
  226   3HD2  LEU  27          1HD2      LEU  27  -0.400  13.186  13.186
  227    H    LYS  28           H        LYS  28   1.305  14.221  14.221
  228    HA   LYS  28           HA       LYS  28   0.790  13.839  13.839
  229   1HB   LYS  28          2HB       LYS  28   0.412  16.213  16.213
  230   2HB   LYS  28          1HB       LYS  28   2.061  16.383  16.383
  231   1HG   LYS  28          2HG       LYS  28   1.353  15.995  15.995
  232   2HG   LYS  28          1HG       LYS  28  -0.271  15.549  15.549
  233   1HD   LYS  28          2HD       LYS  28  -0.342  17.835  17.835
  234   2HD   LYS  28          1HD       LYS  28  -0.524  17.864  17.864
  235   1HE   LYS  28          2HE       LYS  28   2.287  17.964  17.964
  236   2HE   LYS  28          1HE       LYS  28   1.335  19.349  19.349
  237   1HZ   LYS  28          2HZ       LYS  28   0.897  18.387  18.387
  238   2HZ   LYS  28          1HZ       LYS  28   2.298  19.298  19.298
  239   3HZ   LYS  28          3HZ       LYS  28   0.771  19.963  19.963
  240    H    LYS  29           H        LYS  29   2.837  14.087  14.087
  241    HA   LYS  29           HA       LYS  29   4.996  12.568  12.568
  242   1HB   LYS  29          2HB       LYS  29   4.647  14.979  14.979
  243   2HB   LYS  29          1HB       LYS  29   6.269  14.319  14.319
  244   1HG   LYS  29          2HG       LYS  29   5.758  12.325  12.325
  245   2HG   LYS  29          1HG       LYS  29   4.046  12.422  12.422
  246   1HD   LYS  29          2HD       LYS  29   4.141  12.861  12.861
  247   2HD   LYS  29          1HD       LYS  29   3.944  14.442  14.442
  248   1HE   LYS  29          2HE       LYS  29   6.761  13.702  13.702
  249   2HE   LYS  29          1HE       LYS  29   5.968  13.749  13.749
  250   1HZ   LYS  29          2HZ       LYS  29   4.870  15.874  15.874
  251   2HZ   LYS  29          1HZ       LYS  29   6.267  15.885  15.885
  252   3HZ   LYS  29          3HZ       LYS  29   6.404  15.962  15.962
  253    H    SER  30           H        SER  30   4.803  16.133  16.133
  254    HA   SER  30           HA       SER  30   7.197  16.589  16.589
  255   1HB   SER  30          2HB       SER  30   4.541  17.792  17.792
  256   2HB   SER  30          1HB       SER  30   5.273  18.141  18.141
  257    HG   SER  30           HG       SER  30   6.318  19.598  19.598
  258    H    GLU  31           H        GLU  31   4.028  15.822  15.822
  259    HA   GLU  31           HA       GLU  31   5.056  15.414  15.414
  260   1HB   GLU  31          2HB       GLU  31   2.661  14.021  14.021
  261   2HB   GLU  31          1HB       GLU  31   2.865  14.565  14.565
  262   1HG   GLU  31          2HG       GLU  31   3.212  16.911  16.911
  263   2HG   GLU  31          1HG       GLU  31   2.024  16.092  16.092
  264    H    LEU  32           H        LEU  32   4.376  13.174  13.174
  265    HA   LEU  32           HA       LEU  32   5.026  10.721  10.721
  266   1HB   LEU  32          2HB       LEU  32   4.605  11.830  11.830
  267   2HB   LEU  32          1HB       LEU  32   6.046  10.816  10.816
  268    HG   LEU  32           HG       LEU  32   4.143   9.405   9.405
  269   1HD1  LEU  32          3HD1      LEU  32   5.784   9.087   9.087
  270   2HD1  LEU  32          2HD1      LEU  32   4.217   8.310   8.310
  271   3HD1  LEU  32          1HD1      LEU  32   5.236   7.862   7.862
  272   1HD2  LEU  32          3HD2      LEU  32   2.520  11.012  11.012
  273   2HD2  LEU  32          2HD2      LEU  32   2.200   9.295   9.295
  274   3HD2  LEU  32          1HD2      LEU  32   2.976  10.235  10.235
  275    H    LYS  33           H        LYS  33   7.243  12.846  12.846
  276    HA   LYS  33           HA       LYS  33   9.654  11.506  11.506
  277   1HB   LYS  33          2HB       LYS  33   8.712  14.206  14.206
  278   2HB   LYS  33          1HB       LYS  33  10.184  14.240  14.240
  279   1HG   LYS  33          2HG       LYS  33   9.836  12.736  12.736
  280   2HG   LYS  33          1HG       LYS  33  10.718  14.251  14.251
  281   1HD   LYS  33          2HD       LYS  33  12.545  13.184  13.184
  282   2HD   LYS  33          1HD       LYS  33  11.584  12.237  12.237
  283   1HE   LYS  33          2HE       LYS  33  11.766  10.416  10.416
  284   2HE   LYS  33          1HE       LYS  33  11.077  11.319  11.319
  285   1HZ   LYS  33          2HZ       LYS  33  13.869  11.706  11.706
  286   2HZ   LYS  33          1HZ       LYS  33  13.459  10.550  10.550
  287   3HZ   LYS  33          3HZ       LYS  33  13.166  12.196  12.196
  288    H    GLU  34           H        GLU  34   8.525  14.083  14.083
  289    HA   GLU  34           HA       GLU  34  10.388  13.568  13.568
  290   1HB   GLU  34          2HB       GLU  34   7.469  14.373  14.373
  291   2HB   GLU  34          1HB       GLU  34   8.779  14.790  14.790
  292   1HG   GLU  34          2HG       GLU  34   9.543  15.593  15.593
  293   2HG   GLU  34          1HG       GLU  34   7.930  16.227  16.227
  294    H    LEU  35           H        LEU  35   7.312  12.084  12.084
  295    HA   LEU  35           HA       LEU  35   6.919  10.473  10.473
  296   1HB   LEU  35          2HB       LEU  35   5.439  11.136  11.136
  297   2HB   LEU  35          1HB       LEU  35   6.134   9.700   9.700
  298    HG   LEU  35           HG       LEU  35   5.329   9.050   9.050
  299   1HD1  LEU  35          2HD1      LEU  35   3.629  10.988  10.988
  300   2HD1  LEU  35          1HD1      LEU  35   2.771   9.468   9.468
  301   3HD1  LEU  35          3HD1      LEU  35   3.465  10.299  10.299
  302   1HD2  LEU  35          1HD2      LEU  35   5.613   7.563   7.563
  303   2HD2  LEU  35          3HD2      LEU  35   4.066   7.338   7.338
  304   3HD2  LEU  35          2HD2      LEU  35   4.139   8.271   8.271
  305    H    ILE  36           H        ILE  36   9.005  10.109  10.109
  306    HA   ILE  36           HA       ILE  36   9.475   7.251   7.251
  307    HB   ILE  36           HB       ILE  36  10.230   9.304   9.304
  308   1HG1  ILE  36          2HG1      ILE  36   9.512   6.685   6.685
  309   2HG1  ILE  36          1HG1      ILE  36   8.351   7.197   7.197
  310   1HG2  ILE  36          1HG2      ILE  36  11.840   6.957   6.957
  311   2HG2  ILE  36          3HG2      ILE  36  11.468   7.048   7.048
  312   3HG2  ILE  36          2HG2      ILE  36  12.307   8.382   8.382
  313   1HD1  ILE  36          2HD1      ILE  36   8.604   9.505   9.505
  314   2HD1  ILE  36          1HD1      ILE  36   8.890   8.334   8.334
  315   3HD1  ILE  36          3HD1      ILE  36   7.387   8.284   8.284
  316    H    ASN  37           H        ASN  37  11.252  10.351  10.351
  317    HA   ASN  37           HA       ASN  37  13.659   9.032   9.032
  318   1HB   ASN  37          2HB       ASN  37  13.078  11.964  11.964
  319   2HB   ASN  37          1HB       ASN  37  14.645  11.155  11.155
  320   1HD2  ASN  37          2HD2      ASN  37  14.152   9.879   9.879
  321   2HD2  ASN  37          1HD2      ASN  37  14.779   9.396   9.396
  322    H    ASN  38           H        ASN  38  10.793  10.380  10.380
  323    HA   ASN  38           HA       ASN  38  12.085  11.224  11.224
  324   1HB   ASN  38          2HB       ASN  38   9.240  11.088  11.088
  325   2HB   ASN  38          1HB       ASN  38   9.660  11.689  11.689
  326   1HD2  ASN  38          2HD2      ASN  38  10.081  14.891  14.891
  327   2HD2  ASN  38          1HD2      ASN  38   9.318  13.934  13.934
  328    H    GLU  39           H        GLU  39  10.903   8.361   8.361
  329    HA   GLU  39           HA       GLU  39  10.680   7.079   7.079
  330   1HB   GLU  39          2HB       GLU  39   8.931   6.866   6.866
  331   2HB   GLU  39          1HB       GLU  39   8.805   5.778   5.778
  332   1HG   GLU  39          2HG       GLU  39   7.559   7.281   7.281
  333   2HG   GLU  39          1HG       GLU  39   8.855   8.468   8.468
  334    H    LEU  40           H        LEU  40  10.783   6.266   6.266
  335    HA   LEU  40           HA       LEU  40  12.145   3.734   3.734
  336   1HB   LEU  40          2HB       LEU  40  11.534   5.368   5.368
  337   2HB   LEU  40          1HB       LEU  40  12.204   3.735   3.735
  338    HG   LEU  40           HG       LEU  40   9.532   4.581   4.581
  339   1HD1  LEU  40          3HD1      LEU  40   9.936   4.181   4.181
  340   2HD1  LEU  40          2HD1      LEU  40  10.057   2.480   2.480
  341   3HD1  LEU  40          1HD1      LEU  40   8.571   3.372   3.372
  342   1HD2  LEU  40          1HD2      LEU  40  11.197   2.118   2.118
  343   2HD2  LEU  40          3HD2      LEU  40  10.109   2.906   2.906
  344   3HD2  LEU  40          2HD2      LEU  40   9.452   1.919   1.919
  345    H    SER  41           H        SER  41  13.834   5.255   5.255
  346    HA   SER  41           HA       SER  41  15.765   6.831   6.831
  347   1HB   SER  41          2HB       SER  41  15.381   5.409   5.409
  348   2HB   SER  41          1HB       SER  41  17.058   5.252   5.252
  349    HG   SER  41           HG       SER  41  17.318   7.373   7.373
  350    H    HIS  42           H        HIS  42  15.646   3.276   3.276
  351    HA   HIS  42           HA       HIS  42  18.155   2.544   2.544
  352   1HB   HIS  42          2HB       HIS  42  15.439   1.355   1.355
  353   2HB   HIS  42          1HB       HIS  42  16.981   0.509   0.509
  354    HD1  HIS  42           HD1      HIS  42  15.280  -0.897  -0.897
  355    HD2  HIS  42           HD2      HIS  42  17.399   2.475   2.475
  356    HE1  HIS  42           HE1      HIS  42  15.442  -1.035  -1.035
  357    H    PHE  43           H        PHE  43  15.295   3.530   3.530
  358    HA   PHE  43           HA       PHE  43  16.644   3.145   3.145
  359   1HB   PHE  43          2HB       PHE  43  14.087   4.407   4.407
  360   2HB   PHE  43          1HB       PHE  43  14.580   4.559   4.559
  361    HD1  PHE  43           HD1      PHE  43  15.942   1.768   1.768
  362    HD2  PHE  43           HD2      PHE  43  12.171   3.073   3.073
  363    HE1  PHE  43           HE1      PHE  43  14.946  -0.458  -0.458
  364    HE2  PHE  43           HE2      PHE  43  11.198   0.844   0.844
  365    HZ   PHE  43           HZ       PHE  43  12.587  -0.922  -0.922
  366    H    LEU  44           H        LEU  44  16.704   5.625   5.625
  367    HA   LEU  44           HA       LEU  44  16.935   8.028   8.028
  368   1HB   LEU  44          2HB       LEU  44  17.284   7.323   7.323
  369   2HB   LEU  44          1HB       LEU  44  18.986   7.230   7.230
  370    HG   LEU  44           HG       LEU  44  18.713   9.573   9.573
  371   1HD1  LEU  44          3HD1      LEU  44  16.013   9.002   9.002
  372   2HD1  LEU  44          2HD1      LEU  44  16.534  10.294  10.294
  373   3HD1  LEU  44          1HD1      LEU  44  16.664  10.502  10.502
  374   1HD2  LEU  44          3HD2      LEU  44  18.582   8.831   8.831
  375   2HD2  LEU  44          2HD2      LEU  44  19.898   9.581   9.581
  376   3HD2  LEU  44          1HD2      LEU  44  18.493  10.539  10.539
  377    H    GLU  45           H        GLU  45  19.058   5.300   5.300
  378    HA   GLU  45           HA       GLU  45  21.221   6.533   6.533
  379   1HB   GLU  45          2HB       GLU  45  20.643   4.136   4.136
  380   2HB   GLU  45          1HB       GLU  45  21.712   3.838   3.838
  381   1HG   GLU  45          2HG       GLU  45  23.357   4.572   4.572
  382   2HG   GLU  45          1HG       GLU  45  22.743   6.179   6.179
  383    H    GLU  46           H        GLU  46  18.530   4.280   4.280
  384    HA   GLU  46           HA       GLU  46  17.461   3.402   3.402
  385   1HB   GLU  46          2HB       GLU  46  18.104   5.922   5.922
  386   2HB   GLU  46          1HB       GLU  46  19.224   5.167   5.167
  387   1HG   GLU  46          2HG       GLU  46  17.462   5.103   5.103
  388   2HG   GLU  46          1HG       GLU  46  16.895   3.755   3.755
  389    H    ILE  47           H        ILE  47  20.920   4.065   4.065
  390    HA   ILE  47           HA       ILE  47  21.435   1.985   1.985
  391    HB   ILE  47           HB       ILE  47  22.925   3.837   3.837
  392   1HG1  ILE  47          2HG1      ILE  47  24.994   2.377   2.377
  393   2HG1  ILE  47          1HG1      ILE  47  23.905   0.997   0.997
  394   1HG2  ILE  47          2HG2      ILE  47  22.400   2.543   2.543
  395   2HG2  ILE  47          1HG2      ILE  47  24.000   1.921   1.921
  396   3HG2  ILE  47          3HG2      ILE  47  23.744   3.660   3.660
  397   1HD1  ILE  47          2HD1      ILE  47  23.450   3.366   3.366
  398   2HD1  ILE  47          1HD1      ILE  47  24.777   2.270   2.270
  399   3HD1  ILE  47          3HD1      ILE  47  23.124   1.660   1.660
  400    H    LYS  48           H        LYS  48  20.712   1.830   1.830
  401    HA   LYS  48           HA       LYS  48  21.689  -0.596  -0.596
  402   1HB   LYS  48          2HB       LYS  48  18.856   0.528   0.528
  403   2HB   LYS  48          1HB       LYS  48  19.535  -0.683  -0.683
  404   1HG   LYS  48          2HG       LYS  48  20.460   2.178   2.178
  405   2HG   LYS  48          1HG       LYS  48  19.756   1.456   1.456
  406   1HD   LYS  48          2HD       LYS  48  21.758  -0.210  -0.210
  407   2HD   LYS  48          1HD       LYS  48  22.484   1.029   1.029
  408   1HE   LYS  48          2HE       LYS  48  23.216   1.891   1.891
  409   2HE   LYS  48          1HE       LYS  48  21.566   2.541   2.541
  410   1HZ   LYS  48          3HZ       LYS  48  22.334  -0.178  -0.178
  411   2HZ   LYS  48          2HZ       LYS  48  22.231   1.166   1.166
  412   3HZ   LYS  48          1HZ       LYS  48  20.844   0.598   0.598
  413    H    GLU  49           H        GLU  49  19.381   0.044   0.044
  414    HA   GLU  49           HA       GLU  49  19.337  -2.812  -2.812
  415   1HB   GLU  49          2HB       GLU  49  16.713  -2.318  -2.318
  416   2HB   GLU  49          1HB       GLU  49  17.447  -2.920  -2.920
  417   1HG   GLU  49          2HG       GLU  49  17.515   0.027   0.027
  418   2HG   GLU  49          1HG       GLU  49  15.899  -0.661  -0.661
  419    H    GLN  50           H        GLN  50  20.467  -1.965  -1.965
  420    HA   GLN  50           HA       GLN  50  19.824   0.175   0.175
  421   1HB   GLN  50          2HB       GLN  50  20.898  -2.585  -2.585
  422   2HB   GLN  50          1HB       GLN  50  20.480  -1.685  -1.685
  423   1HG   GLN  50          2HG       GLN  50  21.964  -0.101  -0.101
  424   2HG   GLN  50          1HG       GLN  50  22.872  -1.468  -1.468
  425   1HE2  GLN  50          2HE2      GLN  50  22.470  -0.181  -0.181
  426   2HE2  GLN  50          1HE2      GLN  50  22.175  -1.638  -1.638
  427    H    GLU  51           H        GLU  51  18.606  -3.128  -3.128
  428    HA   GLU  51           HA       GLU  51  16.713  -2.576  -2.576
  429   1HB   GLU  51          2HB       GLU  51  17.321  -4.802  -4.802
  430   2HB   GLU  51          1HB       GLU  51  16.497  -4.461  -4.461
  431   1HG   GLU  51          2HG       GLU  51  14.482  -3.902  -3.902
  432   2HG   GLU  51          1HG       GLU  51  15.348  -5.064  -5.064
  433    H    VAL  52           H        VAL  52  16.359  -2.030  -2.030
  434    HA   VAL  52           HA       VAL  52  13.524  -1.393  -1.393
  435    HB   VAL  52           HB       VAL  52  15.715  -0.876  -0.876
  436   1HG1  VAL  52          1HG1      VAL  52  12.841  -0.119  -0.119
  437   2HG1  VAL  52          3HG1      VAL  52  13.411  -0.820  -0.820
  438   3HG1  VAL  52          2HG1      VAL  52  14.176   0.634   0.634
  439   1HG2  VAL  52          1HG2      VAL  52  13.579  -2.997  -2.997
  440   2HG2  VAL  52          3HG2      VAL  52  15.325  -3.227  -3.227
  441   3HG2  VAL  52          2HG2      VAL  52  14.417  -2.738  -2.738
  442    H    VAL  53           H        VAL  53  16.534   0.508   0.508
  443    HA   VAL  53           HA       VAL  53  15.537   3.122   3.122
  444    HB   VAL  53           HB       VAL  53  17.767   1.893   1.893
  445   1HG1  VAL  53          3HG1      VAL  53  16.807   4.313   4.313
  446   2HG1  VAL  53          2HG1      VAL  53  17.777   4.761   4.761
  447   3HG1  VAL  53          1HG1      VAL  53  18.542   4.005   4.005
  448   1HG2  VAL  53          3HG2      VAL  53  17.462   2.200   2.200
  449   2HG2  VAL  53          2HG2      VAL  53  18.961   1.850   1.850
  450   3HG2  VAL  53          1HG2      VAL  53  18.529   3.517   3.517
  451    H    ASP  54           H        ASP  54  15.612   0.783   0.783
  452    HA   ASP  54           HA       ASP  54  14.625   2.542   2.542
  453   1HB   ASP  54          2HB       ASP  54  15.817   0.644   0.644
  454   2HB   ASP  54          1HB       ASP  54  15.037  -0.403  -0.403
  455    H    LYS  55           H        LYS  55  13.193   0.160   0.160
  456    HA   LYS  55           HA       LYS  55  10.482   0.510   0.510
  457   1HB   LYS  55          2HB       LYS  55  11.911  -0.881  -0.881
  458   2HB   LYS  55          1HB       LYS  55  10.156  -0.720  -0.720
  459   1HG   LYS  55          2HG       LYS  55  10.327  -2.710  -2.710
  460   2HG   LYS  55          1HG       LYS  55  10.273  -1.556  -1.556
  461   1HD   LYS  55          2HD       LYS  55  12.767  -1.530  -1.530
  462   2HD   LYS  55          1HD       LYS  55  12.758  -2.789  -2.789
  463   1HE   LYS  55          2HE       LYS  55  11.291  -3.131  -3.131
  464   2HE   LYS  55          1HE       LYS  55  12.985  -3.618  -3.618
  465   1HZ   LYS  55          1HZ       LYS  55  12.127  -4.728  -4.728
  466   2HZ   LYS  55          3HZ       LYS  55  10.593  -4.609  -4.609
  467   3HZ   LYS  55          2HZ       LYS  55  11.818  -5.500  -5.500
  468    H    VAL  56           H        VAL  56  11.877   1.216   1.216
  469    HA   VAL  56           HA       VAL  56   9.898   2.756   2.756
  470    HB   VAL  56           HB       VAL  56  12.909   2.984   2.984
  471   1HG1  VAL  56          3HG1      VAL  56  11.012   4.987   4.987
  472   2HG1  VAL  56          2HG1      VAL  56  11.961   4.357   4.357
  473   3HG1  VAL  56          1HG1      VAL  56  12.773   5.064   5.064
  474   1HG2  VAL  56          1HG2      VAL  56  11.466   1.107   1.107
  475   2HG2  VAL  56          3HG2      VAL  56  12.786   1.831   1.831
  476   3HG2  VAL  56          2HG2      VAL  56  11.124   2.339   2.339
  477    H    MET  57           H        MET  57  12.469   4.086   4.086
  478    HA   MET  57           HA       MET  57  11.255   6.716   6.716
  479   1HB   MET  57          2HB       MET  57  13.266   5.266   5.266
  480   2HB   MET  57          1HB       MET  57  12.962   7.004   7.004
  481   1HG   MET  57          2HG       MET  57  13.449   6.885   6.885
  482   2HG   MET  57          1HG       MET  57  14.234   5.358   5.358
  483   1HE   MET  57          2HE       MET  57  14.102   8.798   8.798
  484   2HE   MET  57          1HE       MET  57  15.751   8.673   8.673
  485   3HE   MET  57          3HE       MET  57  15.418   9.584   9.584
  486    H    GLU  58           H        GLU  58  11.146   3.816   3.816
  487    HA   GLU  58           HA       GLU  58   9.883   4.802   4.802
  488   1HB   GLU  58          2HB       GLU  58  10.477   2.575   2.575
  489   2HB   GLU  58          1HB       GLU  58   9.916   2.256   2.256
  490   1HG   GLU  58          2HG       GLU  58   8.511   1.195   1.195
  491   2HG   GLU  58          1HG       GLU  58   7.611   2.233   2.233
  492    H    THR  59           H        THR  59   8.053   3.175   3.175
  493    HA   THR  59           HA       THR  59   5.494   4.076   4.076
  494    HB   THR  59           HB       THR  59   6.658   3.482   3.482
  495    HG1  THR  59           HG1      THR  59   5.658   1.957   1.957
  496   1HG2  THR  59          3HG2      THR  59   3.798   3.566   3.566
  497   2HG2  THR  59          2HG2      THR  59   4.290   2.896   2.896
  498   3HG2  THR  59          1HG2      THR  59   4.520   4.613   4.613
  499    H    LEU  60           H        LEU  60   7.636   5.518   5.518
  500    HA   LEU  60           HA       LEU  60   6.071   7.703   7.703
  501   1HB   LEU  60          2HB       LEU  60   8.703   6.816   6.816
  502   2HB   LEU  60          1HB       LEU  60   8.855   8.428   8.428
  503    HG   LEU  60           HG       LEU  60   7.369   7.660   7.660
  504   1HD1  LEU  60          1HD1      LEU  60   9.839   9.258   9.258
  505   2HD1  LEU  60          3HD1      LEU  60   8.943   9.553   9.553
  506   3HD1  LEU  60          2HD1      LEU  60   9.642   7.963   7.963
  507   1HD2  LEU  60          3HD2      LEU  60   7.392  10.243  10.243
  508   2HD2  LEU  60          2HD2      LEU  60   5.988   9.282   9.282
  509   3HD2  LEU  60          1HD2      LEU  60   6.900  10.163  10.163
  510    H    ASP  61           H        ASP  61   8.070   7.341   7.341
  511    HA   ASP  61           HA       ASP  61   7.989   9.989   9.989
  512   1HB   ASP  61          2HB       ASP  61   8.692   7.386   7.386
  513   2HB   ASP  61          1HB       ASP  61   7.576   8.013   8.013
  514    H    SER  62           H        SER  62   5.671   7.322   7.322
  515    HA   SER  62           HA       SER  62   3.683   9.162   9.162
  516   1HB   SER  62          2HB       SER  62   2.577   6.612   6.612
  517   2HB   SER  62          1HB       SER  62   3.284   7.211   7.211
  518    HG   SER  62           HG       SER  62   4.157   5.247   5.247
  519    H    ASP  63           H        ASP  63   3.639   6.721   6.721
  520    HA   ASP  63           HA       ASP  63   2.165   6.593   6.593
  521   1HB   ASP  63          2HB       ASP  63   4.370   7.844   7.844
  522   2HB   ASP  63          1HB       ASP  63   3.401   9.316   9.316
  523    H    GLY  64           H        GLY  64  -0.075   6.899   6.899
  524   1HA   GLY  64          2HA       GLY  64  -2.136   8.017   8.017
  525   2HA   GLY  64          1HA       GLY  64  -1.336   9.267   9.267
  526    H    ASP  65           H        ASP  65   0.371  10.498  10.498
  527    HA   ASP  65           HA       ASP  65   0.775  11.754  11.754
  528   1HB   ASP  65          2HB       ASP  65  -0.507   9.663   9.663
  529   2HB   ASP  65          1HB       ASP  65  -1.825  10.825  10.825
  530    H    GLY  66           H        GLY  66   0.295  13.397  13.397
  531   1HA   GLY  66          2HA       GLY  66  -0.700  15.494  15.494
  532   2HA   GLY  66          1HA       GLY  66  -1.851  15.168  15.168
  533    H    GLU  67           H        GLU  67  -1.808  12.481  12.481
  534    HA   GLU  67           HA       GLU  67  -3.762  13.538  13.538
  535   1HB   GLU  67          2HB       GLU  67  -4.996  13.062  13.062
  536   2HB   GLU  67          1HB       GLU  67  -4.377  11.410  11.410
  537   1HG   GLU  67          2HG       GLU  67  -5.608  10.843  10.843
  538   2HG   GLU  67          1HG       GLU  67  -5.900  12.533  12.533
  539    H    CYS  68           H        CYS  68  -1.768  12.740  12.740
  540    HA   CYS  68           HA       CYS  68  -1.607   9.780   9.780
  541   1HB   CYS  68          2HB       CYS  68   0.123  12.016  12.016
  542   2HB   CYS  68          1HB       CYS  68  -0.090  11.291  11.291
  543    HG   CYS  68           HG       CYS  68   1.869  10.093  10.093
  544    H    ASP  69           H        ASP  69  -3.875   9.687   9.687
  545    HA   ASP  69           HA       ASP  69  -4.507  10.998  10.998
  546   1HB   ASP  69          2HB       ASP  69  -5.939   9.184   9.184
  547   2HB   ASP  69          1HB       ASP  69  -6.675   9.765   9.765
  548    H    PHE  70           H        PHE  70  -5.864   9.597   9.597
  549    HA   PHE  70           HA       PHE  70  -4.699   8.195   8.195
  550   1HB   PHE  70          2HB       PHE  70  -7.280   7.823   7.823
  551   2HB   PHE  70          1HB       PHE  70  -6.870   6.697   6.697
  552    HD1  PHE  70           HD2      PHE  70  -5.586  10.135  10.135
  553    HD2  PHE  70           HD1      PHE  70  -8.598   7.539   7.539
  554    HE1  PHE  70           HE2      PHE  70  -6.100  11.829  11.829
  555    HE2  PHE  70           HE1      PHE  70  -9.113   9.248   9.248
  556    HZ   PHE  70           HZ       PHE  70  -7.840  11.390  11.390
  557    H    GLN  71           H        GLN  71  -6.213   5.986   5.986
  558    HA   GLN  71           HA       GLN  71  -4.494   3.819   3.819
  559   1HB   GLN  71          2HB       GLN  71  -5.603   2.678   2.678
  560   2HB   GLN  71          1HB       GLN  71  -6.783   3.793   3.793
  561   1HG   GLN  71          2HG       GLN  71  -7.066   4.455   4.455
  562   2HG   GLN  71          1HG       GLN  71  -5.603   5.393   5.393
  563   1HE2  GLN  71          2HE2      GLN  71  -4.514   3.634   3.634
  564   2HE2  GLN  71          1HE2      GLN  71  -5.236   5.078   5.078
  565    H    GLU  72           H        GLU  72  -3.910   6.540   6.540
  566    HA   GLU  72           HA       GLU  72  -1.956   5.256   5.256
  567   1HB   GLU  72          2HB       GLU  72  -2.177   8.198   8.198
  568   2HB   GLU  72          1HB       GLU  72  -1.761   7.433   7.433
  569   1HG   GLU  72          2HG       GLU  72  -4.258   6.383   6.383
  570   2HG   GLU  72          1HG       GLU  72  -4.394   8.057   8.057
  571    H    PHE  73           H        PHE  73  -1.816   7.259   7.259
  572    HA   PHE  73           HA       PHE  73   1.041   7.427   7.427
  573   1HB   PHE  73          2HB       PHE  73   0.159   8.925   8.925
  574   2HB   PHE  73          1HB       PHE  73  -1.294   7.970   7.970
  575    HD1  PHE  73           HD2      PHE  73   2.362   7.771   7.771
  576    HD2  PHE  73           HD1      PHE  73  -1.669   7.087   7.087
  577    HE1  PHE  73           HE2      PHE  73   3.186   7.009   7.009
  578    HE2  PHE  73           HE1      PHE  73  -0.840   6.350   6.350
  579    HZ   PHE  73           HZ       PHE  73   1.589   6.301   6.301
  580    H    MET  74           H        MET  74  -1.296   5.090   5.090
  581    HA   MET  74           HA       MET  74   0.760   3.415   3.415
  582   1HB   MET  74          2HB       MET  74  -2.147   2.893   2.893
  583   2HB   MET  74          1HB       MET  74  -1.179   1.952   1.952
  584   1HG   MET  74          2HG       MET  74  -0.858   4.032   4.032
  585   2HG   MET  74          1HG       MET  74  -1.979   4.860   4.860
  586   1HE   MET  74          1HE       MET  74  -1.835   1.207   1.207
  587   2HE   MET  74          3HE       MET  74  -1.432   2.198   2.198
  588   3HE   MET  74          2HE       MET  74  -2.923   1.261   1.261
  589    H    ALA  75           H        ALA  75  -0.720   3.754   3.754
  590    HA   ALA  75           HA       ALA  75  -0.347   1.115   1.115
  591   1HB   ALA  75          2HB       ALA  75  -0.617   3.915   3.915
  592   2HB   ALA  75          1HB       ALA  75  -0.344   2.566   2.566
  593   3HB   ALA  75          3HB       ALA  75  -1.780   2.589   2.589
  594    H    PHE  76           H        PHE  76   1.599   4.065   4.065
  595    HA   PHE  76           HA       PHE  76   3.757   2.566   2.566
  596   1HB   PHE  76          2HB       PHE  76   3.306   4.847   4.847
  597   2HB   PHE  76          1HB       PHE  76   3.443   5.406   5.406
  598    HD1  PHE  76           HD2      PHE  76   5.349   3.926   3.926
  599    HD2  PHE  76           HD1      PHE  76   5.565   5.880   5.880
  600    HE1  PHE  76           HE2      PHE  76   7.788   4.243   4.243
  601    HE2  PHE  76           HE1      PHE  76   8.004   6.192   6.192
  602    HZ   PHE  76           HZ       PHE  76   9.117   5.376   5.376
  603    H    VAL  77           H        VAL  77   3.316   4.183   4.183
  604    HA   VAL  77           HA       VAL  77   5.849   3.774   3.774
  605    HB   VAL  77           HB       VAL  77   3.621   4.738   4.738
  606   1HG1  VAL  77          2HG1      VAL  77   3.468   1.864   1.864
  607   2HG1  VAL  77          1HG1      VAL  77   2.448   3.187   3.187
  608   3HG1  VAL  77          3HG1      VAL  77   2.339   2.644   2.644
  609   1HG2  VAL  77          1HG2      VAL  77   5.908   3.439   3.439
  610   2HG2  VAL  77          3HG2      VAL  77   5.296   5.088   5.088
  611   3HG2  VAL  77          2HG2      VAL  77   4.516   3.774   3.774
  612    H    ALA  78           H        ALA  78   3.198   1.454   1.454
  613    HA   ALA  78           HA       ALA  78   4.594  -0.814  -0.814
  614   1HB   ALA  78          1HB       ALA  78   2.102  -0.175  -0.175
  615   2HB   ALA  78          3HB       ALA  78   2.724  -1.788  -1.788
  616   3HB   ALA  78          2HB       ALA  78   2.364  -1.322  -1.322
  617    H    MET  79           H        MET  79   4.208   0.561   0.561
  618    HA   MET  79           HA       MET  79   5.511  -1.509  -1.509
  619   1HB   MET  79          2HB       MET  79   4.095   0.418   0.418
  620   2HB   MET  79          1HB       MET  79   5.466   1.482   1.482
  621   1HG   MET  79          2HG       MET  79   6.138   0.986   0.986
  622   2HG   MET  79          1HG       MET  79   6.614  -0.580  -0.580
  623   1HE   MET  79          1HE       MET  79   3.497   1.303   1.303
  624   2HE   MET  79          3HE       MET  79   3.621   1.265   1.265
  625   3HE   MET  79          2HE       MET  79   2.380   0.320   0.320
  626    H    ILE  80           H        ILE  80   6.703   1.148   1.148
  627    HA   ILE  80           HA       ILE  80   9.439   1.079   1.079
  628    HB   ILE  80           HB       ILE  80   8.873   1.873   1.873
  629   1HG1  ILE  80          2HG1      ILE  80   7.615   3.216   3.216
  630   2HG1  ILE  80          1HG1      ILE  80   6.837   2.698   2.698
  631   1HG2  ILE  80          3HG2      ILE  80  10.968   2.212   2.212
  632   2HG2  ILE  80          2HG2      ILE  80  10.064   3.669   3.669
  633   3HG2  ILE  80          1HG2      ILE  80  10.558   3.382   3.382
  634   1HD1  ILE  80          2HD1      ILE  80   8.124   4.360   4.360
  635   2HD1  ILE  80          1HD1      ILE  80   8.897   4.899   4.899
  636   3HD1  ILE  80          3HD1      ILE  80   7.163   5.129   5.129
  637    H    THR  81           H        THR  81   8.155   0.074   0.074
  638    HA   THR  81           HA       THR  81  10.367  -1.450  -1.450
  639    HB   THR  81           HB       THR  81   7.389  -1.763  -1.763
  640    HG1  THR  81           HG1      THR  81   9.203   0.043   0.043
  641   1HG2  THR  81          1HG2      THR  81   9.472  -3.532  -3.532
  642   2HG2  THR  81          3HG2      THR  81   9.100  -2.636  -2.636
  643   3HG2  THR  81          2HG2      THR  81   7.827  -3.526  -3.526
  644    H    THR  82           H        THR  82   7.901  -2.234  -2.234
  645    HA   THR  82           HA       THR  82   8.326  -5.122  -5.122
  646    HB   THR  82           HB       THR  82   7.213  -4.737  -4.737
  647    HG1  THR  82           HG1      THR  82   6.393  -2.371  -2.371
  648   1HG2  THR  82          3HG2      THR  82   6.230  -5.447  -5.447
  649   2HG2  THR  82          2HG2      THR  82   5.523  -3.832  -3.832
  650   3HG2  THR  82          1HG2      THR  82   5.150  -4.997  -4.997
  651    H    ALA  83           H        ALA  83   9.465  -2.464  -2.464
  652    HA   ALA  83           HA       ALA  83  10.953  -3.945  -3.945
  653   1HB   ALA  83          1HB       ALA  83  10.435  -1.497  -1.497
  654   2HB   ALA  83          3HB       ALA  83  11.626  -1.278  -1.278
  655   3HB   ALA  83          2HB       ALA  83  12.138  -1.823  -1.823
  656    H    CYS  84           H        CYS  84  12.092  -2.567  -2.567
  657    HA   CYS  84           HA       CYS  84  14.754  -3.354  -3.354
  658   1HB   CYS  84          2HB       CYS  84  13.838  -2.108  -2.108
  659   2HB   CYS  84          1HB       CYS  84  12.627  -3.348  -3.348
  660    HG   CYS  84           HG       CYS  84  15.244  -3.286  -3.286
  661    H    HIS  85           H        HIS  85  11.923  -5.412  -5.412
  662    HA   HIS  85           HA       HIS  85  11.741  -7.766  -7.766
  663   1HB   HIS  85          2HB       HIS  85  12.609  -7.407  -7.407
  664   2HB   HIS  85          1HB       HIS  85  14.256  -7.511  -7.511
  665    HD1  HIS  85           HD1      HIS  85  15.244  -9.807  -9.807
  666    HD2  HIS  85           HD2      HIS  85  11.095  -9.930  -9.930
  667    HE1  HIS  85           HE1      HIS  85  14.618 -12.251 -12.251
  668    H    GLU  86           H        GLU  86  12.171  -8.273  -8.273
  669    HA   GLU  86           HA       GLU  86  14.475  -9.751  -9.751
  670   1HB   GLU  86          2HB       GLU  86  14.798  -6.863  -6.863
  671   2HB   GLU  86          1HB       GLU  86  15.121  -7.492  -7.492
  672   1HG   GLU  86          2HG       GLU  86  17.065  -8.421  -8.421
  673   2HG   GLU  86          1HG       GLU  86  16.289  -9.199  -9.199
  674    H    PHE  87           H        PHE  87  11.651  -9.770  -9.770
  675    HA   PHE  87           HA       PHE  87  11.608 -10.377 -10.377
  676   1HB   PHE  87          2HB       PHE  87  10.270  -8.440  -8.440
  677   2HB   PHE  87          1HB       PHE  87  11.834  -7.921  -7.921
  678    HD1  PHE  87           HD1      PHE  87   8.136  -8.098  -8.098
  679    HD2  PHE  87           HD2      PHE  87  12.079  -6.679  -6.679
  680    HE1  PHE  87           HE1      PHE  87   7.159  -6.598  -6.598
  681    HE2  PHE  87           HE2      PHE  87  11.056  -5.217  -5.217
  682    HZ   PHE  87           HZ       PHE  87   8.600  -5.176  -5.176
  683    H    PHE  88           H        PHE  88   8.843  -9.433  -9.433
  684    HA   PHE  88           HA       PHE  88   6.666 -10.205 -10.205
  685   1HB   PHE  88          2HB       PHE  88   8.088  -9.831  -9.831
  686   2HB   PHE  88          1HB       PHE  88   6.610 -10.778 -10.778
  687    HD1  PHE  88           HD1      PHE  88   6.451  -8.380  -8.380
  688    HD2  PHE  88           HD2      PHE  88   6.003  -8.805  -8.805
  689    HE1  PHE  88           HE1      PHE  88   5.136  -6.282  -6.282
  690    HE2  PHE  88           HE2      PHE  88   4.674  -6.728  -6.728
  691    HZ   PHE  88           HZ       PHE  88   4.235  -5.461  -5.461
  692    H    GLU  89           H        GLU  89   8.974 -12.010 -12.010
  693    HA   GLU  89           HA       GLU  89   8.626 -14.397 -14.397
  694   1HB   GLU  89          2HB       GLU  89   6.621 -14.589 -14.589
  695   2HB   GLU  89          1HB       GLU  89   7.678 -14.596 -14.596
  696   1HG   GLU  89          2HG       GLU  89   6.962 -16.892 -16.892
  697   2HG   GLU  89          1HG       GLU  89   8.705 -16.658 -16.658
  698    H    HIS  90           H        HIS  90  10.343 -15.889 -15.889
  699    HA   HIS  90           HA       HIS  90  12.727 -14.885 -14.885
  700   1HB   HIS  90          2HB       HIS  90  12.032 -17.695 -17.695
  701   2HB   HIS  90          1HB       HIS  90  13.651 -17.011 -17.011
  702    HD1  HIS  90           HD1      HIS  90  14.119 -14.859 -14.859
  703    HD2  HIS  90           HD2      HIS  90  10.861 -17.253 -17.253
  704    HE1  HIS  90           HE1      HIS  90  13.533 -14.292 -14.292
  705    H    GLU  91           H        GLU  91  10.606 -17.654 -17.654
  706    HA   GLU  91           HA       GLU  91  10.943 -17.182 -17.182
  707   1HB   GLU  91          2HB       GLU  91  13.127 -18.239 -18.239
  708   2HB   GLU  91          1HB       GLU  91  12.200 -19.733 -19.733
  709   1HG   GLU  91          2HG       GLU  91  12.739 -19.834 -19.834
  710   2HG   GLU  91          1HG       GLU  91  11.884 -18.314 -18.314
  711   1H    MET   0          1H        MET   0   6.040   9.756   9.756
  712   2H    MET   0          3H        MET   0   6.375  10.844  10.844
  713   3H    MET   0          2H        MET   0   6.363  11.386  11.386
  714    HA   MET   0           HA       MET   0   8.589  11.135  11.135
  715   1HB   MET   0          2HB       MET   0   9.551   9.678   9.678
  716   2HB   MET   0          1HB       MET   0   8.369  10.822  10.822
  717   1HG   MET   0          2HG       MET   0   6.825   9.185   9.185
  718   2HG   MET   0          1HG       MET   0   7.338   8.173   8.173
  719   1HE   MET   0          2HE       MET   0   8.009   6.233   6.233
  720   2HE   MET   0          1HE       MET   0   8.998   5.470   5.470
  721   3HE   MET   0          3HE       MET   0   7.305   5.859   5.859
  722    H    SER   1           H        SER   1   9.270   8.047   8.047
  723    HA   SER   1           HA       SER   1   9.305   7.165   7.165
  724   1HB   SER   1          2HB       SER   1  10.600   6.561   6.561
  725   2HB   SER   1          1HB       SER   1  10.263   5.124   5.124
  726    HG   SER   1           HG       SER   1  12.285   6.613   6.613
  727    H    GLU   2           H        GLU   2   6.754   7.319   7.319
  728    HA   GLU   2           HA       GLU   2   5.687   4.894   4.894
  729   1HB   GLU   2          2HB       GLU   2   4.754   7.438   7.438
  730   2HB   GLU   2          1HB       GLU   2   3.686   6.125   6.125
  731   1HG   GLU   2          2HG       GLU   2   2.752   6.341   6.341
  732   2HG   GLU   2          1HG       GLU   2   4.189   5.505   5.505
  733    H    LEU   3           H        LEU   3   6.498   5.863   5.863
  734    HA   LEU   3           HA       LEU   3   4.993   3.737   3.737
  735   1HB   LEU   3          2HB       LEU   3   6.968   5.866   5.866
  736   2HB   LEU   3          1HB       LEU   3   6.779   4.550   4.550
  737    HG   LEU   3           HG       LEU   3   4.405   4.987   4.987
  738   1HD1  LEU   3          2HD1      LEU   3   4.968   6.684   6.684
  739   2HD1  LEU   3          1HD1      LEU   3   3.678   7.188   7.188
  740   3HD1  LEU   3          3HD1      LEU   3   3.607   5.607   5.607
  741   1HD2  LEU   3          2HD2      LEU   3   6.432   7.039   7.039
  742   2HD2  LEU   3          1HD2      LEU   3   5.114   6.505   6.505
  743   3HD2  LEU   3          3HD2      LEU   3   4.821   7.730   7.730
  744    H    GLU   4           H        GLU   4   8.518   4.283   4.283
  745    HA   GLU   4           HA       GLU   4   9.336   1.674   1.674
  746   1HB   GLU   4          2HB       GLU   4  10.928   3.471   3.471
  747   2HB   GLU   4          1HB       GLU   4  10.512   3.823   3.823
  748   1HG   GLU   4          2HG       GLU   4  11.327   1.433   1.433
  749   2HG   GLU   4          1HG       GLU   4  12.055   1.465   1.465
  750    H    LYS   5           H        LYS   5   8.180   3.015   3.015
  751    HA   LYS   5           HA       LYS   5   8.843   0.734   0.734
  752   1HB   LYS   5          2HB       LYS   5   6.752   2.898   2.898
  753   2HB   LYS   5          1HB       LYS   5   7.616   2.003   2.003
  754   1HG   LYS   5          2HG       LYS   5   9.311   3.508   3.508
  755   2HG   LYS   5          1HG       LYS   5   8.364   4.475   4.475
  756   1HD   LYS   5          2HD       LYS   5   9.429   3.577   3.577
  757   2HD   LYS   5          1HD       LYS   5   9.948   2.131   2.131
  758   1HE   LYS   5          2HE       LYS   5  11.415   3.687   3.687
  759   2HE   LYS   5          1HE       LYS   5  11.093   4.926   4.926
  760   1HZ   LYS   5          2HZ       LYS   5  11.662   3.006   3.006
  761   2HZ   LYS   5          1HZ       LYS   5  12.477   2.344   2.344
  762   3HZ   LYS   5          3HZ       LYS   5  12.924   3.869   3.869
  763    H    ALA   6           H        ALA   6   5.963   1.959   1.959
  764    HA   ALA   6           HA       ALA   6   4.197  -0.192  -0.192
  765   1HB   ALA   6          1HB       ALA   6   4.313   1.795   1.795
  766   2HB   ALA   6          3HB       ALA   6   2.970   0.672   0.672
  767   3HB   ALA   6          2HB       ALA   6   3.306   1.885   1.885
  768    H    VAL   7           H        VAL   7   6.592   0.335   0.335
  769    HA   VAL   7           HA       VAL   7   6.008  -1.932  -1.932
  770    HB   VAL   7           HB       VAL   7   8.157   0.080   0.080
  771   1HG1  VAL   7          1HG1      VAL   7   8.588  -2.537  -2.537
  772   2HG1  VAL   7          3HG1      VAL   7   9.508  -1.097  -1.097
  773   3HG1  VAL   7          2HG1      VAL   7   9.611  -1.738  -1.738
  774   1HG2  VAL   7          3HG2      VAL   7   6.110   0.126   0.126
  775   2HG2  VAL   7          2HG2      VAL   7   7.663   0.819   0.819
  776   3HG2  VAL   7          1HG2      VAL   7   7.210  -0.790  -0.790
  777    H    VAL   8           H        VAL   8   8.487  -1.353  -1.353
  778    HA   VAL   8           HA       VAL   8   9.557  -3.951  -3.951
  779    HB   VAL   8           HB       VAL   8   8.923  -1.841  -1.841
  780   1HG1  VAL   8          3HG1      VAL   8   9.327  -4.344  -4.344
  781   2HG1  VAL   8          2HG1      VAL   8  11.010  -3.958  -3.958
  782   3HG1  VAL   8          1HG1      VAL   8  10.126  -3.021  -3.021
  783   1HG2  VAL   8          1HG2      VAL   8  10.586  -1.530  -1.530
  784   2HG2  VAL   8          3HG2      VAL   8  11.069  -1.014  -1.014
  785   3HG2  VAL   8          2HG2      VAL   8  11.648  -2.550  -2.550
  786    H    ALA   9           H        ALA   9   6.462  -2.679  -2.679
  787    HA   ALA   9           HA       ALA   9   5.665  -4.952  -4.952
  788   1HB   ALA   9          3HB       ALA   9   4.942  -2.408  -2.408
  789   2HB   ALA   9          2HB       ALA   9   3.809  -2.953  -2.953
  790   3HB   ALA   9          1HB       ALA   9   3.746  -3.646  -3.646
  791    H    LEU  10           H        LEU  10   4.805  -3.686  -3.686
  792    HA   LEU  10           HA       LEU  10   3.033  -5.786  -5.786
  793   1HB   LEU  10          2HB       LEU  10   4.841  -3.872  -3.872
  794   2HB   LEU  10          1HB       LEU  10   3.811  -5.024  -5.024
  795    HG   LEU  10           HG       LEU  10   2.280  -3.700  -3.700
  796   1HD1  LEU  10          1HD1      LEU  10   4.209  -2.027  -2.027
  797   2HD1  LEU  10          3HD1      LEU  10   2.556  -1.528  -1.528
  798   3HD1  LEU  10          2HD1      LEU  10   3.118  -1.608  -1.608
  799   1HD2  LEU  10          3HD2      LEU  10   2.149  -4.396  -4.396
  800   2HD2  LEU  10          2HD2      LEU  10   0.850  -4.301  -4.301
  801   3HD2  LEU  10          1HD2      LEU  10   1.379  -2.848  -2.848
  802    H    ILE  11           H        ILE  11   6.585  -5.480  -5.480
  803    HA   ILE  11           HA       ILE  11   7.101  -7.792  -7.792
  804    HB   ILE  11           HB       ILE  11   9.304  -7.618  -7.618
  805   1HG1  ILE  11          2HG1      ILE  11   9.203  -5.759  -5.759
  806   2HG1  ILE  11          1HG1      ILE  11   7.933  -6.922  -6.922
  807   1HG2  ILE  11          1HG2      ILE  11   7.846  -5.416  -5.416
  808   2HG2  ILE  11          3HG2      ILE  11   8.809  -4.798  -4.798
  809   3HG2  ILE  11          2HG2      ILE  11   9.601  -5.595  -5.595
  810   1HD1  ILE  11          3HD1      ILE  11  10.431  -8.146  -8.146
  811   2HD1  ILE  11          2HD1      ILE  11  10.590  -7.294  -7.294
  812   3HD1  ILE  11          1HD1      ILE  11   9.411  -8.594  -8.594
  813    H    ASP  12           H        ASP  12   6.140  -7.370  -7.370
  814    HA   ASP  12           HA       ASP  12   6.658 -10.109 -10.109
  815   1HB   ASP  12          2HB       ASP  12   6.033  -7.609  -7.609
  816   2HB   ASP  12          1HB       ASP  12   4.579  -8.574  -8.574
  817    H    VAL  13           H        VAL  13   4.056  -8.253  -8.253
  818    HA   VAL  13           HA       VAL  13   1.964 -10.204 -10.204
  819    HB   VAL  13           HB       VAL  13   2.283  -8.077  -8.077
  820   1HG1  VAL  13          3HG1      VAL  13   0.428  -9.794  -9.794
  821   2HG1  VAL  13          2HG1      VAL  13  -0.201  -9.182  -9.182
  822   3HG1  VAL  13          1HG1      VAL  13  -0.128  -8.130  -8.130
  823   1HG2  VAL  13          2HG2      VAL  13   2.596  -7.373  -7.373
  824   2HG2  VAL  13          1HG2      VAL  13   1.425  -6.481  -6.481
  825   3HG2  VAL  13          3HG2      VAL  13   0.874  -7.721  -7.721
  826    H    PHE  14           H        PHE  14   3.487  -9.283  -9.283
  827    HA   PHE  14           HA       PHE  14   2.681 -11.474 -11.474
  828   1HB   PHE  14          2HB       PHE  14   5.004  -9.646  -9.646
  829   2HB   PHE  14          1HB       PHE  14   5.371 -11.267 -11.267
  830    HD1  PHE  14           HD2      PHE  14   4.301 -12.300 -12.300
  831    HD2  PHE  14           HD1      PHE  14   3.179  -8.346  -8.346
  832    HE1  PHE  14           HE2      PHE  14   2.964 -12.039 -12.039
  833    HE2  PHE  14           HE1      PHE  14   1.883  -8.091  -8.091
  834    HZ   PHE  14           HZ       PHE  14   1.757  -9.934  -9.934
  835    H    HIS  15           H        HIS  15   5.507 -11.334 -11.334
  836    HA   HIS  15           HA       HIS  15   6.685 -13.814 -13.814
  837   1HB   HIS  15          2HB       HIS  15   7.462 -12.248 -12.248
  838   2HB   HIS  15          1HB       HIS  15   5.899 -12.218 -12.218
  839    HD1  HIS  15           HD1      HIS  15   8.150 -15.134 -15.134
  840    HD2  HIS  15           HD2      HIS  15   6.259 -13.597 -13.597
  841    HE1  HIS  15           HE1      HIS  15   8.620 -16.760 -16.760
  842    H    GLN  16           H        GLN  16   3.947 -13.226 -13.226
  843    HA   GLN  16           HA       GLN  16   3.379 -16.043 -16.043
  844   1HB   GLN  16          2HB       GLN  16   1.736 -13.522 -13.522
  845   2HB   GLN  16          1HB       GLN  16   1.339 -15.114 -15.114
  846   1HG   GLN  16          2HG       GLN  16   4.030 -14.658 -14.658
  847   2HG   GLN  16          1HG       GLN  16   3.192 -13.138 -13.138
  848   1HE2  GLN  16          2HE2      GLN  16   0.840 -14.848 -14.848
  849   2HE2  GLN  16          1HE2      GLN  16   0.732 -13.836 -13.836
  850    H    TYR  17           H        TYR  17   1.228 -13.575 -13.575
  851    HA   TYR  17           HA       TYR  17  -0.614 -15.054 -15.054
  852   1HB   TYR  17          2HB       TYR  17   0.913 -12.565 -12.565
  853   2HB   TYR  17          1HB       TYR  17  -0.472 -13.148 -13.148
  854    HD1  TYR  17           HD2      TYR  17  -2.729 -13.159 -13.159
  855    HD2  TYR  17           HD1      TYR  17   0.637 -11.720 -11.720
  856    HE1  TYR  17           HE2      TYR  17  -4.263 -12.129 -12.129
  857    HE2  TYR  17           HE1      TYR  17  -0.883 -10.678 -10.678
  858    HH   TYR  17           HH       TYR  17  -4.160 -11.430 -11.430
  859    H    SER  18           H        SER  18   2.289 -13.910 -13.910
  860    HA   SER  18           HA       SER  18   1.893 -15.961 -15.961
  861   1HB   SER  18          2HB       SER  18   3.462 -14.682 -14.682
  862   2HB   SER  18          1HB       SER  18   2.735 -13.479 -13.479
  863    HG   SER  18           HG       SER  18   5.151 -14.922 -14.922
  864    H    GLY  19           H        GLY  19   3.202 -16.218 -16.218
  865   1HA   GLY  19          2HA       GLY  19   4.991 -18.411 -18.411
  866   2HA   GLY  19          1HA       GLY  19   5.665 -17.190 -17.190
  867    H    ARG  20           H        ARG  20   2.336 -18.347 -18.347
  868    HA   ARG  20           HA       ARG  20   3.082 -19.573 -19.573
  869   1HB   ARG  20          2HB       ARG  20   0.806 -18.943 -18.943
  870   2HB   ARG  20          1HB       ARG  20   1.649 -17.529 -17.529
  871   1HG   ARG  20          2HG       ARG  20   0.543 -17.813 -17.813
  872   2HG   ARG  20          1HG       ARG  20  -0.244 -19.284 -19.284
  873   1HD   ARG  20          2HD       ARG  20  -0.612 -16.599 -16.599
  874   2HD   ARG  20          1HD       ARG  20  -1.708 -17.208 -17.208
  875    HE   ARG  20           HE       ARG  20  -1.139 -19.073 -19.073
  876   1HH1  ARG  20          2HH1      ARG  20  -2.894 -16.236 -16.236
  877   2HH1  ARG  20          1HH1      ARG  20  -4.429 -16.929 -16.929
  878   1HH2  ARG  20          1HH2      ARG  20  -3.258 -20.191 -20.191
  879   2HH2  ARG  20          2HH2      ARG  20  -4.636 -19.168 -19.168
  880    H    GLU  21           H        GLU  21   1.343 -20.014 -20.014
  881    HA   GLU  21           HA       GLU  21   1.419 -22.880 -22.880
  882   1HB   GLU  21          2HB       GLU  21  -0.238 -22.240 -22.240
  883   2HB   GLU  21          1HB       GLU  21  -1.289 -21.632 -21.632
  884   1HG   GLU  21          2HG       GLU  21  -2.093 -23.792 -23.792
  885   2HG   GLU  21          1HG       GLU  21  -0.808 -24.042 -24.042
  886    H    GLY  22           H        GLY  22  -0.093 -19.991 -19.991
  887   1HA   GLY  22          2HA       GLY  22  -1.319 -21.212 -21.212
  888   2HA   GLY  22          1HA       GLY  22  -0.866 -19.511 -19.511
  889    H    ASP  23           H        ASP  23   0.271 -19.113 -19.113
  890    HA   ASP  23           HA       ASP  23   1.990 -21.061 -21.061
  891   1HB   ASP  23          2HB       ASP  23   1.714 -18.049 -18.049
  892   2HB   ASP  23          1HB       ASP  23   2.513 -19.109 -19.109
  893    H    LYS  24           H        LYS  24   4.253 -19.480 -19.480
  894    HA   LYS  24           HA       LYS  24   5.765 -19.709 -19.709
  895   1HB   LYS  24          2HB       LYS  24   6.281 -19.785 -19.785
  896   2HB   LYS  24          1HB       LYS  24   7.581 -19.122 -19.122
  897   1HG   LYS  24          2HG       LYS  24   7.671 -21.121 -21.121
  898   2HG   LYS  24          1HG       LYS  24   6.222 -21.766 -21.766
  899   1HD   LYS  24          2HD       LYS  24   7.691 -21.410 -21.410
  900   2HD   LYS  24          1HD       LYS  24   9.013 -21.594 -21.594
  901   1HE   LYS  24          2HE       LYS  24   8.275 -23.772 -23.772
  902   2HE   LYS  24          1HE       LYS  24   6.709 -23.558 -23.558
  903   1HZ   LYS  24          2HZ       LYS  24   9.135 -23.179 -23.179
  904   2HZ   LYS  24          1HZ       LYS  24   8.698 -24.773 -24.773
  905   3HZ   LYS  24          3HZ       LYS  24   7.618 -23.787 -23.787
  906    H    HIS  25           H        HIS  25   5.476 -17.313 -17.313
  907    HA   HIS  25           HA       HIS  25   5.857 -15.171 -15.171
  908   1HB   HIS  25          2HB       HIS  25   7.642 -16.039 -16.039
  909   2HB   HIS  25          1HB       HIS  25   7.093 -14.405 -14.405
  910    HD1  HIS  25           HD1      HIS  25   9.914 -14.355 -14.355
  911    HD2  HIS  25           HD2      HIS  25   7.019 -14.434 -14.434
  912    HE1  HIS  25           HE1      HIS  25  11.030 -13.470 -13.470
  913    H    LYS  26           H        LYS  26   3.334 -15.674 -15.674
  914    HA   LYS  26           HA       LYS  26   2.661 -13.302 -13.302
  915   1HB   LYS  26          2HB       LYS  26   3.064 -15.383 -15.383
  916   2HB   LYS  26          1HB       LYS  26   1.561 -15.999 -15.999
  917   1HG   LYS  26          2HG       LYS  26   1.602 -13.211 -13.211
  918   2HG   LYS  26          1HG       LYS  26   1.538 -14.561 -14.561
  919   1HD   LYS  26          2HD       LYS  26  -0.329 -14.603 -14.603
  920   2HD   LYS  26          1HD       LYS  26  -0.691 -13.507 -13.507
  921   1HE   LYS  26          2HE       LYS  26  -0.282 -16.510 -16.510
  922   2HE   LYS  26          1HE       LYS  26  -1.794 -15.621 -15.621
  923   1HZ   LYS  26          1HZ       LYS  26  -0.146 -14.284 -14.284
  924   2HZ   LYS  26          3HZ       LYS  26   0.568 -15.819 -15.819
  925   3HZ   LYS  26          2HZ       LYS  26  -1.061 -15.614 -15.614
  926    H    LEU  27           H        LEU  27   0.411 -12.688 -12.688
  927    HA   LEU  27           HA       LEU  27  -0.845 -14.000 -14.000
  928   1HB   LEU  27          2HB       LEU  27  -0.308 -11.278 -11.278
  929   2HB   LEU  27          1HB       LEU  27  -2.028 -11.500 -11.500
  930    HG   LEU  27           HG       LEU  27  -0.749 -10.842 -10.842
  931   1HD1  LEU  27          3HD1      LEU  27  -2.798 -12.430 -12.430
  932   2HD1  LEU  27          2HD1      LEU  27  -1.630 -13.687 -13.687
  933   3HD1  LEU  27          1HD1      LEU  27  -1.868 -12.317 -12.317
  934   1HD2  LEU  27          3HD2      LEU  27   0.921 -13.053 -13.053
  935   2HD2  LEU  27          2HD2      LEU  27   1.329 -11.736 -11.736
  936   3HD2  LEU  27          1HD2      LEU  27   0.521 -13.179 -13.179
  937    H    LYS  28           H        LYS  28  -3.184 -14.347 -14.347
  938    HA   LYS  28           HA       LYS  28  -4.414 -14.095 -14.095
  939   1HB   LYS  28          2HB       LYS  28  -3.300 -16.412 -16.412
  940   2HB   LYS  28          1HB       LYS  28  -4.998 -16.591 -16.591
  941   1HG   LYS  28          2HG       LYS  28  -5.701 -16.302 -16.302
  942   2HG   LYS  28          1HG       LYS  28  -4.070 -15.853 -15.853
  943   1HD   LYS  28          2HD       LYS  28  -4.432 -18.170 -18.170
  944   2HD   LYS  28          1HD       LYS  28  -3.293 -18.131 -18.131
  945   1HE   LYS  28          2HE       LYS  28  -6.090 -18.233 -18.233
  946   2HE   LYS  28          1HE       LYS  28  -5.605 -19.652 -19.652
  947   1HZ   LYS  28          2HZ       LYS  28  -3.724 -18.581 -18.581
  948   2HZ   LYS  28          1HZ       LYS  28  -5.040 -19.492 -19.492
  949   3HZ   LYS  28          3HZ       LYS  28  -3.941 -20.182 -20.182
  950    H    LYS  29           H        LYS  29  -6.822 -14.363 -14.363
  951    HA   LYS  29           HA       LYS  29  -8.189 -12.795 -12.795
  952   1HB   LYS  29          2HB       LYS  29  -8.856 -15.275 -15.275
  953   2HB   LYS  29          1HB       LYS  29 -10.078 -14.594 -14.594
  954   1HG   LYS  29          2HG       LYS  29 -10.283 -12.646 -12.646
  955   2HG   LYS  29          1HG       LYS  29  -8.635 -12.744 -12.744
  956   1HD   LYS  29          2HD       LYS  29 -10.022 -13.277 -13.277
  957   2HD   LYS  29          1HD       LYS  29  -9.414 -14.830 -14.830
  958   1HE   LYS  29          2HE       LYS  29 -11.863 -14.062 -14.062
  959   2HE   LYS  29          1HE       LYS  29 -12.105 -14.179 -14.179
  960   1HZ   LYS  29          2HZ       LYS  29 -10.596 -16.276 -16.276
  961   2HZ   LYS  29          1HZ       LYS  29 -11.201 -16.234 -16.234
  962   3HZ   LYS  29          3HZ       LYS  29 -12.269 -16.374 -16.374
  963    H    SER  30           H        SER  30  -7.740 -16.340 -16.340
  964    HA   SER  30           HA       SER  30  -8.945 -16.713 -16.713
  965   1HB   SER  30          2HB       SER  30  -6.884 -17.960 -17.960
  966   2HB   SER  30          1HB       SER  30  -6.603 -18.237 -18.237
  967    HG   SER  30           HG       SER  30  -8.070 -19.726 -19.726
  968    H    GLU  31           H        GLU  31  -5.492 -15.921 -15.921
  969    HA   GLU  31           HA       GLU  31  -4.857 -15.398 -15.398
  970   1HB   GLU  31          2HB       GLU  31  -3.585 -14.090 -14.090
  971   2HB   GLU  31          1HB       GLU  31  -2.811 -14.567 -14.567
  972   1HG   GLU  31          2HG       GLU  31  -3.843 -16.960 -16.960
  973   2HG   GLU  31          1HG       GLU  31  -3.448 -16.200 -16.200
  974    H    LEU  32           H        LEU  32  -5.839 -13.278 -13.278
  975    HA   LEU  32           HA       LEU  32  -5.715 -10.768 -10.768
  976   1HB   LEU  32          2HB       LEU  32  -6.824 -11.983 -11.983
  977   2HB   LEU  32          1HB       LEU  32  -8.069 -10.957 -10.957
  978    HG   LEU  32           HG       LEU  32  -6.781  -9.585  -9.585
  979   1HD1  LEU  32          3HD1      LEU  32  -6.788  -9.158  -9.158
  980   2HD1  LEU  32          2HD1      LEU  32  -5.375  -8.398  -8.398
  981   3HD1  LEU  32          1HD1      LEU  32  -6.992  -7.981  -7.981
  982   1HD2  LEU  32          3HD2      LEU  32  -4.774 -11.173 -11.173
  983   2HD2  LEU  32          2HD2      LEU  32  -4.396  -9.451  -9.451
  984   3HD2  LEU  32          1HD2      LEU  32  -4.291 -10.323 -10.323
  985    H    LYS  33           H        LYS  33  -8.575 -12.945 -12.945
  986    HA   LYS  33           HA       LYS  33 -10.390 -11.561 -11.561
  987   1HB   LYS  33          2HB       LYS  33  -9.854 -14.289 -14.289
  988   2HB   LYS  33          1HB       LYS  33 -10.521 -14.267 -14.267
  989   1HG   LYS  33          2HG       LYS  33 -11.728 -12.873 -12.873
  990   2HG   LYS  33          1HG       LYS  33 -12.323 -14.369 -14.369
  991   1HD   LYS  33          2HD       LYS  33 -13.403 -13.252 -13.252
  992   2HD   LYS  33          1HD       LYS  33 -11.982 -12.271 -12.271
  993   1HE   LYS  33          2HE       LYS  33 -12.903 -10.503 -10.503
  994   2HE   LYS  33          1HE       LYS  33 -13.091 -11.467 -11.467
  995   1HZ   LYS  33          2HZ       LYS  33 -14.884 -11.796 -11.796
  996   2HZ   LYS  33          1HZ       LYS  33 -15.218 -10.673 -10.673
  997   3HZ   LYS  33          3HZ       LYS  33 -15.127 -12.326 -12.326
  998    H    GLU  34           H        GLU  34  -8.161 -14.062 -14.062
  999    HA   GLU  34           HA       GLU  34  -8.533 -13.443 -13.443
 1000   1HB   GLU  34          2HB       GLU  34  -5.970 -14.270 -14.270
 1001   2HB   GLU  34          1HB       GLU  34  -6.420 -14.627 -14.627
 1002   1HG   GLU  34          2HG       GLU  34  -8.531 -15.530 -15.530
 1003   2HG   GLU  34          1HG       GLU  34  -7.002 -16.167 -16.167
 1004    H    LEU  35           H        LEU  35  -6.468 -12.032 -12.032
 1005    HA   LEU  35           HA       LEU  35  -4.861 -10.331 -10.331
 1006   1HB   LEU  35          2HB       LEU  35  -4.787 -11.091 -11.091
 1007   2HB   LEU  35          1HB       LEU  35  -5.801  -9.677  -9.677
 1008    HG   LEU  35           HG       LEU  35  -3.638  -8.933  -8.933
 1009   1HD1  LEU  35          2HD1      LEU  35  -2.963 -10.939 -10.939
 1010   2HD1  LEU  35          1HD1      LEU  35  -2.145  -9.422  -9.422
 1011   3HD1  LEU  35          3HD1      LEU  35  -1.926 -10.194 -10.194
 1012   1HD2  LEU  35          1HD2      LEU  35  -5.027  -7.525  -7.525
 1013   2HD2  LEU  35          3HD2      LEU  35  -3.290  -7.283  -7.283
 1014   3HD2  LEU  35          2HD2      LEU  35  -4.177  -8.273  -8.273
 1015    H    ILE  36           H        ILE  36  -8.154 -10.055 -10.055
 1016    HA   ILE  36           HA       ILE  36  -8.270  -7.172  -7.172
 1017    HB   ILE  36           HB       ILE  36 -10.026  -9.293  -9.293
 1018   1HG1  ILE  36          2HG1      ILE  36 -10.011  -6.720  -6.720
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.355  -7.195  -7.195
 1020   1HG2  ILE  36          1HG2      ILE  36 -10.947  -6.905  -6.905
 1021   2HG2  ILE  36          3HG2      ILE  36 -11.603  -7.062  -7.062
 1022   3HG2  ILE  36          2HG2      ILE  36 -11.835  -8.358  -8.358
 1023   1HD1  ILE  36          2HD1      ILE  36  -9.317  -9.552  -9.552
 1024   2HD1  ILE  36          1HD1      ILE  36 -10.297  -8.430  -8.430
 1025   3HD1  ILE  36          3HD1      ILE  36  -8.536  -8.354  -8.354
 1026    H    ASN  37           H        ASN  37  -9.594 -10.240 -10.240
 1027    HA   ASN  37           HA       ASN  37 -10.990  -8.848  -8.848
 1028   1HB   ASN  37          2HB       ASN  37 -10.623 -11.796 -11.796
 1029   2HB   ASN  37          1HB       ASN  37 -11.939 -10.970 -10.970
 1030   1HD2  ASN  37          2HD2      ASN  37 -13.453  -9.842  -9.842
 1031   2HD2  ASN  37          1HD2      ASN  37 -13.130  -9.286  -9.286
 1032    H    ASN  38           H        ASN  38  -7.851 -10.178 -10.178
 1033    HA   ASN  38           HA       ASN  38  -7.487 -10.904 -10.904
 1034   1HB   ASN  38          2HB       ASN  38  -5.716 -10.851 -10.851
 1035   2HB   ASN  38          1HB       ASN  38  -5.152 -11.378 -11.378
 1036   1HD2  ASN  38          2HD2      ASN  38  -6.249 -14.631 -14.631
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.966 -13.635 -13.635
 1038    H    GLU  39           H        GLU  39  -7.312  -8.110  -8.110
 1039    HA   GLU  39           HA       GLU  39  -5.613  -6.729  -6.729
 1040   1HB   GLU  39          2HB       GLU  39  -5.557  -6.633  -6.633
 1041   2HB   GLU  39          1HB       GLU  39  -4.691  -5.495  -5.495
 1042   1HG   GLU  39          2HG       GLU  39  -3.018  -6.971  -6.971
 1043   2HG   GLU  39          1HG       GLU  39  -4.153  -8.145  -8.145
 1044    H    LEU  40           H        LEU  40  -7.683  -6.055  -6.055
 1045    HA   LEU  40           HA       LEU  40  -8.554  -3.486  -3.486
 1046   1HB   LEU  40          2HB       LEU  40  -9.428  -5.229  -5.229
 1047   2HB   LEU  40          1HB       LEU  40 -10.029  -3.594  -3.594
 1048    HG   LEU  40           HG       LEU  40  -7.160  -4.419  -4.419
 1049   1HD1  LEU  40          3HD1      LEU  40  -8.938  -4.112  -4.112
 1050   2HD1  LEU  40          2HD1      LEU  40  -8.801  -2.394  -2.394
 1051   3HD1  LEU  40          1HD1      LEU  40  -7.385  -3.295  -3.295
 1052   1HD2  LEU  40          1HD2      LEU  40  -8.372  -1.928  -1.928
 1053   2HD2  LEU  40          3HD2      LEU  40  -6.819  -2.683  -2.683
 1054   3HD2  LEU  40          2HD2      LEU  40  -7.024  -1.754  -1.754
 1055    H    SER  41           H        SER  41  -9.207  -4.942  -4.942
 1056    HA   SER  41           HA       SER  41 -11.516  -6.540  -6.540
 1057   1HB   SER  41          2HB       SER  41  -9.819  -5.030  -5.030
 1058   2HB   SER  41          1HB       SER  41 -11.497  -4.873  -4.873
 1059    HG   SER  41           HG       SER  41 -11.593  -6.980  -6.980
 1060    H    HIS  42           H        HIS  42 -11.277  -2.976  -2.976
 1061    HA   HIS  42           HA       HIS  42 -13.909  -2.259  -2.259
 1062   1HB   HIS  42          2HB       HIS  42 -12.056  -1.122  -1.122
 1063   2HB   HIS  42          1HB       HIS  42 -13.414  -0.269  -0.269
 1064    HD1  HIS  42           HD1      HIS  42 -10.954   1.189   1.189
 1065    HD2  HIS  42           HD2      HIS  42 -11.976  -2.091  -2.091
 1066    HE1  HIS  42           HE1      HIS  42  -9.665   1.436   1.436
 1067    H    PHE  43           H        PHE  43 -12.606  -3.344  -3.344
 1068    HA   PHE  43           HA       PHE  43 -15.166  -3.049  -3.049
 1069   1HB   PHE  43          2HB       PHE  43 -12.493  -4.301  -4.301
 1070   2HB   PHE  43          1HB       PHE  43 -13.848  -4.513  -4.513
 1071    HD1  PHE  43           HD1      PHE  43 -15.144  -1.721  -1.721
 1072    HD2  PHE  43           HD2      PHE  43 -11.099  -3.002  -3.002
 1073    HE1  PHE  43           HE1      PHE  43 -14.611   0.472   0.472
 1074    HE2  PHE  43           HE2      PHE  43 -10.582  -0.803  -0.803
 1075    HZ   PHE  43           HZ       PHE  43 -12.341   0.933   0.933
 1076    H    LEU  44           H        LEU  44 -13.832  -5.432  -5.432
 1077    HA   LEU  44           HA       LEU  44 -14.784  -7.885  -7.885
 1078   1HB   LEU  44          2HB       LEU  44 -13.663  -7.078  -7.078
 1079   2HB   LEU  44          1HB       LEU  44 -15.328  -6.982  -6.982
 1080    HG   LEU  44           HG       LEU  44 -15.619  -9.365  -9.365
 1081   1HD1  LEU  44          3HD1      LEU  44 -13.029  -8.801  -8.801
 1082   2HD1  LEU  44          2HD1      LEU  44 -12.833 -10.044 -10.044
 1083   3HD1  LEU  44          1HD1      LEU  44 -13.923 -10.318 -10.318
 1084   1HD2  LEU  44          3HD2      LEU  44 -13.890  -8.505  -8.505
 1085   2HD2  LEU  44          2HD2      LEU  44 -15.470  -9.287  -9.287
 1086   3HD2  LEU  44          1HD2      LEU  44 -14.025 -10.231 -10.231
 1087    H    GLU  45           H        GLU  45 -16.466  -5.127  -5.127
 1088    HA   GLU  45           HA       GLU  45 -19.127  -6.394  -6.394
 1089   1HB   GLU  45          2HB       GLU  45 -17.753  -3.945  -3.945
 1090   2HB   GLU  45          1HB       GLU  45 -19.413  -3.683  -3.683
 1091   1HG   GLU  45          2HG       GLU  45 -19.985  -4.343  -4.343
 1092   2HG   GLU  45          1HG       GLU  45 -19.679  -5.972  -5.972
 1093    H    GLU  46           H        GLU  46 -17.127  -4.193  -4.193
 1094    HA   GLU  46           HA       GLU  46 -17.331  -3.400  -3.400
 1095   1HB   GLU  46          2HB       GLU  46 -18.134  -5.930  -5.930
 1096   2HB   GLU  46          1HB       GLU  46 -19.708  -5.206  -5.206
 1097   1HG   GLU  46          2HG       GLU  46 -19.057  -5.226  -5.226
 1098   2HG   GLU  46          1HG       GLU  46 -18.055  -3.842  -3.842
 1099    H    ILE  47           H        ILE  47 -20.652  -4.054  -4.054
 1100    HA   ILE  47           HA       ILE  47 -22.088  -2.038  -2.038
 1101    HB   ILE  47           HB       ILE  47 -22.748  -3.832  -3.832
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.577  -2.355  -2.355
 1103   2HG1  ILE  47          1HG1      ILE  47 -23.778  -0.995  -0.995
 1104   1HG2  ILE  47          2HG2      ILE  47 -20.998  -2.454  -2.454
 1105   2HG2  ILE  47          1HG2      ILE  47 -22.551  -1.826  -1.826
 1106   3HG2  ILE  47          3HG2      ILE  47 -22.234  -3.562  -3.562
 1107   1HD1  ILE  47          2HD1      ILE  47 -24.381  -3.435  -3.435
 1108   2HD1  ILE  47          1HD1      ILE  47 -25.703  -2.334  -2.334
 1109   3HD1  ILE  47          3HD1      ILE  47 -24.298  -1.747  -1.747
 1110    H    LYS  48           H        LYS  48 -19.563  -1.759  -1.759
 1111    HA   LYS  48           HA       LYS  48 -19.888   0.712   0.712
 1112   1HB   LYS  48          2HB       LYS  48 -17.433  -0.435  -0.435
 1113   2HB   LYS  48          1HB       LYS  48 -17.393   0.826   0.826
 1114   1HG   LYS  48          2HG       LYS  48 -18.323  -2.037  -2.037
 1115   2HG   LYS  48          1HG       LYS  48 -16.937  -1.265  -1.265
 1116   1HD   LYS  48          2HD       LYS  48 -18.706   0.414   0.414
 1117   2HD   LYS  48          1HD       LYS  48 -19.865  -0.859  -0.859
 1118   1HE   LYS  48          2HE       LYS  48 -19.328  -1.630  -1.630
 1119   2HE   LYS  48          1HE       LYS  48 -17.899  -2.293  -2.293
 1120   1HZ   LYS  48          3HZ       LYS  48 -18.052   0.467   0.467
 1121   2HZ   LYS  48          2HZ       LYS  48 -17.365  -0.836  -0.836
 1122   3HZ   LYS  48          1HZ       LYS  48 -16.680  -0.314  -0.314
 1123    H    GLU  49           H        GLU  49 -19.384  -0.050  -0.050
 1124    HA   GLU  49           HA       GLU  49 -19.830   2.772   2.772
 1125   1HB   GLU  49          2HB       GLU  49 -17.739   2.247   2.247
 1126   2HB   GLU  49          1HB       GLU  49 -17.519   2.909   2.909
 1127   1HG   GLU  49          2HG       GLU  49 -17.707  -0.045  -0.045
 1128   2HG   GLU  49          1HG       GLU  49 -16.286   0.630   0.630
 1129    H    GLN  50           H        GLN  50 -21.822   1.863   1.863
 1130    HA   GLN  50           HA       GLN  50 -22.189  -0.347  -0.347
 1131   1HB   GLN  50          2HB       GLN  50 -23.321   2.409   2.409
 1132   2HB   GLN  50          1HB       GLN  50 -23.788   1.446   1.446
 1133   1HG   GLN  50          2HG       GLN  50 -23.870  -0.041  -0.041
 1134   2HG   GLN  50          1HG       GLN  50 -25.004   1.309   1.309
 1135   1HE2  GLN  50          2HE2      GLN  50 -26.595  -0.120  -0.120
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.905   1.364   1.364
 1137    H    GLU  51           H        GLU  51 -21.614   2.913   2.913
 1138    HA   GLU  51           HA       GLU  51 -21.135   2.262   2.262
 1139   1HB   GLU  51          2HB       GLU  51 -21.194   4.528   4.528
 1140   2HB   GLU  51          1HB       GLU  51 -19.651   4.242   4.242
 1141   1HG   GLU  51          2HG       GLU  51 -18.926   3.586   3.586
 1142   2HG   GLU  51          1HG       GLU  51 -20.220   4.719   4.719
 1143    H    VAL  52           H        VAL  52 -18.877   1.842   1.842
 1144    HA   VAL  52           HA       VAL  52 -16.602   1.172   1.172
 1145    HB   VAL  52           HB       VAL  52 -17.250   0.768   0.768
 1146   1HG1  VAL  52          1HG1      VAL  52 -14.920  -0.033  -0.033
 1147   2HG1  VAL  52          3HG1      VAL  52 -14.546   0.730   0.730
 1148   3HG1  VAL  52          2HG1      VAL  52 -15.523  -0.737  -0.737
 1149   1HG2  VAL  52          1HG2      VAL  52 -15.699   2.836   2.836
 1150   2HG2  VAL  52          3HG2      VAL  52 -17.094   3.100   3.100
 1151   3HG2  VAL  52          2HG2      VAL  52 -15.538   2.658   2.658
 1152    H    VAL  53           H        VAL  53 -18.967  -0.686  -0.686
 1153    HA   VAL  53           HA       VAL  53 -18.050  -3.305  -3.305
 1154    HB   VAL  53           HB       VAL  53 -20.845  -2.112  -2.112
 1155   1HG1  VAL  53          3HG1      VAL  53 -20.344  -4.561  -4.561
 1156   2HG1  VAL  53          2HG1      VAL  53 -20.336  -4.946  -4.946
 1157   3HG1  VAL  53          1HG1      VAL  53 -21.771  -4.234  -4.234
 1158   1HG2  VAL  53          3HG2      VAL  53 -19.027  -2.312  -2.312
 1159   2HG2  VAL  53          2HG2      VAL  53 -20.755  -1.980  -1.980
 1160   3HG2  VAL  53          1HG2      VAL  53 -20.165  -3.636  -3.636
 1161    H    ASP  54           H        ASP  54 -19.601  -1.069  -1.069
 1162    HA   ASP  54           HA       ASP  54 -19.948  -2.918  -2.918
 1163   1HB   ASP  54          2HB       ASP  54 -21.357  -1.039  -1.039
 1164   2HB   ASP  54          1HB       ASP  54 -20.057   0.047   0.047
 1165    H    LYS  55           H        LYS  55 -17.530  -0.469  -0.469
 1166    HA   LYS  55           HA       LYS  55 -15.860  -0.889  -0.889
 1167   1HB   LYS  55          2HB       LYS  55 -15.787   0.604   0.604
 1168   2HB   LYS  55          1HB       LYS  55 -14.287   0.426   0.426
 1169   1HG   LYS  55          2HG       LYS  55 -15.118   2.374   2.374
 1170   2HG   LYS  55          1HG       LYS  55 -15.810   1.169   1.169
 1171   1HD   LYS  55          2HD       LYS  55 -17.879   1.167   1.167
 1172   2HD   LYS  55          1HD       LYS  55 -17.192   2.476   2.476
 1173   1HE   LYS  55          2HE       LYS  55 -17.474   2.690   2.690
 1174   2HE   LYS  55          1HE       LYS  55 -18.757   3.206   3.206
 1175   1HZ   LYS  55          1HZ       LYS  55 -16.860   4.394   4.394
 1176   2HZ   LYS  55          3HZ       LYS  55 -15.995   4.225   4.225
 1177   3HZ   LYS  55          2HZ       LYS  55 -17.452   5.098   5.098
 1178    H    VAL  56           H        VAL  56 -15.181  -1.449  -1.449
 1179    HA   VAL  56           HA       VAL  56 -12.891  -2.969  -2.969
 1180    HB   VAL  56           HB       VAL  56 -15.390  -3.159  -3.159
 1181   1HG1  VAL  56          3HG1      VAL  56 -13.289  -5.152  -5.152
 1182   2HG1  VAL  56          2HG1      VAL  56 -13.315  -4.456  -4.456
 1183   3HG1  VAL  56          1HG1      VAL  56 -14.768  -5.205  -5.205
 1184   1HG2  VAL  56          1HG2      VAL  56 -13.584  -1.258  -1.258
 1185   2HG2  VAL  56          3HG2      VAL  56 -14.151  -1.931  -1.931
 1186   3HG2  VAL  56          2HG2      VAL  56 -12.605  -2.448  -2.448
 1187    H    MET  57           H        MET  57 -16.208  -4.352  -4.352
 1188    HA   MET  57           HA       MET  57 -15.251  -6.999  -6.999
 1189   1HB   MET  57          2HB       MET  57 -17.920  -5.598  -5.598
 1190   2HB   MET  57          1HB       MET  57 -17.665  -7.339  -7.339
 1191   1HG   MET  57          2HG       MET  57 -16.625  -7.114  -7.114
 1192   2HG   MET  57          1HG       MET  57 -17.513  -5.592  -5.592
 1193   1HE   MET  57          2HE       MET  57 -17.200  -9.021  -9.021
 1194   2HE   MET  57          1HE       MET  57 -18.215  -8.850  -8.850
 1195   3HE   MET  57          3HE       MET  57 -18.769  -9.823  -9.823
 1196    H    GLU  58           H        GLU  58 -16.359  -4.187  -4.187
 1197    HA   GLU  58           HA       GLU  58 -16.596  -5.281  -5.281
 1198   1HB   GLU  58          2HB       GLU  58 -17.171  -3.056  -3.056
 1199   2HB   GLU  58          1HB       GLU  58 -15.792  -2.671  -2.671
 1200   1HG   GLU  58          2HG       GLU  58 -15.667  -1.700  -1.700
 1201   2HG   GLU  58          1HG       GLU  58 -14.285  -2.703  -2.703
 1202    H    THR  59           H        THR  59 -13.636  -3.566  -3.566
 1203    HA   THR  59           HA       THR  59 -11.934  -4.525  -4.525
 1204    HB   THR  59           HB       THR  59 -11.359  -3.819  -3.819
 1205    HG1  THR  59           HG1      THR  59 -11.758  -2.380  -2.380
 1206   1HG2  THR  59          3HG2      THR  59  -9.554  -3.969  -3.969
 1207   2HG2  THR  59          2HG2      THR  59  -9.095  -3.234  -3.234
 1208   3HG2  THR  59          1HG2      THR  59  -9.449  -4.960  -4.960
 1209    H    LEU  60           H        LEU  60 -12.258  -5.842  -5.842
 1210    HA   LEU  60           HA       LEU  60 -10.528  -8.027  -8.027
 1211   1HB   LEU  60          2HB       LEU  60 -12.530  -7.072  -7.072
 1212   2HB   LEU  60          1HB       LEU  60 -13.052  -8.704  -8.704
 1213    HG   LEU  60           HG       LEU  60 -10.399  -7.877  -7.877
 1214   1HD1  LEU  60          1HD1      LEU  60 -12.791  -9.469  -9.469
 1215   2HD1  LEU  60          3HD1      LEU  60 -11.206  -9.714  -9.714
 1216   3HD1  LEU  60          2HD1      LEU  60 -11.980  -8.131  -8.131
 1217   1HD2  LEU  60          3HD2      LEU  60 -11.294 -10.515 -10.515
 1218   2HD2  LEU  60          2HD2      LEU  60  -9.883  -9.556  -9.556
 1219   3HD2  LEU  60          1HD2      LEU  60  -9.930 -10.380 -10.380
 1220    H    ASP  61           H        ASP  61 -13.825  -7.729  -7.729
 1221    HA   ASP  61           HA       ASP  61 -14.319 -10.427 -10.427
 1222   1HB   ASP  61          2HB       ASP  61 -15.422  -7.860  -7.860
 1223   2HB   ASP  61          1HB       ASP  61 -15.166  -8.528  -8.528
 1224    H    SER  62           H        SER  62 -12.721  -7.817  -7.817
 1225    HA   SER  62           HA       SER  62 -11.751  -9.733  -9.733
 1226   1HB   SER  62          2HB       SER  62 -10.652  -7.193  -7.193
 1227   2HB   SER  62          1HB       SER  62 -12.094  -7.840  -7.840
 1228    HG   SER  62           HG       SER  62 -11.937  -5.804  -5.804
 1229    H    ASP  63           H        ASP  63 -10.206  -7.109  -7.109
 1230    HA   ASP  63           HA       ASP  63  -8.008  -6.948  -6.948
 1231   1HB   ASP  63          2HB       ASP  63  -9.415  -8.701  -8.701
 1232   2HB   ASP  63          1HB       ASP  63  -8.315  -9.872  -9.872
 1233    H    GLY  64           H        GLY  64  -5.827  -8.315  -8.315
 1234   1HA   GLY  64          2HA       GLY  64  -4.682  -8.357  -8.357
 1235   2HA   GLY  64          1HA       GLY  64  -4.310  -9.654  -9.654
 1236    H    ASP  65           H        ASP  65  -6.984 -10.825 -10.825
 1237    HA   ASP  65           HA       ASP  65  -8.342 -12.240 -12.240
 1238   1HB   ASP  65          2HB       ASP  65  -7.899 -10.199 -10.199
 1239   2HB   ASP  65          1HB       ASP  65  -6.844 -11.345 -11.345
 1240    H    GLY  66           H        GLY  66  -7.002 -13.894 -13.894
 1241   1HA   GLY  66          2HA       GLY  66  -5.897 -15.969 -15.969
 1242   2HA   GLY  66          1HA       GLY  66  -5.710 -15.662 -15.662
 1243    H    GLU  67           H        GLU  67  -4.645 -12.926 -12.926
 1244    HA   GLU  67           HA       GLU  67  -1.910 -13.932 -13.932
 1245   1HB   GLU  67          2HB       GLU  67  -2.075 -13.556 -13.556
 1246   2HB   GLU  67          1HB       GLU  67  -2.599 -11.898 -11.898
 1247   1HG   GLU  67          2HG       GLU  67  -0.496 -11.265 -11.265
 1248   2HG   GLU  67          1HG       GLU  67   0.000 -12.939 -12.939
 1249    H    CYS  68           H        CYS  68  -2.825 -13.055 -13.055
 1250    HA   CYS  68           HA       CYS  68  -2.848 -10.086 -10.086
 1251   1HB   CYS  68          2HB       CYS  68  -4.054 -12.285 -12.285
 1252   2HB   CYS  68          1HB       CYS  68  -2.989 -11.499 -11.499
 1253    HG   CYS  68           HG       CYS  68  -5.435 -10.342 -10.342
 1254    H    ASP  69           H        ASP  69  -0.527  -9.989  -9.989
 1255    HA   ASP  69           HA       ASP  69   1.444 -11.210 -11.210
 1256   1HB   ASP  69          2HB       ASP  69   1.520  -9.490  -9.490
 1257   2HB   ASP  69          1HB       ASP  69   2.974 -10.032 -10.032
 1258    H    PHE  70           H        PHE  70   3.381  -9.768  -9.768
 1259    HA   PHE  70           HA       PHE  70   3.449  -8.282  -8.282
 1260   1HB   PHE  70          2HB       PHE  70   4.769  -7.991  -7.991
 1261   2HB   PHE  70          1HB       PHE  70   5.146  -6.815  -6.815
 1262    HD1  PHE  70           HD2      PHE  70   4.089 -10.238 -10.238
 1263    HD2  PHE  70           HD1      PHE  70   7.460  -7.617  -7.617
 1264    HE1  PHE  70           HE2      PHE  70   5.499 -11.873 -11.873
 1265    HE2  PHE  70           HE1      PHE  70   8.882  -9.266  -9.266
 1266    HZ   PHE  70           HZ       PHE  70   7.881 -11.389 -11.389
 1267    H    GLN  71           H        GLN  71   3.372  -6.185  -6.185
 1268    HA   GLN  71           HA       GLN  71   2.322  -3.970  -3.970
 1269   1HB   GLN  71          2HB       GLN  71   2.212  -2.915  -2.915
 1270   2HB   GLN  71          1HB       GLN  71   3.588  -4.019  -4.019
 1271   1HG   GLN  71          2HG       GLN  71   2.608  -4.772  -4.772
 1272   2HG   GLN  71          1HG       GLN  71   1.573  -5.674  -5.674
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.999  -4.013  -4.013
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.092  -5.446  -5.446
 1275    H    GLU  72           H        GLU  72   0.746  -6.758  -6.758
 1276    HA   GLU  72           HA       GLU  72  -1.879  -5.519  -5.519
 1277   1HB   GLU  72          2HB       GLU  72  -1.307  -8.437  -8.437
 1278   2HB   GLU  72          1HB       GLU  72  -2.521  -7.724  -7.724
 1279   1HG   GLU  72          2HG       GLU  72  -0.149  -6.686  -6.686
 1280   2HG   GLU  72          1HG       GLU  72   0.291  -8.336  -8.336
 1281    H    PHE  73           H        PHE  73  -0.299  -7.400  -7.400
 1282    HA   PHE  73           HA       PHE  73  -2.611  -7.533  -7.533
 1283   1HB   PHE  73          2HB       PHE  73  -1.033  -8.983  -8.983
 1284   2HB   PHE  73          1HB       PHE  73   0.275  -8.042  -8.042
 1285    HD1  PHE  73           HD2      PHE  73  -2.258  -7.764  -7.764
 1286    HD2  PHE  73           HD1      PHE  73   1.800  -7.076  -7.076
 1287    HE1  PHE  73           HE2      PHE  73  -1.699  -6.903  -6.903
 1288    HE2  PHE  73           HE1      PHE  73   2.348  -6.243  -6.243
 1289    HZ   PHE  73           HZ       PHE  73   0.596  -6.146  -6.146
 1290    H    MET  74           H        MET  74   0.041  -5.180  -5.180
 1291    HA   MET  74           HA       MET  74  -0.984  -3.433  -3.433
 1292   1HB   MET  74          2HB       MET  74   1.011  -2.969  -2.969
 1293   2HB   MET  74          1HB       MET  74   0.839  -1.980  -1.980
 1294   1HG   MET  74          2HG       MET  74   1.368  -4.006  -4.006
 1295   2HG   MET  74          1HG       MET  74   1.689  -4.887  -4.887
 1296   1HE   MET  74          1HE       MET  74   2.272  -1.189  -1.189
 1297   2HE   MET  74          3HE       MET  74   2.767  -2.112  -2.112
 1298   3HE   MET  74          2HE       MET  74   3.959  -1.194  -1.194
 1299    H    ALA  75           H        ALA  75  -1.512  -3.918  -3.918
 1300    HA   ALA  75           HA       ALA  75  -2.444  -1.315  -1.315
 1301   1HB   ALA  75          2HB       ALA  75  -2.786  -4.157  -4.157
 1302   2HB   ALA  75          1HB       ALA  75  -3.650  -2.849  -2.849
 1303   3HB   ALA  75          3HB       ALA  75  -1.887  -2.848  -2.848
 1304    H    PHE  76           H        PHE  76  -4.370  -4.264  -4.264
 1305    HA   PHE  76           HA       PHE  76  -6.844  -2.785  -2.785
 1306   1HB   PHE  76          2HB       PHE  76  -6.822  -5.092  -5.092
 1307   2HB   PHE  76          1HB       PHE  76  -5.985  -5.591  -5.591
 1308    HD1  PHE  76           HD2      PHE  76  -9.177  -4.198  -4.198
 1309    HD2  PHE  76           HD1      PHE  76  -7.172  -6.004  -6.004
 1310    HE1  PHE  76           HE2      PHE  76 -11.354  -4.499  -4.499
 1311    HE2  PHE  76           HE1      PHE  76  -9.350  -6.300  -6.300
 1312    HZ   PHE  76           HZ       PHE  76 -11.441  -5.550  -5.550
 1313    H    VAL  77           H        VAL  77  -4.669  -4.280  -4.280
 1314    HA   VAL  77           HA       VAL  77  -6.135  -3.797  -3.797
 1315    HB   VAL  77           HB       VAL  77  -3.740  -4.747  -4.747
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.124  -1.836  -1.836
 1317   2HG1  VAL  77          1HG1      VAL  77  -1.939  -3.141  -3.141
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.786  -2.685  -2.685
 1319   1HG2  VAL  77          1HG2      VAL  77  -4.882  -3.374  -3.374
 1320   2HG2  VAL  77          3HG2      VAL  77  -4.275  -5.022  -5.022
 1321   3HG2  VAL  77          2HG2      VAL  77  -3.147  -3.686  -3.686
 1322    H    ALA  78           H        ALA  78  -4.198  -1.528  -1.528
 1323    HA   ALA  78           HA       ALA  78  -4.722   0.803   0.803
 1324   1HB   ALA  78          1HB       ALA  78  -3.479   0.078   0.078
 1325   2HB   ALA  78          3HB       ALA  78  -4.201   1.688   1.688
 1326   3HB   ALA  78          2HB       ALA  78  -2.957   1.268   1.268
 1327    H    MET  79           H        MET  79  -6.223  -0.712  -0.712
 1328    HA   MET  79           HA       MET  79  -8.160   1.322   1.322
 1329   1HB   MET  79          2HB       MET  79  -7.433  -0.643  -0.643
 1330   2HB   MET  79          1HB       MET  79  -8.364  -1.687  -1.687
 1331   1HG   MET  79          2HG       MET  79 -10.120  -1.269  -1.269
 1332   2HG   MET  79          1HG       MET  79 -10.162   0.328   0.328
 1333   1HE   MET  79          1HE       MET  79  -7.801  -1.606  -1.606
 1334   2HE   MET  79          3HE       MET  79  -8.904  -1.639  -1.639
 1335   3HE   MET  79          2HE       MET  79  -7.430  -0.676  -0.676
 1336    H    ILE  80           H        ILE  80  -8.007  -1.237  -1.237
 1337    HA   ILE  80           HA       ILE  80 -10.836  -1.181  -1.181
 1338    HB   ILE  80           HB       ILE  80  -8.769  -1.874  -1.874
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.070  -3.322  -3.322
 1340   2HG1  ILE  80          1HG1      ILE  80  -7.592  -2.753  -2.753
 1341   1HG2  ILE  80          3HG2      ILE  80 -11.424  -2.256  -2.256
 1342   2HG2  ILE  80          2HG2      ILE  80 -10.879  -3.742  -3.742
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.363  -3.367  -3.367
 1344   1HD1  ILE  80          2HD1      ILE  80  -7.917  -4.352  -4.352
 1345   2HD1  ILE  80          1HD1      ILE  80  -9.387  -4.941  -4.941
 1346   3HD1  ILE  80          3HD1      ILE  80  -7.823  -5.180  -5.180
 1347    H    THR  81           H        THR  81  -7.993  -0.062  -0.062
 1348    HA   THR  81           HA       THR  81  -9.370   1.516   1.516
 1349    HB   THR  81           HB       THR  81  -6.634   1.811   1.811
 1350    HG1  THR  81           HG1      THR  81  -7.686   0.050   0.050
 1351   1HG2  THR  81          1HG2      THR  81  -7.990   3.639   3.639
 1352   2HG2  THR  81          3HG2      THR  81  -6.845   2.799   2.799
 1353   3HG2  THR  81          2HG2      THR  81  -6.271   3.633   3.633
 1354    H    THR  82           H        THR  82  -8.667   2.179   2.179
 1355    HA   THR  82           HA       THR  82  -9.028   5.072   5.072
 1356    HB   THR  82           HB       THR  82  -9.441   4.580   4.580
 1357    HG1  THR  82           HG1      THR  82  -8.041   2.257   2.257
 1358   1HG2  THR  82          3HG2      THR  82  -7.313   5.369   5.369
 1359   2HG2  THR  82          2HG2      THR  82  -6.734   3.750   3.750
 1360   3HG2  THR  82          1HG2      THR  82  -7.166   4.868   4.868
 1361    H    ALA  83           H        ALA  83 -11.108   2.340   2.340
 1362    HA   ALA  83           HA       ALA  83 -13.414   3.764   3.764
 1363   1HB   ALA  83          1HB       ALA  83 -12.955   1.312   1.312
 1364   2HB   ALA  83          3HB       ALA  83 -13.214   1.155   1.155
 1365   3HB   ALA  83          2HB       ALA  83 -14.543   1.645   1.645
 1366    H    CYS  84           H        CYS  84 -12.580   2.529   2.529
 1367    HA   CYS  84           HA       CYS  84 -14.788   3.339   3.339
 1368   1HB   CYS  84          2HB       CYS  84 -12.982   2.165   2.165
 1369   2HB   CYS  84          1HB       CYS  84 -11.816   3.408   3.408
 1370    HG   CYS  84           HG       CYS  84 -13.241   3.425   3.425
 1371    H    HIS  85           H        HIS  85 -12.090   5.393   5.393
 1372    HA   HIS  85           HA       HIS  85 -11.899   7.747   7.747
 1373   1HB   HIS  85          2HB       HIS  85 -13.913   7.315   7.315
 1374   2HB   HIS  85          1HB       HIS  85 -14.922   7.460   7.460
 1375    HD1  HIS  85           HD1      HIS  85 -15.658   9.776   9.776
 1376    HD2  HIS  85           HD2      HIS  85 -12.440   9.836   9.836
 1377    HE1  HIS  85           HE1      HIS  85 -15.285  12.203  12.203
 1378    H    GLU  86           H        GLU  86 -11.035   8.343   8.343
 1379    HA   GLU  86           HA       GLU  86 -12.561   9.875   9.875
 1380   1HB   GLU  86          2HB       GLU  86 -12.831   6.992   6.992
 1381   2HB   GLU  86          1HB       GLU  86 -12.196   7.686   7.686
 1382   1HG   GLU  86          2HG       GLU  86 -14.186   8.614   8.614
 1383   2HG   GLU  86          1HG       GLU  86 -14.332   9.325   9.325
 1384    H    PHE  87           H        PHE  87  -9.927   9.883   9.883
 1385    HA   PHE  87           HA       PHE  87  -8.319  10.606  10.606
 1386   1HB   PHE  87          2HB       PHE  87  -6.764   8.685   8.685
 1387   2HB   PHE  87          1HB       PHE  87  -8.390   8.160   8.160
 1388    HD1  PHE  87           HD1      PHE  87  -5.811   8.263   8.263
 1389    HD2  PHE  87           HD2      PHE  87  -9.694   6.842   6.842
 1390    HE1  PHE  87           HE1      PHE  87  -5.969   6.683   6.683
 1391    HE2  PHE  87           HE2      PHE  87  -9.795   5.303   5.303
 1392    HZ   PHE  87           HZ       PHE  87  -7.933   5.226   5.226
 1393    H    PHE  88           H        PHE  88  -5.820   9.645   9.645
 1394    HA   PHE  88           HA       PHE  88  -4.281  10.370  10.370
 1395   1HB   PHE  88          2HB       PHE  88  -6.910   9.914   9.914
 1396   2HB   PHE  88          1HB       PHE  88  -5.739  10.838  10.838
 1397    HD1  PHE  88           HD1      PHE  88  -4.071   8.544   8.544
 1398    HD2  PHE  88           HD2      PHE  88  -6.077   8.802   8.802
 1399    HE1  PHE  88           HE1      PHE  88  -2.990   6.428   6.428
 1400    HE2  PHE  88           HE2      PHE  88  -5.009   6.704   6.704
 1401    HZ   PHE  88           HZ       PHE  88  -3.457   5.510   5.510
 1402    H    GLU  89           H        GLU  89  -5.854  12.226  12.226
 1403    HA   GLU  89           HA       GLU  89  -5.236  14.632  14.632
 1404   1HB   GLU  89          2HB       GLU  89  -4.411  14.740  14.740
 1405   2HB   GLU  89          1HB       GLU  89  -6.079  14.704  14.704
 1406   1HG   GLU  89          2HG       GLU  89  -5.069  17.021  17.021
 1407   2HG   GLU  89          1HG       GLU  89  -6.576  16.805  16.805
 1408    H    HIS  90           H        HIS  90  -6.834  16.136  16.136
 1409    HA   HIS  90           HA       HIS  90  -9.500  15.107  15.107
 1410   1HB   HIS  90          2HB       HIS  90  -8.449  17.942  17.942
 1411   2HB   HIS  90          1HB       HIS  90  -9.863  17.271  17.271
 1412    HD1  HIS  90           HD1      HIS  90  -9.315  15.186  15.186
 1413    HD2  HIS  90           HD2      HIS  90  -6.078  17.576  17.576
 1414    HE1  HIS  90           HE1      HIS  90  -7.474  14.700  14.700
 1415    H    GLU  91           H        GLU  91  -8.272  17.817  17.817
 1416    HA   GLU  91           HA       GLU  91 -10.153  17.232  17.232
 1417   1HB   GLU  91          2HB       GLU  91 -11.354  18.365  18.365
 1418   2HB   GLU  91          1HB       GLU  91 -10.687  19.836  19.836
 1419   1HG   GLU  91          2HG       GLU  91 -12.365  19.856  19.856
 1420   2HG   GLU  91          1HG       GLU  91 -11.788  18.317  18.317

  Start of MODEL   18
    1   1H    MET   0          1H        MET   0  -0.004  -9.777  -9.777
    2   2H    MET   0          3H        MET   0  -0.460  -9.773  -9.773
    3   3H    MET   0          2H        MET   0  -0.144 -11.245 -11.245
    4    HA   MET   0           HA       MET   0  -2.083 -11.037 -11.037
    5   1HB   MET   0          2HB       MET   0  -2.413 -12.012 -12.012
    6   2HB   MET   0          1HB       MET   0  -2.386 -10.431 -10.431
    7   1HG   MET   0          2HG       MET   0  -4.483  -9.809  -9.809
    8   2HG   MET   0          1HG       MET   0  -4.471 -11.246 -11.246
    9   1HE   MET   0          1HE       MET   0  -5.929  -9.554  -9.554
   10   2HE   MET   0          3HE       MET   0  -7.176 -10.754 -10.754
   11   3HE   MET   0          2HE       MET   0  -6.009 -10.281 -10.281
   12    H    SER   1           H        SER   1  -2.343  -8.395  -8.395
   13    HA   SER   1           HA       SER   1  -3.967  -6.794  -6.794
   14   1HB   SER   1          2HB       SER   1  -2.939  -6.583  -6.583
   15   2HB   SER   1          1HB       SER   1  -3.695  -5.192  -5.192
   16    HG   SER   1           HG       SER   1  -4.948  -7.697  -7.697
   17    H    GLU   2           H        GLU   2  -0.701  -7.338  -7.338
   18    HA   GLU   2           HA       GLU   2   0.698  -4.959  -4.959
   19   1HB   GLU   2          2HB       GLU   2   0.880  -7.563  -7.563
   20   2HB   GLU   2          1HB       GLU   2   1.659  -6.302  -6.302
   21   1HG   GLU   2          2HG       GLU   2   3.277  -5.914  -5.914
   22   2HG   GLU   2          1HG       GLU   2   2.194  -6.261  -6.261
   23    H    LEU   3           H        LEU   3  -1.646  -5.969  -5.969
   24    HA   LEU   3           HA       LEU   3  -0.929  -3.942  -3.942
   25   1HB   LEU   3          2HB       LEU   3  -3.552  -5.418  -5.418
   26   2HB   LEU   3          1HB       LEU   3  -2.718  -4.913  -4.913
   27    HG   LEU   3           HG       LEU   3  -0.919  -6.587  -6.587
   28   1HD1  LEU   3          3HD1      LEU   3  -3.046  -7.335  -7.335
   29   2HD1  LEU   3          2HD1      LEU   3  -3.598  -7.934  -7.934
   30   3HD1  LEU   3          1HD1      LEU   3  -2.148  -8.611  -8.611
   31   1HD2  LEU   3          3HD2      LEU   3  -2.105  -6.283  -6.283
   32   2HD2  LEU   3          2HD2      LEU   3  -0.630  -7.151  -7.151
   33   3HD2  LEU   3          1HD2      LEU   3  -2.184  -7.987  -7.987
   34    H    GLU   4           H        GLU   4  -3.890  -4.400  -4.400
   35    HA   GLU   4           HA       GLU   4  -5.017  -1.840  -1.840
   36   1HB   GLU   4          2HB       GLU   4  -6.197  -3.636  -3.636
   37   2HB   GLU   4          1HB       GLU   4  -5.019  -3.684  -3.684
   38   1HG   GLU   4          2HG       GLU   4  -5.713  -1.127  -1.127
   39   2HG   GLU   4          1HG       GLU   4  -7.193  -1.701  -1.701
   40    H    LYS   5           H        LYS   5  -2.593  -2.933  -2.933
   41    HA   LYS   5           HA       LYS   5  -2.362  -0.435  -0.435
   42   1HB   LYS   5          2HB       LYS   5  -0.281  -2.607  -2.607
   43   2HB   LYS   5          1HB       LYS   5  -0.432  -1.537  -1.537
   44   1HG   LYS   5          2HG       LYS   5  -2.863  -3.122  -3.122
   45   2HG   LYS   5          1HG       LYS   5  -1.461  -4.076  -4.076
   46   1HD   LYS   5          2HD       LYS   5  -1.448  -1.894  -1.894
   47   2HD   LYS   5          1HD       LYS   5  -3.149  -2.342  -2.342
   48   1HE   LYS   5          2HE       LYS   5  -2.414  -4.760  -4.760
   49   2HE   LYS   5          1HE       LYS   5  -0.836  -4.094  -4.094
   50   1HZ   LYS   5          2HZ       LYS   5  -2.448  -2.453  -2.453
   51   2HZ   LYS   5          1HZ       LYS   5  -3.413  -3.851  -3.851
   52   3HZ   LYS   5          3HZ       LYS   5  -1.852  -3.890  -3.890
   53    H    ALA   6           H        ALA   6  -0.573  -1.923  -1.923
   54    HA   ALA   6           HA       ALA   6   1.224   0.296   0.296
   55   1HB   ALA   6          2HB       ALA   6   0.157  -1.981  -1.981
   56   2HB   ALA   6          1HB       ALA   6   1.335  -0.828  -0.828
   57   3HB   ALA   6          3HB       ALA   6   1.747  -1.848  -1.848
   58    H    VAL   7           H        VAL   7  -2.044  -0.526  -0.526
   59    HA   VAL   7           HA       VAL   7  -2.422   1.473   1.473
   60    HB   VAL   7           HB       VAL   7  -3.900  -0.477  -0.477
   61   1HG1  VAL   7          2HG1      VAL   7  -5.259   2.048   2.048
   62   2HG1  VAL   7          1HG1      VAL   7  -6.132   0.553   0.553
   63   3HG1  VAL   7          3HG1      VAL   7  -5.245   1.372   1.372
   64   1HG2  VAL   7          3HG2      VAL   7  -3.552   0.311   0.311
   65   2HG2  VAL   7          2HG2      VAL   7  -3.820  -1.287  -1.287
   66   3HG2  VAL   7          1HG2      VAL   7  -5.188  -0.217  -0.217
   67    H    VAL   8           H        VAL   8  -3.211   1.389   1.389
   68    HA   VAL   8           HA       VAL   8  -4.325   3.940   3.940
   69    HB   VAL   8           HB       VAL   8  -2.494   2.229   2.229
   70   1HG1  VAL   8          3HG1      VAL   8  -3.898   4.819   4.819
   71   2HG1  VAL   8          2HG1      VAL   8  -3.280   3.685   3.685
   72   3HG1  VAL   8          1HG1      VAL   8  -2.169   4.484   4.484
   73   1HG2  VAL   8          1HG2      VAL   8  -4.861   1.504   1.504
   74   2HG2  VAL   8          3HG2      VAL   8  -4.524   1.599   1.599
   75   3HG2  VAL   8          2HG2      VAL   8  -5.434   2.885   2.885
   76    H    ALA   9           H        ALA   9  -0.908   2.976   2.976
   77    HA   ALA   9           HA       ALA   9   0.254   5.534   5.534
   78   1HB   ALA   9          1HB       ALA   9   1.035   2.901   2.901
   79   2HB   ALA   9          3HB       ALA   9   1.742   3.877   3.877
   80   3HB   ALA   9          2HB       ALA   9   2.104   4.246   4.246
   81    H    LEU  10           H        LEU  10  -0.716   3.983   3.983
   82    HA   LEU  10           HA       LEU  10   0.314   5.997   5.997
   83   1HB   LEU  10          2HB       LEU  10  -2.168   4.278   4.278
   84   2HB   LEU  10          1HB       LEU  10  -1.241   5.019   5.019
   85    HG   LEU  10           HG       LEU  10  -0.199   2.929   2.929
   86   1HD1  LEU  10          2HD1      LEU  10  -1.144   2.828   2.828
   87   2HD1  LEU  10          1HD1      LEU  10  -0.055   1.608   1.608
   88   3HD1  LEU  10          3HD1      LEU  10  -1.662   1.827   1.827
   89   1HD2  LEU  10          2HD2      LEU  10   1.184   4.866   4.866
   90   2HD2  LEU  10          1HD2      LEU  10   1.873   3.435   3.435
   91   3HD2  LEU  10          3HD2      LEU  10   1.344   3.369   3.369
   92    H    ILE  11           H        ILE  11  -2.709   5.783   5.783
   93    HA   ILE  11           HA       ILE  11  -4.033   8.011   8.011
   94    HB   ILE  11           HB       ILE  11  -5.633   7.713   7.713
   95   1HG1  ILE  11          2HG1      ILE  11  -4.661   6.530   6.530
   96   2HG1  ILE  11          1HG1      ILE  11  -3.283   7.513   7.513
   97   1HG2  ILE  11          2HG2      ILE  11  -4.396   5.353   5.353
   98   2HG2  ILE  11          1HG2      ILE  11  -4.662   5.137   5.137
   99   3HG2  ILE  11          3HG2      ILE  11  -6.015   5.522   5.522
  100   1HD1  ILE  11          2HD1      ILE  11  -4.825   9.474   9.474
  101   2HD1  ILE  11          1HD1      ILE  11  -6.111   8.466   8.466
  102   3HD1  ILE  11          3HD1      ILE  11  -4.698   8.842   8.842
  103    H    ASP  12           H        ASP  12  -1.556   7.668   7.668
  104    HA   ASP  12           HA       ASP  12  -1.628  10.411  10.411
  105   1HB   ASP  12          2HB       ASP  12  -0.527   8.027   8.027
  106   2HB   ASP  12          1HB       ASP  12   0.876   8.803   8.803
  107    H    VAL  13           H        VAL  13  -0.155   8.599   8.599
  108    HA   VAL  13           HA       VAL  13   1.764  10.594  10.594
  109    HB   VAL  13           HB       VAL  13   0.426   8.230   8.230
  110   1HG1  VAL  13          1HG1      VAL  13   1.556  10.174  10.174
  111   2HG1  VAL  13          3HG1      VAL  13   3.043   9.383   9.383
  112   3HG1  VAL  13          2HG1      VAL  13   1.845   8.483   8.483
  113   1HG2  VAL  13          3HG2      VAL  13   2.455   8.479   8.479
  114   2HG2  VAL  13          2HG2      VAL  13   1.845   7.008   7.008
  115   3HG2  VAL  13          1HG2      VAL  13   3.205   7.871   7.871
  116    H    PHE  14           H        PHE  14  -1.281   9.491   9.491
  117    HA   PHE  14           HA       PHE  14  -1.444  11.587  11.587
  118   1HB   PHE  14          2HB       PHE  14  -3.500   9.820   9.820
  119   2HB   PHE  14          1HB       PHE  14  -4.039  11.295  11.295
  120    HD1  PHE  14           HD2      PHE  14  -3.234  11.909  11.909
  121    HD2  PHE  14           HD1      PHE  14  -2.962   7.940   7.940
  122    HE1  PHE  14           HE2      PHE  14  -2.969  11.038  11.038
  123    HE2  PHE  14           HE1      PHE  14  -2.697   7.046   7.046
  124    HZ   PHE  14           HZ       PHE  14  -2.704   8.602   8.602
  125    H    HIS  15           H        HIS  15  -2.496  11.530  11.530
  126    HA   HIS  15           HA       HIS  15  -3.759  14.002  14.002
  127   1HB   HIS  15          2HB       HIS  15  -3.391  12.291  12.291
  128   2HB   HIS  15          1HB       HIS  15  -1.676  12.698  12.698
  129    HD1  HIS  15           HD1      HIS  15  -4.625  13.398  13.398
  130    HD2  HIS  15           HD2      HIS  15  -1.475  15.770  15.770
  131    HE1  HIS  15           HE1      HIS  15  -4.662  15.507  15.507
  132    H    GLN  16           H        GLN  16  -0.245  13.390  13.390
  133    HA   GLN  16           HA       GLN  16   0.356  16.262  16.262
  134   1HB   GLN  16          2HB       GLN  16   1.739  14.790  14.790
  135   2HB   GLN  16          1HB       GLN  16   1.961  13.692  13.692
  136   1HG   GLN  16          2HG       GLN  16   3.185  15.484  15.484
  137   2HG   GLN  16          1HG       GLN  16   3.002  16.534  16.534
  138   1HE2  GLN  16          2HE2      GLN  16   5.264  13.173  13.173
  139   2HE2  GLN  16          1HE2      GLN  16   3.790  13.021  13.021
  140    H    TYR  17           H        TYR  17   1.428  13.587  13.587
  141    HA   TYR  17           HA       TYR  17   2.518  14.910  14.910
  142   1HB   TYR  17          2HB       TYR  17   0.786  12.479  12.479
  143   2HB   TYR  17          1HB       TYR  17   1.311  12.959  12.959
  144    HD1  TYR  17           HD2      TYR  17   2.409  11.825  11.825
  145    HD2  TYR  17           HD1      TYR  17   3.649  12.940  12.940
  146    HE1  TYR  17           HE2      TYR  17   4.635  10.809  10.809
  147    HE2  TYR  17           HE1      TYR  17   5.884  11.964  11.964
  148    HH   TYR  17           HH       TYR  17   7.274  11.497  11.497
  149    H    SER  18           H        SER  18  -0.944  13.998  13.998
  150    HA   SER  18           HA       SER  18  -1.462  15.953  15.953
  151   1HB   SER  18          2HB       SER  18  -3.232  14.567  14.567
  152   2HB   SER  18          1HB       SER  18  -2.280  13.451  13.451
  153    HG   SER  18           HG       SER  18  -3.456  14.290  14.290
  154    H    GLY  19           H        GLY  19  -1.245  16.436  16.436
  155   1HA   GLY  19          2HA       GLY  19  -3.182  18.657  18.657
  156   2HA   GLY  19          1HA       GLY  19  -3.553  17.425  17.425
  157    H    ARG  20           H        ARG  20  -0.185  17.932  17.932
  158    HA   ARG  20           HA       ARG  20   0.112  18.969  18.969
  159   1HB   ARG  20          2HB       ARG  20   2.519  18.747  18.747
  160   2HB   ARG  20          1HB       ARG  20   1.650  17.290  17.290
  161   1HG   ARG  20          2HG       ARG  20   1.444  18.472  18.472
  162   2HG   ARG  20          1HG       ARG  20   2.780  19.461  19.461
  163   1HD   ARG  20          2HD       ARG  20   2.768  16.426  16.426
  164   2HD   ARG  20          1HD       ARG  20   3.707  17.558  17.558
  165    HE   ARG  20           HE       ARG  20   4.164  17.987  17.987
  166   1HH1  ARG  20          1HH2      ARG  20   4.868  15.884  15.884
  167   2HH1  ARG  20          2HH2      ARG  20   6.460  15.500  15.500
  168   1HH2  ARG  20          2HH1      ARG  20   6.271  17.562  17.562
  169   2HH2  ARG  20          1HH1      ARG  20   7.254  16.449  16.449
  170    H    GLU  21           H        GLU  21  -0.695  20.460  20.460
  171    HA   GLU  21           HA       GLU  21   0.170  23.093  23.093
  172   1HB   GLU  21          2HB       GLU  21   2.100  22.051  22.051
  173   2HB   GLU  21          1HB       GLU  21   1.077  22.091  22.091
  174   1HG   GLU  21          2HG       GLU  21   1.043  24.657  24.657
  175   2HG   GLU  21          1HG       GLU  21   2.697  24.175  24.175
  176    H    GLY  22           H        GLY  22  -0.814  21.673  21.673
  177   1HA   GLY  22          2HA       GLY  22  -3.341  23.243  23.243
  178   2HA   GLY  22          1HA       GLY  22  -2.313  23.414  23.414
  179    H    ASP  23           H        ASP  23  -3.675  22.441  22.441
  180    HA   ASP  23           HA       ASP  23  -4.803  20.680  20.680
  181   1HB   ASP  23          2HB       ASP  23  -2.277  19.874  19.874
  182   2HB   ASP  23          1HB       ASP  23  -3.382  18.521  18.521
  183    H    LYS  24           H        LYS  24  -5.268  18.022  18.022
  184    HA   LYS  24           HA       LYS  24  -6.783  18.357  18.357
  185   1HB   LYS  24          2HB       LYS  24  -7.852  17.818  17.818
  186   2HB   LYS  24          1HB       LYS  24  -8.714  17.198  17.198
  187   1HG   LYS  24          2HG       LYS  24  -9.689  19.225  19.225
  188   2HG   LYS  24          1HG       LYS  24  -8.118  19.842  19.842
  189   1HD   LYS  24          2HD       LYS  24  -7.947  21.045  21.045
  190   2HD   LYS  24          1HD       LYS  24  -8.101  19.577  19.577
  191   1HE   LYS  24          2HE       LYS  24 -10.534  19.740  19.740
  192   2HE   LYS  24          1HE       LYS  24 -10.456  21.125  21.125
  193   1HZ   LYS  24          1HZ       LYS  24  -8.866  21.250  21.250
  194   2HZ   LYS  24          3HZ       LYS  24 -10.540  21.458  21.458
  195   3HZ   LYS  24          2HZ       LYS  24  -9.646  22.497  22.497
  196    H    HIS  25           H        HIS  25  -7.288  15.788  15.788
  197    HA   HIS  25           HA       HIS  25  -5.643  13.960  13.960
  198   1HB   HIS  25          2HB       HIS  25  -8.374  13.442  13.442
  199   2HB   HIS  25          1HB       HIS  25  -7.471  12.336  12.336
  200    HD1  HIS  25           HD1      HIS  25 -10.278  14.199  14.199
  201    HD2  HIS  25           HD2      HIS  25  -6.622  14.344  14.344
  202    HE1  HIS  25           HE1      HIS  25 -10.727  15.305  15.305
  203    H    LYS  26           H        LYS  26  -4.441  14.935  14.935
  204    HA   LYS  26           HA       LYS  26  -4.188  12.580  12.580
  205   1HB   LYS  26          2HB       LYS  26  -4.836  15.397  15.397
  206   2HB   LYS  26          1HB       LYS  26  -4.397  14.055  14.055
  207   1HG   LYS  26          2HG       LYS  26  -6.686  13.851  13.851
  208   2HG   LYS  26          1HG       LYS  26  -6.402  12.869  12.869
  209   1HD   LYS  26          2HD       LYS  26  -6.571  15.257  15.257
  210   2HD   LYS  26          1HD       LYS  26  -7.549  15.617  15.617
  211   1HE   LYS  26          2HE       LYS  26  -8.095  13.046  13.046
  212   2HE   LYS  26          1HE       LYS  26  -8.663  14.556  14.556
  213   1HZ   LYS  26          3HZ       LYS  26  -9.094  13.866  13.866
  214   2HZ   LYS  26          2HZ       LYS  26 -10.240  13.559  13.559
  215   3HZ   LYS  26          1HZ       LYS  26  -9.779  15.156  15.156
  216    H    LEU  27           H        LEU  27  -2.183  13.097  13.097
  217    HA   LEU  27           HA       LEU  27  -0.320  14.998  14.998
  218   1HB   LEU  27          2HB       LEU  27  -0.065  12.031  12.031
  219   2HB   LEU  27          1HB       LEU  27   1.379  13.033  13.033
  220    HG   LEU  27           HG       LEU  27  -0.520  13.734  13.734
  221   1HD1  LEU  27          3HD1      LEU  27  -0.863  11.118  11.118
  222   2HD1  LEU  27          2HD1      LEU  27   0.493  10.988  10.988
  223   3HD1  LEU  27          1HD1      LEU  27  -1.013  11.744  11.744
  224   1HD2  LEU  27          2HD2      LEU  27   2.270  13.443  13.443
  225   2HD2  LEU  27          1HD2      LEU  27   1.461  14.096  14.096
  226   3HD2  LEU  27          3HD2      LEU  27   1.852  12.378  12.378
  227    H    LYS  28           H        LYS  28   1.801  15.114  15.114
  228    HA   LYS  28           HA       LYS  28   1.129  14.949  14.949
  229   1HB   LYS  28          2HB       LYS  28   2.748  17.088  17.088
  230   2HB   LYS  28          1HB       LYS  28   2.186  17.117  17.117
  231   1HG   LYS  28          2HG       LYS  28  -0.182  17.004  17.004
  232   2HG   LYS  28          1HG       LYS  28   0.497  17.268  17.268
  233   1HD   LYS  28          2HD       LYS  28   1.555  19.368  19.368
  234   2HD   LYS  28          1HD       LYS  28   0.777  19.118  19.118
  235   1HE   LYS  28          2HE       LYS  28  -0.917  19.096  19.096
  236   2HE   LYS  28          1HE       LYS  28  -0.412  20.648  20.648
  237   1HZ   LYS  28          2HZ       LYS  28  -1.123  19.643  19.643
  238   2HZ   LYS  28          1HZ       LYS  28  -1.937  18.464  18.464
  239   3HZ   LYS  28          3HZ       LYS  28  -2.366  20.098  20.098
  240    H    LYS  29           H        LYS  29   3.121  14.838  14.838
  241    HA   LYS  29           HA       LYS  29   4.896  12.788  12.788
  242   1HB   LYS  29          2HB       LYS  29   5.351  15.318  15.318
  243   2HB   LYS  29          1HB       LYS  29   6.326  13.854  13.854
  244   1HG   LYS  29          2HG       LYS  29   3.393  14.196  14.196
  245   2HG   LYS  29          1HG       LYS  29   4.701  13.723  13.723
  246   1HD   LYS  29          2HD       LYS  29   5.030  11.676  11.676
  247   2HD   LYS  29          1HD       LYS  29   3.516  12.111  12.111
  248   1HE   LYS  29          2HE       LYS  29   2.734  10.669  10.669
  249   2HE   LYS  29          1HE       LYS  29   2.627  12.228  12.228
  250   1HZ   LYS  29          3HZ       LYS  29   5.225  10.920  10.920
  251   2HZ   LYS  29          2HZ       LYS  29   4.018  10.177  10.177
  252   3HZ   LYS  29          1HZ       LYS  29   4.446  11.795  11.795
  253    H    SER  30           H        SER  30   5.160  16.204  16.204
  254    HA   SER  30           HA       SER  30   7.877  16.042  16.042
  255   1HB   SER  30          2HB       SER  30   5.539  17.924  17.924
  256   2HB   SER  30          1HB       SER  30   7.102  18.216  18.216
  257    HG   SER  30           HG       SER  30   6.323  18.427  18.427
  258    H    GLU  31           H        GLU  31   4.684  16.057  16.057
  259    HA   GLU  31           HA       GLU  31   5.750  15.637  15.637
  260   1HB   GLU  31          2HB       GLU  31   3.048  14.871  14.871
  261   2HB   GLU  31          1HB       GLU  31   3.415  15.174  15.174
  262   1HG   GLU  31          2HG       GLU  31   4.145  17.511  17.511
  263   2HG   GLU  31          1HG       GLU  31   3.420  17.168  17.168
  264    H    LEU  32           H        LEU  32   4.301  13.386  13.386
  265    HA   LEU  32           HA       LEU  32   4.500  10.972  10.972
  266   1HB   LEU  32          2HB       LEU  32   3.525  11.179  11.179
  267   2HB   LEU  32          1HB       LEU  32   5.075  11.672  11.672
  268    HG   LEU  32           HG       LEU  32   6.014   9.507   9.507
  269   1HD1  LEU  32          1HD1      LEU  32   3.768   9.167   9.167
  270   2HD1  LEU  32          3HD1      LEU  32   4.427   7.734   7.734
  271   3HD1  LEU  32          2HD1      LEU  32   5.477   8.768   8.768
  272   1HD2  LEU  32          3HD2      LEU  32   4.016   9.839   9.839
  273   2HD2  LEU  32          2HD2      LEU  32   4.679   8.229   8.229
  274   3HD2  LEU  32          1HD2      LEU  32   3.185   8.712   8.712
  275    H    LYS  33           H        LYS  33   7.047  12.373  12.373
  276    HA   LYS  33           HA       LYS  33   9.143  10.603  10.603
  277   1HB   LYS  33          2HB       LYS  33   8.752  13.389  13.389
  278   2HB   LYS  33          1HB       LYS  33  10.226  13.204  13.204
  279   1HG   LYS  33          2HG       LYS  33   9.533  11.524  11.524
  280   2HG   LYS  33          1HG       LYS  33  10.612  12.920  12.920
  281   1HD   LYS  33          2HD       LYS  33  12.314  11.601  11.601
  282   2HD   LYS  33          1HD       LYS  33  11.450  11.246  11.246
  283   1HE   LYS  33          2HE       LYS  33  10.863   9.168   9.168
  284   2HE   LYS  33          1HE       LYS  33  10.405   9.769   9.769
  285   1HZ   LYS  33          3HZ       LYS  33  12.963  10.164  10.164
  286   2HZ   LYS  33          2HZ       LYS  33  13.046   8.949   8.949
  287   3HZ   LYS  33          1HZ       LYS  33  12.313   8.628   8.628
  288    H    GLU  34           H        GLU  34   8.516  13.503  13.503
  289    HA   GLU  34           HA       GLU  34  10.314  13.014  13.014
  290   1HB   GLU  34          2HB       GLU  34   7.979  14.574  14.574
  291   2HB   GLU  34          1HB       GLU  34   7.766  13.853  13.853
  292   1HG   GLU  34          2HG       GLU  34   9.332  15.210  15.210
  293   2HG   GLU  34          1HG       GLU  34  10.482  14.850  14.850
  294    H    LEU  35           H        LEU  35   7.049  11.763  11.763
  295    HA   LEU  35           HA       LEU  35   6.696  10.275  10.275
  296   1HB   LEU  35          2HB       LEU  35   5.246  10.872  10.872
  297   2HB   LEU  35          1HB       LEU  35   5.757   9.259   9.259
  298    HG   LEU  35           HG       LEU  35   4.870   9.381   9.381
  299   1HD1  LEU  35          1HD1      LEU  35   3.382  11.013  11.013
  300   2HD1  LEU  35          3HD1      LEU  35   2.592   9.470   9.470
  301   3HD1  LEU  35          2HD1      LEU  35   2.699  10.074  10.074
  302   1HD2  LEU  35          1HD2      LEU  35   5.319   7.445   7.445
  303   2HD2  LEU  35          3HD2      LEU  35   4.149   7.260   7.260
  304   3HD2  LEU  35          2HD2      LEU  35   3.600   7.702   7.702
  305    H    ILE  36           H        ILE  36   8.550   9.513   9.513
  306    HA   ILE  36           HA       ILE  36   9.014   6.742   6.742
  307    HB   ILE  36           HB       ILE  36  10.405   8.185   8.185
  308   1HG1  ILE  36          2HG1      ILE  36   8.148   8.878   8.878
  309   2HG1  ILE  36          1HG1      ILE  36   8.386   7.482   7.482
  310   1HG2  ILE  36          3HG2      ILE  36  10.931   5.814   5.814
  311   2HG2  ILE  36          2HG2      ILE  36   9.252   5.403   5.403
  312   3HG2  ILE  36          1HG2      ILE  36  10.295   6.011   6.011
  313   1HD1  ILE  36          3HD1      ILE  36   7.579   6.260   6.260
  314   2HD1  ILE  36          2HD1      ILE  36   6.674   7.770   7.770
  315   3HD1  ILE  36          1HD1      ILE  36   6.487   6.714   6.714
  316    H    ASN  37           H        ASN  37  10.755   9.828   9.828
  317    HA   ASN  37           HA       ASN  37  13.321   8.748   8.748
  318   1HB   ASN  37          2HB       ASN  37  12.436  11.616  11.616
  319   2HB   ASN  37          1HB       ASN  37  14.047  10.968  10.968
  320   1HD2  ASN  37          2HD2      ASN  37  12.731   9.653   9.653
  321   2HD2  ASN  37          1HD2      ASN  37  13.267   8.892   8.892
  322    H    ASN  38           H        ASN  38  10.510  10.159  10.159
  323    HA   ASN  38           HA       ASN  38  11.840  10.751  10.751
  324   1HB   ASN  38          2HB       ASN  38   9.016  10.549  10.549
  325   2HB   ASN  38          1HB       ASN  38   9.315  10.790  10.790
  326   1HD2  ASN  38          2HD2      ASN  38  10.521  13.773  13.773
  327   2HD2  ASN  38          1HD2      ASN  38  10.531  12.164  12.164
  328    H    GLU  39           H        GLU  39  10.906   7.917   7.917
  329    HA   GLU  39           HA       GLU  39  10.742   6.392   6.392
  330   1HB   GLU  39          2HB       GLU  39   9.305   4.853   4.853
  331   2HB   GLU  39          1HB       GLU  39   8.649   6.484   6.484
  332   1HG   GLU  39          2HG       GLU  39   9.552   7.031   7.031
  333   2HG   GLU  39          1HG       GLU  39  10.241   5.419   5.419
  334    H    LEU  40           H        LEU  40  11.830   6.304   6.304
  335    HA   LEU  40           HA       LEU  40  13.649   4.039   4.039
  336   1HB   LEU  40          2HB       LEU  40  12.707   5.160   5.160
  337   2HB   LEU  40          1HB       LEU  40  13.722   3.729   3.729
  338    HG   LEU  40           HG       LEU  40  11.137   3.861   3.861
  339   1HD1  LEU  40          1HD1      LEU  40  11.291   4.174   4.174
  340   2HD1  LEU  40          3HD1      LEU  40  10.755   2.523   2.523
  341   3HD1  LEU  40          2HD1      LEU  40   9.852   3.884   3.884
  342   1HD2  LEU  40          3HD2      LEU  40  13.061   2.022   2.022
  343   2HD2  LEU  40          2HD2      LEU  40  11.361   1.560   1.560
  344   3HD2  LEU  40          1HD2      LEU  40  12.197   1.483   1.483
  345    H    SER  41           H        SER  41  14.858   5.981   5.981
  346    HA   SER  41           HA       SER  41  16.164   8.094   8.094
  347   1HB   SER  41          2HB       SER  41  16.378   7.220   7.220
  348   2HB   SER  41          1HB       SER  41  17.461   5.969   5.969
  349    HG   SER  41           HG       SER  41  17.959   8.658   8.658
  350    H    HIS  42           H        HIS  42  16.984   4.654   4.654
  351    HA   HIS  42           HA       HIS  42  19.416   4.809   4.809
  352   1HB   HIS  42          2HB       HIS  42  17.039   3.026   3.026
  353   2HB   HIS  42          1HB       HIS  42  18.097   2.820   2.820
  354    HD1  HIS  42           HD1      HIS  42  19.241   0.656   0.656
  355    HD2  HIS  42           HD2      HIS  42  19.482   3.636   3.636
  356    HE1  HIS  42           HE1      HIS  42  20.856  -0.186  -0.186
  357    H    PHE  43           H        PHE  43  16.179   5.666   5.666
  358    HA   PHE  43           HA       PHE  43  16.870   5.889   5.889
  359   1HB   PHE  43          2HB       PHE  43  14.555   6.449   6.449
  360   2HB   PHE  43          1HB       PHE  43  14.594   7.300   7.300
  361    HD1  PHE  43           HD2      PHE  43  16.341   4.155   4.155
  362    HD2  PHE  43           HD1      PHE  43  12.458   5.973   5.973
  363    HE1  PHE  43           HE2      PHE  43  15.460   2.137   2.137
  364    HE2  PHE  43           HE1      PHE  43  11.588   3.964   3.964
  365    HZ   PHE  43           HZ       PHE  43  13.085   2.042   2.042
  366    H    LEU  44           H        LEU  44  17.155   7.925   7.925
  367    HA   LEU  44           HA       LEU  44  17.128  10.507  10.507
  368   1HB   LEU  44          2HB       LEU  44  17.536   9.516   9.516
  369   2HB   LEU  44          1HB       LEU  44  19.224   9.771   9.771
  370    HG   LEU  44           HG       LEU  44  18.412  12.127  12.127
  371   1HD1  LEU  44          1HD1      LEU  44  16.002  10.967  10.967
  372   2HD1  LEU  44          3HD1      LEU  44  16.453  12.349  12.349
  373   3HD1  LEU  44          2HD1      LEU  44  16.225  12.554  12.554
  374   1HD2  LEU  44          3HD2      LEU  44  19.240  11.044  11.044
  375   2HD2  LEU  44          2HD2      LEU  44  19.675  12.584  12.584
  376   3HD2  LEU  44          1HD2      LEU  44  18.213  12.460  12.460
  377    H    GLU  45           H        GLU  45  19.568   7.988   7.988
  378    HA   GLU  45           HA       GLU  45  21.505   9.525   9.525
  379   1HB   GLU  45          2HB       GLU  45  21.448   7.355   7.355
  380   2HB   GLU  45          1HB       GLU  45  22.264   6.822   6.822
  381   1HG   GLU  45          2HG       GLU  45  22.990   9.530   9.530
  382   2HG   GLU  45          1HG       GLU  45  23.537   8.177   8.177
  383    H    GLU  46           H        GLU  46  19.074   7.044   7.044
  384    HA   GLU  46           HA       GLU  46  18.165   5.899   5.899
  385   1HB   GLU  46          2HB       GLU  46  17.819   7.889   7.889
  386   2HB   GLU  46          1HB       GLU  46  19.514   8.358   8.358
  387   1HG   GLU  46          2HG       GLU  46  20.105   6.910   6.910
  388   2HG   GLU  46          1HG       GLU  46  18.551   6.081   6.081
  389    H    ILE  47           H        ILE  47  21.402   6.887   6.887
  390    HA   ILE  47           HA       ILE  47  22.178   4.762   4.762
  391    HB   ILE  47           HB       ILE  47  23.441   6.852   6.852
  392   1HG1  ILE  47          2HG1      ILE  47  24.412   5.238   5.238
  393   2HG1  ILE  47          1HG1      ILE  47  25.635   5.803   5.803
  394   1HG2  ILE  47          2HG2      ILE  47  24.213   4.805   4.805
  395   2HG2  ILE  47          1HG2      ILE  47  25.009   6.363   6.363
  396   3HG2  ILE  47          3HG2      ILE  47  23.321   6.298   6.298
  397   1HD1  ILE  47          1HD1      ILE  47  24.786   3.681   3.681
  398   2HD1  ILE  47          3HD1      ILE  47  24.354   3.116   3.116
  399   3HD1  ILE  47          2HD1      ILE  47  26.028   3.535   3.535
  400    H    LYS  48           H        LYS  48  22.038   4.772   4.772
  401    HA   LYS  48           HA       LYS  48  23.319   2.471   2.471
  402   1HB   LYS  48          2HB       LYS  48  20.498   3.318   3.318
  403   2HB   LYS  48          1HB       LYS  48  21.588   2.351   2.351
  404   1HG   LYS  48          2HG       LYS  48  22.606   4.992   4.992
  405   2HG   LYS  48          1HG       LYS  48  21.371   5.007   5.007
  406   1HD   LYS  48          2HD       LYS  48  23.076   3.019   3.019
  407   2HD   LYS  48          1HD       LYS  48  24.179   4.201   4.201
  408   1HE   LYS  48          2HE       LYS  48  23.806   5.705   5.705
  409   2HE   LYS  48          1HE       LYS  48  22.056   5.407   5.407
  410   1HZ   LYS  48          2HZ       LYS  48  22.435   3.300   3.300
  411   2HZ   LYS  48          1HZ       LYS  48  24.109   3.581   3.581
  412   3HZ   LYS  48          3HZ       LYS  48  23.071   4.572   4.572
  413    H    GLU  49           H        GLU  49  20.457   2.724   2.724
  414    HA   GLU  49           HA       GLU  49  20.590  -0.159  -0.159
  415   1HB   GLU  49          2HB       GLU  49  18.076  -0.272  -0.272
  416   2HB   GLU  49          1HB       GLU  49  19.177  -0.219  -0.219
  417   1HG   GLU  49          2HG       GLU  49  18.835   2.385   2.385
  418   2HG   GLU  49          1HG       GLU  49  17.374   1.938   1.938
  419    H    GLN  50           H        GLN  50  20.970   0.408   0.408
  420    HA   GLN  50           HA       GLN  50  19.445   2.414   2.414
  421   1HB   GLN  50          2HB       GLN  50  21.472   0.293   0.293
  422   2HB   GLN  50          1HB       GLN  50  20.577   0.950   0.950
  423   1HG   GLN  50          2HG       GLN  50  21.188   3.264   3.264
  424   2HG   GLN  50          1HG       GLN  50  22.281   2.473   2.473
  425   1HE2  GLN  50          2HE2      GLN  50  24.373   1.186   1.186
  426   2HE2  GLN  50          1HE2      GLN  50  23.636   0.602   0.602
  427    H    GLU  51           H        GLU  51  19.330  -1.173  -1.173
  428    HA   GLU  51           HA       GLU  51  17.365  -1.567  -1.567
  429   1HB   GLU  51          2HB       GLU  51  18.697  -3.318  -3.318
  430   2HB   GLU  51          1HB       GLU  51  17.761  -3.048  -3.048
  431   1HG   GLU  51          2HG       GLU  51  15.729  -3.410  -3.410
  432   2HG   GLU  51          1HG       GLU  51  16.959  -4.388  -4.388
  433    H    VAL  52           H        VAL  52  16.873  -1.017  -1.017
  434    HA   VAL  52           HA       VAL  52  13.974  -1.039  -1.039
  435    HB   VAL  52           HB       VAL  52  15.870  -0.004  -0.004
  436   1HG1  VAL  52          1HG1      VAL  52  13.445   0.864   0.864
  437   2HG1  VAL  52          3HG1      VAL  52  12.970  -0.794  -0.794
  438   3HG1  VAL  52          2HG1      VAL  52  13.994   0.098   0.098
  439   1HG2  VAL  52          1HG2      VAL  52  15.159  -2.644  -2.644
  440   2HG2  VAL  52          3HG2      VAL  52  16.202  -2.184  -2.184
  441   3HG2  VAL  52          2HG2      VAL  52  14.468  -2.381  -2.381
  442    H    VAL  53           H        VAL  53  16.508   1.418   1.418
  443    HA   VAL  53           HA       VAL  53  14.793   3.725   3.725
  444    HB   VAL  53           HB       VAL  53  17.559   3.081   3.081
  445   1HG1  VAL  53          2HG1      VAL  53  15.906   5.482   5.482
  446   2HG1  VAL  53          1HG1      VAL  53  17.577   5.773   5.773
  447   3HG1  VAL  53          3HG1      VAL  53  17.224   4.760   4.760
  448   1HG2  VAL  53          3HG2      VAL  53  16.658   3.595   3.595
  449   2HG2  VAL  53          2HG2      VAL  53  18.265   4.082   4.082
  450   3HG2  VAL  53          1HG2      VAL  53  16.945   5.250   5.250
  451    H    ASP  54           H        ASP  54  15.759   1.481   1.481
  452    HA   ASP  54           HA       ASP  54  14.786   2.979   2.979
  453   1HB   ASP  54          2HB       ASP  54  16.357   1.284   1.284
  454   2HB   ASP  54          1HB       ASP  54  15.586   0.151   0.151
  455    H    LYS  55           H        LYS  55  13.506   0.376   0.376
  456    HA   LYS  55           HA       LYS  55  10.897   0.276   0.276
  457   1HB   LYS  55          2HB       LYS  55  12.247  -0.757  -0.757
  458   2HB   LYS  55          1HB       LYS  55  10.494  -0.902  -0.902
  459   1HG   LYS  55          2HG       LYS  55  11.090  -2.866  -2.866
  460   2HG   LYS  55          1HG       LYS  55  11.158  -1.790  -1.790
  461   1HD   LYS  55          2HD       LYS  55  13.573  -1.467  -1.467
  462   2HD   LYS  55          1HD       LYS  55  13.510  -2.549  -2.549
  463   1HE   LYS  55          2HE       LYS  55  13.185  -4.448  -4.448
  464   2HE   LYS  55          1HE       LYS  55  12.477  -3.518  -3.518
  465   1HZ   LYS  55          2HZ       LYS  55  14.868  -2.371  -2.371
  466   2HZ   LYS  55          1HZ       LYS  55  15.273  -3.950  -3.950
  467   3HZ   LYS  55          3HZ       LYS  55  14.551  -3.682  -3.682
  468    H    VAL  56           H        VAL  56  12.400   2.221   2.221
  469    HA   VAL  56           HA       VAL  56   9.994   3.156   3.156
  470    HB   VAL  56           HB       VAL  56  12.875   4.072   4.072
  471   1HG1  VAL  56          3HG1      VAL  56  10.568   5.576   5.576
  472   2HG1  VAL  56          2HG1      VAL  56  11.723   5.299   5.299
  473   3HG1  VAL  56          1HG1      VAL  56  12.243   6.100   6.100
  474   1HG2  VAL  56          2HG2      VAL  56  11.882   1.978   1.978
  475   2HG2  VAL  56          1HG2      VAL  56  13.194   2.960   2.960
  476   3HG2  VAL  56          3HG2      VAL  56  11.539   3.231   3.231
  477    H    MET  57           H        MET  57  12.214   4.710   4.710
  478    HA   MET  57           HA       MET  57  10.647   7.047   7.047
  479   1HB   MET  57          2HB       MET  57  12.428   5.539   5.539
  480   2HB   MET  57          1HB       MET  57  12.061   7.264   7.264
  481   1HG   MET  57          2HG       MET  57  13.101   6.371   6.371
  482   2HG   MET  57          1HG       MET  57  14.239   6.115   6.115
  483   1HE   MET  57          3HE       MET  57  13.371   7.928   7.928
  484   2HE   MET  57          2HE       MET  57  13.792   9.623   9.623
  485   3HE   MET  57          1HE       MET  57  12.170   9.069   9.069
  486    H    GLU  58           H        GLU  58  10.581   3.848   3.848
  487    HA   GLU  58           HA       GLU  58   8.759   4.430   4.430
  488   1HB   GLU  58          2HB       GLU  58   9.756   2.372   2.372
  489   2HB   GLU  58          1HB       GLU  58   9.718   2.077   2.077
  490   1HG   GLU  58          2HG       GLU  58   8.191   0.534   0.534
  491   2HG   GLU  58          1HG       GLU  58   7.262   1.671   1.671
  492    H    THR  59           H        THR  59   7.982   2.835   2.835
  493    HA   THR  59           HA       THR  59   5.182   2.919   2.919
  494    HB   THR  59           HB       THR  59   7.059   3.249   3.249
  495    HG1  THR  59           HG1      THR  59   7.360   1.218   1.218
  496   1HG2  THR  59          2HG2      THR  59   4.599   3.939   3.939
  497   2HG2  THR  59          1HG2      THR  59   4.221   2.231   2.231
  498   3HG2  THR  59          3HG2      THR  59   5.253   2.733   2.733
  499    H    LEU  60           H        LEU  60   7.360   5.380   5.380
  500    HA   LEU  60           HA       LEU  60   5.383   7.257   7.257
  501   1HB   LEU  60          2HB       LEU  60   8.187   6.992   6.992
  502   2HB   LEU  60          1HB       LEU  60   7.808   8.483   8.483
  503    HG   LEU  60           HG       LEU  60   6.834   7.775   7.775
  504   1HD1  LEU  60          2HD1      LEU  60   9.203   9.196   9.196
  505   2HD1  LEU  60          1HD1      LEU  60   8.320  10.060  10.060
  506   3HD1  LEU  60          3HD1      LEU  60   8.947   8.443   8.443
  507   1HD2  LEU  60          1HD2      LEU  60   5.929   9.665   9.665
  508   2HD2  LEU  60          3HD2      LEU  60   5.279   9.361   9.361
  509   3HD2  LEU  60          2HD2      LEU  60   6.578  10.533  10.533
  510    H    ASP  61           H        ASP  61   6.988   6.768   6.768
  511    HA   ASP  61           HA       ASP  61   6.090   9.129   9.129
  512   1HB   ASP  61          2HB       ASP  61   7.785   7.403   7.403
  513   2HB   ASP  61          1HB       ASP  61   6.432   6.347   6.347
  514    H    SER  62           H        SER  62   4.590   5.931   5.931
  515    HA   SER  62           HA       SER  62   2.126   6.847   6.847
  516   1HB   SER  62          2HB       SER  62   1.893   4.264   4.264
  517   2HB   SER  62          1HB       SER  62   2.076   4.650   4.650
  518    HG   SER  62           HG       SER  62   3.846   3.561   3.561
  519    H    ASP  63           H        ASP  63   2.863   5.238   5.238
  520    HA   ASP  63           HA       ASP  63   1.395   5.127   5.127
  521   1HB   ASP  63          2HB       ASP  63   3.381   6.738   6.738
  522   2HB   ASP  63          1HB       ASP  63   2.218   8.035   8.035
  523    H    GLY  64           H        GLY  64   0.447   8.221   8.221
  524   1HA   GLY  64          2HA       GLY  64  -2.314   7.628   7.628
  525   2HA   GLY  64          1HA       GLY  64  -1.818   8.987   8.987
  526    H    ASP  65           H        ASP  65   0.393   8.810   8.810
  527    HA   ASP  65           HA       ASP  65   0.841  10.347  10.347
  528   1HB   ASP  65          2HB       ASP  65  -0.266   8.527   8.527
  529   2HB   ASP  65          1HB       ASP  65  -1.853   9.107   9.107
  530    H    GLY  66           H        GLY  66   0.435  12.130  12.130
  531   1HA   GLY  66          2HA       GLY  66  -0.386  14.479  14.479
  532   2HA   GLY  66          1HA       GLY  66  -1.981  13.729  13.729
  533    H    GLU  67           H        GLU  67  -1.956  12.103  12.103
  534    HA   GLU  67           HA       GLU  67  -1.196  13.809  13.809
  535   1HB   GLU  67          2HB       GLU  67  -3.440  14.518  14.518
  536   2HB   GLU  67          1HB       GLU  67  -4.042  12.910  12.910
  537   1HG   GLU  67          2HG       GLU  67  -4.584  13.910  13.910
  538   2HG   GLU  67          1HG       GLU  67  -2.894  13.576  13.576
  539    H    CYS  68           H        CYS  68  -0.642  12.526  12.526
  540    HA   CYS  68           HA       CYS  68  -1.077   9.592   9.592
  541   1HB   CYS  68          2HB       CYS  68   0.611  11.269  11.269
  542   2HB   CYS  68          1HB       CYS  68   0.692   9.516   9.516
  543    HG   CYS  68           HG       CYS  68   2.382  11.174  11.174
  544    H    ASP  69           H        ASP  69  -3.285   9.476   9.476
  545    HA   ASP  69           HA       ASP  69  -4.109  10.604  10.604
  546   1HB   ASP  69          2HB       ASP  69  -5.381   9.127   9.127
  547   2HB   ASP  69          1HB       ASP  69  -6.251   9.354   9.354
  548    H    PHE  70           H        PHE  70  -5.552   9.105   9.105
  549    HA   PHE  70           HA       PHE  70  -4.525   7.478   7.478
  550   1HB   PHE  70          2HB       PHE  70  -6.942   7.072   7.072
  551   2HB   PHE  70          1HB       PHE  70  -6.625   6.044   6.044
  552    HD1  PHE  70           HD2      PHE  70  -5.876   7.331   7.331
  553    HD2  PHE  70           HD1      PHE  70  -8.130   9.067   9.067
  554    HE1  PHE  70           HE2      PHE  70  -6.684   9.084   9.084
  555    HE2  PHE  70           HE1      PHE  70  -8.915  10.863  10.863
  556    HZ   PHE  70           HZ       PHE  70  -8.168  10.875  10.875
  557    H    GLN  71           H        GLN  71  -5.967   5.462   5.462
  558    HA   GLN  71           HA       GLN  71  -4.256   3.245   3.245
  559   1HB   GLN  71          2HB       GLN  71  -5.258   2.434   2.434
  560   2HB   GLN  71          1HB       GLN  71  -6.468   3.210   3.210
  561   1HG   GLN  71          2HG       GLN  71  -6.855   4.837   4.837
  562   2HG   GLN  71          1HG       GLN  71  -5.131   5.119   5.119
  563   1HE2  GLN  71          2HE2      GLN  71  -5.643   3.780   3.780
  564   2HE2  GLN  71          1HE2      GLN  71  -5.287   5.170   5.170
  565    H    GLU  72           H        GLU  72  -3.589   6.159   6.159
  566    HA   GLU  72           HA       GLU  72  -1.613   5.047   5.047
  567   1HB   GLU  72          2HB       GLU  72  -1.821   7.914   7.914
  568   2HB   GLU  72          1HB       GLU  72  -1.379   7.297   7.297
  569   1HG   GLU  72          2HG       GLU  72  -3.901   6.226   6.226
  570   2HG   GLU  72          1HG       GLU  72  -4.022   7.852   7.852
  571    H    PHE  73           H        PHE  73  -1.396   7.002   7.002
  572    HA   PHE  73           HA       PHE  73   1.439   6.929   6.929
  573   1HB   PHE  73          2HB       PHE  73   0.554   8.370   8.370
  574   2HB   PHE  73          1HB       PHE  73  -0.860   7.364   7.364
  575    HD1  PHE  73           HD1      PHE  73   2.577   5.979   5.979
  576    HD2  PHE  73           HD2      PHE  73  -0.741   7.611   7.611
  577    HE1  PHE  73           HE1      PHE  73   3.513   5.092   5.092
  578    HE2  PHE  73           HE2      PHE  73   0.198   6.732   6.732
  579    HZ   PHE  73           HZ       PHE  73   2.333   5.471   5.471
  580    H    MET  74           H        MET  74  -1.000   4.693   4.693
  581    HA   MET  74           HA       MET  74   0.873   2.774   2.774
  582   1HB   MET  74          2HB       MET  74  -2.023   2.923   2.923
  583   2HB   MET  74          1HB       MET  74  -1.325   1.321   1.321
  584   1HG   MET  74          2HG       MET  74  -1.040   3.604   3.604
  585   2HG   MET  74          1HG       MET  74  -2.267   2.341   2.341
  586   1HE   MET  74          2HE       MET  74  -2.032   0.761   0.761
  587   2HE   MET  74          1HE       MET  74  -1.673  -0.289  -0.289
  588   3HE   MET  74          3HE       MET  74  -0.733  -0.422  -0.422
  589    H    ALA  75           H        ALA  75  -0.420   3.380   3.380
  590    HA   ALA  75           HA       ALA  75   0.133   0.833   0.833
  591   1HB   ALA  75          2HB       ALA  75  -0.458   3.632   3.632
  592   2HB   ALA  75          1HB       ALA  75   0.295   2.622   2.622
  593   3HB   ALA  75          3HB       ALA  75  -1.237   2.135   2.135
  594    H    PHE  76           H        PHE  76   1.925   3.862   3.862
  595    HA   PHE  76           HA       PHE  76   4.227   2.551   2.551
  596   1HB   PHE  76          2HB       PHE  76   3.687   4.816   4.816
  597   2HB   PHE  76          1HB       PHE  76   3.641   5.312   5.312
  598    HD1  PHE  76           HD2      PHE  76   5.859   4.941   4.941
  599    HD2  PHE  76           HD1      PHE  76   5.658   5.142   5.142
  600    HE1  PHE  76           HE2      PHE  76   8.264   5.527   5.527
  601    HE2  PHE  76           HE1      PHE  76   8.064   5.730   5.730
  602    HZ   PHE  76           HZ       PHE  76   9.368   5.921   5.921
  603    H    VAL  77           H        VAL  77   3.630   4.108   4.108
  604    HA   VAL  77           HA       VAL  77   6.124   3.645   3.645
  605    HB   VAL  77           HB       VAL  77   3.914   4.703   4.703
  606   1HG1  VAL  77          3HG1      VAL  77   2.580   2.619   2.619
  607   2HG1  VAL  77          2HG1      VAL  77   3.593   1.858   1.858
  608   3HG1  VAL  77          1HG1      VAL  77   2.576   3.233   3.233
  609   1HG2  VAL  77          2HG2      VAL  77   6.254   3.719   3.719
  610   2HG2  VAL  77          1HG2      VAL  77   5.164   4.954   4.954
  611   3HG2  VAL  77          3HG2      VAL  77   4.923   3.262   3.262
  612    H    ALA  78           H        ALA  78   3.450   1.427   1.427
  613    HA   ALA  78           HA       ALA  78   4.627  -0.874  -0.874
  614   1HB   ALA  78          1HB       ALA  78   2.472  -0.407  -0.407
  615   2HB   ALA  78          3HB       ALA  78   2.883  -2.028  -2.028
  616   3HB   ALA  78          2HB       ALA  78   2.264  -0.832  -0.832
  617    H    MET  79           H        MET  79   4.474   0.279   0.279
  618    HA   MET  79           HA       MET  79   5.819  -1.833  -1.833
  619   1HB   MET  79          2HB       MET  79   5.336   1.058   1.058
  620   2HB   MET  79          1HB       MET  79   6.760   0.452   0.452
  621   1HG   MET  79          2HG       MET  79   4.820   0.238   0.238
  622   2HG   MET  79          1HG       MET  79   5.356  -1.370  -1.370
  623   1HE   MET  79          2HE       MET  79   2.926   1.121   1.121
  624   2HE   MET  79          1HE       MET  79   2.073  -0.302  -0.302
  625   3HE   MET  79          3HE       MET  79   1.432   0.608   0.608
  626    H    ILE  80           H        ILE  80   7.102   0.942   0.942
  627    HA   ILE  80           HA       ILE  80   9.911   0.138   0.138
  628    HB   ILE  80           HB       ILE  80   8.797   1.915   1.915
  629   1HG1  ILE  80          2HG1      ILE  80   7.660   2.674   2.674
  630   2HG1  ILE  80          1HG1      ILE  80   9.029   3.756   3.756
  631   1HG2  ILE  80          3HG2      ILE  80  11.238   1.376   1.376
  632   2HG2  ILE  80          2HG2      ILE  80  11.308   2.072   2.072
  633   3HG2  ILE  80          1HG2      ILE  80  10.918   3.097   3.097
  634   1HD1  ILE  80          3HD1      ILE  80  10.037   1.639   1.639
  635   2HD1  ILE  80          2HD1      ILE  80   8.457   1.999   1.999
  636   3HD1  ILE  80          1HD1      ILE  80   9.673   3.270   3.270
  637    H    THR  81           H        THR  81   7.593   0.162   0.162
  638    HA   THR  81           HA       THR  81   8.926  -0.771  -0.771
  639    HB   THR  81           HB       THR  81   6.311  -1.735  -1.735
  640    HG1  THR  81           HG1      THR  81   5.485  -0.101  -0.101
  641   1HG2  THR  81          3HG2      THR  81   7.771  -2.704  -2.704
  642   2HG2  THR  81          2HG2      THR  81   6.209  -2.024  -2.024
  643   3HG2  THR  81          1HG2      THR  81   6.292  -3.324  -3.324
  644    H    THR  82           H        THR  82   8.251  -2.659  -2.659
  645    HA   THR  82           HA       THR  82   9.071  -5.230  -5.230
  646    HB   THR  82           HB       THR  82   9.450  -5.287  -5.287
  647    HG1  THR  82           HG1      THR  82   7.154  -3.771  -3.771
  648   1HG2  THR  82          3HG2      THR  82   7.868  -6.578  -6.578
  649   2HG2  THR  82          2HG2      THR  82   6.647  -5.530  -5.530
  650   3HG2  THR  82          1HG2      THR  82   7.586  -6.643  -6.643
  651    H    ALA  83           H        ALA  83  10.810  -2.457  -2.457
  652    HA   ALA  83           HA       ALA  83  13.308  -3.820  -3.820
  653   1HB   ALA  83          3HB       ALA  83  12.440  -0.940  -0.940
  654   2HB   ALA  83          2HB       ALA  83  14.054  -1.419  -1.419
  655   3HB   ALA  83          1HB       ALA  83  12.649  -1.832  -1.832
  656    H    CYS  84           H        CYS  84  11.880  -2.243  -2.243
  657    HA   CYS  84           HA       CYS  84  13.740  -1.293  -1.293
  658   1HB   CYS  84          2HB       CYS  84  11.448  -1.818  -1.818
  659   2HB   CYS  84          1HB       CYS  84  11.818  -3.541  -3.541
  660    HG   CYS  84           HG       CYS  84  12.052  -2.100  -2.100
  661    H    HIS  85           H        HIS  85  13.372  -4.503  -4.503
  662    HA   HIS  85           HA       HIS  85  15.899  -5.592  -5.592
  663   1HB   HIS  85          2HB       HIS  85  15.951  -3.565  -3.565
  664   2HB   HIS  85          1HB       HIS  85  16.283  -5.077  -5.077
  665    HD1  HIS  85           HD1      HIS  85  17.756  -6.505  -6.505
  666    HD2  HIS  85           HD2      HIS  85  18.611  -2.670  -2.670
  667    HE1  HIS  85           HE1      HIS  85  20.136  -6.001  -6.001
  668    H    GLU  86           H        GLU  86  16.549  -7.145  -7.145
  669    HA   GLU  86           HA       GLU  86  15.873  -9.261  -9.261
  670   1HB   GLU  86          2HB       GLU  86  13.596  -7.395  -7.395
  671   2HB   GLU  86          1HB       GLU  86  13.938  -8.937  -8.937
  672   1HG   GLU  86          2HG       GLU  86  15.603  -8.043  -8.043
  673   2HG   GLU  86          1HG       GLU  86  16.308  -7.240  -7.240
  674    H    PHE  87           H        PHE  87  12.497  -8.433  -8.433
  675    HA   PHE  87           HA       PHE  87  12.014 -10.693 -10.693
  676   1HB   PHE  87          2HB       PHE  87  10.408  -9.846  -9.846
  677   2HB   PHE  87          1HB       PHE  87  10.242  -8.368  -8.368
  678    HD1  PHE  87           HD1      PHE  87  10.108  -9.381  -9.381
  679    HD2  PHE  87           HD2      PHE  87   8.239 -10.869 -10.869
  680    HE1  PHE  87           HE1      PHE  87   8.502 -10.568 -10.568
  681    HE2  PHE  87           HE2      PHE  87   6.677 -12.160 -12.160
  682    HZ   PHE  87           HZ       PHE  87   6.781 -12.001 -12.001
  683    H    PHE  88           H        PHE  88  10.987  -7.324  -7.324
  684    HA   PHE  88           HA       PHE  88  10.761  -7.390  -7.390
  685   1HB   PHE  88          2HB       PHE  88  11.177  -5.197  -5.197
  686   2HB   PHE  88          1HB       PHE  88  10.809  -4.865  -4.865
  687    HD1  PHE  88           HD1      PHE  88   9.099  -7.668  -7.668
  688    HD2  PHE  88           HD2      PHE  88   9.024  -4.009  -4.009
  689    HE1  PHE  88           HE1      PHE  88   6.704  -8.012  -8.012
  690    HE2  PHE  88           HE2      PHE  88   6.626  -4.359  -4.359
  691    HZ   PHE  88           HZ       PHE  88   5.458  -6.357  -6.357
  692    H    GLU  89           H        GLU  89  12.410  -7.780  -7.780
  693    HA   GLU  89           HA       GLU  89  14.848  -6.106  -6.106
  694   1HB   GLU  89          2HB       GLU  89  14.938  -8.397  -8.397
  695   2HB   GLU  89          1HB       GLU  89  15.162  -9.082  -9.082
  696   1HG   GLU  89          2HG       GLU  89  17.227  -8.110  -8.110
  697   2HG   GLU  89          1HG       GLU  89  16.811  -6.703  -6.703
  698    H    HIS  90           H        HIS  90  13.444  -8.960  -8.960
  699    HA   HIS  90           HA       HIS  90  13.932  -7.578  -7.578
  700   1HB   HIS  90          2HB       HIS  90  15.204  -9.853  -9.853
  701   2HB   HIS  90          1HB       HIS  90  14.046 -10.481 -10.481
  702    HD1  HIS  90           HD1      HIS  90  17.159  -8.429  -8.429
  703    HD2  HIS  90           HD2      HIS  90  14.501  -9.627  -9.627
  704    HE1  HIS  90           HE1      HIS  90  18.270  -7.888  -7.888
  705    H    GLU  91           H        GLU  91  12.786  -9.942  -9.942
  706    HA   GLU  91           HA       GLU  91  10.101 -10.417 -10.417
  707   1HB   GLU  91          2HB       GLU  91  10.187  -7.957  -7.957
  708   2HB   GLU  91          1HB       GLU  91  10.357  -8.547  -8.547
  709   1HG   GLU  91          2HG       GLU  91   8.206  -9.944  -9.944
  710   2HG   GLU  91          1HG       GLU  91   7.957  -8.201  -8.201
  711   1H    MET   0          1H        MET   0   6.631  10.027  10.027
  712   2H    MET   0          3H        MET   0   7.923  10.059  10.059
  713   3H    MET   0          2H        MET   0   7.252  11.514  11.514
  714    HA   MET   0           HA       MET   0   8.089  11.160  11.160
  715   1HB   MET   0          2HB       MET   0   9.599  12.200  12.200
  716   2HB   MET   0          1HB       MET   0   9.983  10.654  10.654
  717   1HG   MET   0          2HG       MET   0  11.136   9.887   9.887
  718   2HG   MET   0          1HG       MET   0  10.580  11.278  11.278
  719   1HE   MET   0          1HE       MET   0  13.024   9.610   9.610
  720   2HE   MET   0          3HE       MET   0  14.286  10.761  10.761
  721   3HE   MET   0          2HE       MET   0  14.002  10.391  10.391
  722    H    SER   1           H        SER   1   9.601   8.600   8.600
  723    HA   SER   1           HA       SER   1   9.875   6.855   6.855
  724   1HB   SER   1          2HB       SER   1  10.604   6.796   6.796
  725   2HB   SER   1          1HB       SER   1  10.769   5.345   5.345
  726    HG   SER   1           HG       SER   1  11.781   7.779   7.779
  727    H    GLU   2           H        GLU   2   7.309   7.573   7.573
  728    HA   GLU   2           HA       GLU   2   6.134   5.274   5.274
  729   1HB   GLU   2          2HB       GLU   2   5.310   7.833   7.833
  730   2HB   GLU   2          1HB       GLU   2   4.101   6.581   6.581
  731   1HG   GLU   2          2HG       GLU   2   3.628   6.329   6.329
  732   2HG   GLU   2          1HG       GLU   2   5.289   6.655   6.655
  733    H    LEU   3           H        LEU   3   6.736   6.065   6.065
  734    HA   LEU   3           HA       LEU   3   4.978   3.980   3.980
  735   1HB   LEU   3          2HB       LEU   3   7.257   5.326   5.326
  736   2HB   LEU   3          1HB       LEU   3   5.707   4.810   4.810
  737    HG   LEU   3           HG       LEU   3   5.087   6.640   6.640
  738   1HD1  LEU   3          3HD1      LEU   3   7.536   7.307   7.307
  739   2HD1  LEU   3          2HD1      LEU   3   7.158   7.823   7.823
  740   3HD1  LEU   3          1HD1      LEU   3   6.374   8.605   8.605
  741   1HD2  LEU   3          3HD2      LEU   3   4.652   6.216   6.216
  742   2HD2  LEU   3          2HD2      LEU   3   3.673   7.148   7.148
  743   3HD2  LEU   3          1HD2      LEU   3   4.997   7.925   7.925
  744    H    GLU   4           H        GLU   4   8.560   4.408   4.408
  745    HA   GLU   4           HA       GLU   4   9.212   1.790   1.790
  746   1HB   GLU   4          2HB       GLU   4  10.847   3.579   3.579
  747   2HB   GLU   4          1HB       GLU   4  10.616   3.733   3.733
  748   1HG   GLU   4          2HG       GLU   4  11.277   1.147   1.147
  749   2HG   GLU   4          1HG       GLU   4  12.091   1.637   1.637
  750    H    LYS   5           H        LYS   5   8.548   3.071   3.071
  751    HA   LYS   5           HA       LYS   5   9.138   0.650   0.650
  752   1HB   LYS   5          2HB       LYS   5   7.203   2.893   2.893
  753   2HB   LYS   5          1HB       LYS   5   8.098   1.878   1.878
  754   1HG   LYS   5          2HG       LYS   5   9.795   3.335   3.335
  755   2HG   LYS   5          1HG       LYS   5   8.923   4.362   4.362
  756   1HD   LYS   5          2HD       LYS   5   9.858   2.244   2.244
  757   2HD   LYS   5          1HD       LYS   5  11.198   2.613   2.613
  758   1HE   LYS   5          2HE       LYS   5  10.870   5.070   5.070
  759   2HE   LYS   5          1HE       LYS   5   9.798   4.498   4.498
  760   1HZ   LYS   5          2HZ       LYS   5  11.825   2.820   2.820
  761   2HZ   LYS   5          1HZ       LYS   5  12.677   4.165   4.165
  762   3HZ   LYS   5          3HZ       LYS   5  11.746   4.307   4.307
  763    H    ALA   6           H        ALA   6   6.156   2.107   2.107
  764    HA   ALA   6           HA       ALA   6   4.404  -0.040  -0.040
  765   1HB   ALA   6          2HB       ALA   6   4.369   2.128   2.128
  766   2HB   ALA   6          1HB       ALA   6   3.024   1.003   1.003
  767   3HB   ALA   6          3HB       ALA   6   3.469   2.086   2.086
  768    H    VAL   7           H        VAL   7   6.554   0.579   0.579
  769    HA   VAL   7           HA       VAL   7   5.690  -1.499  -1.499
  770    HB   VAL   7           HB       VAL   7   7.892   0.426   0.426
  771   1HG1  VAL   7          2HG1      VAL   7   8.411  -2.198  -2.198
  772   2HG1  VAL   7          1HG1      VAL   7   9.357  -0.741  -0.741
  773   3HG1  VAL   7          3HG1      VAL   7   9.341  -1.461  -1.461
  774   1HG2  VAL   7          3HG2      VAL   7   5.980  -0.407  -0.407
  775   2HG2  VAL   7          2HG2      VAL   7   6.683   1.181   1.181
  776   3HG2  VAL   7          1HG2      VAL   7   7.571  -0.006  -0.006
  777    H    VAL   8           H        VAL   8   8.318  -1.334  -1.334
  778    HA   VAL   8           HA       VAL   8   9.360  -3.928  -3.928
  779    HB   VAL   8           HB       VAL   8   8.829  -2.062  -2.062
  780   1HG1  VAL   8          3HG1      VAL   8  10.338  -4.689  -4.689
  781   2HG1  VAL   8          2HG1      VAL   8  10.524  -3.474  -3.474
  782   3HG1  VAL   8          1HG1      VAL   8   8.964  -4.258  -4.258
  783   1HG2  VAL   8          1HG2      VAL   8  10.461  -1.478  -1.478
  784   2HG2  VAL   8          3HG2      VAL   8  11.144  -1.486  -1.486
  785   3HG2  VAL   8          2HG2      VAL   8  11.435  -2.845  -2.845
  786    H    ALA   9           H        ALA   9   6.484  -2.796  -2.796
  787    HA   ALA   9           HA       ALA   9   5.772  -5.272  -5.272
  788   1HB   ALA   9          1HB       ALA   9   4.849  -2.630  -2.630
  789   2HB   ALA   9          3HB       ALA   9   3.520  -3.614  -3.614
  790   3HB   ALA   9          2HB       ALA   9   4.162  -3.909  -3.909
  791    H    LEU  10           H        LEU  10   4.891  -3.904  -3.904
  792    HA   LEU  10           HA       LEU  10   2.996  -5.913  -5.913
  793   1HB   LEU  10          2HB       LEU  10   4.927  -4.358  -4.358
  794   2HB   LEU  10          1HB       LEU  10   3.411  -5.092  -5.092
  795    HG   LEU  10           HG       LEU  10   3.682  -2.874  -2.874
  796   1HD1  LEU  10          2HD1      LEU  10   2.849  -2.936  -2.936
  797   2HD1  LEU  10          1HD1      LEU  10   2.342  -1.640  -1.640
  798   3HD1  LEU  10          3HD1      LEU  10   4.057  -1.905  -1.905
  799   1HD2  LEU  10          2HD2      LEU  10   1.646  -4.786  -4.786
  800   2HD2  LEU  10          1HD2      LEU  10   1.548  -3.287  -3.287
  801   3HD2  LEU  10          3HD2      LEU  10   1.037  -3.319  -3.319
  802    H    ILE  11           H        ILE  11   6.527  -5.848  -5.848
  803    HA   ILE  11           HA       ILE  11   6.834  -8.252  -8.252
  804    HB   ILE  11           HB       ILE  11   9.056  -7.982  -7.982
  805   1HG1  ILE  11          2HG1      ILE  11   9.552  -6.510  -6.510
  806   2HG1  ILE  11          1HG1      ILE  11   8.164  -7.485  -7.485
  807   1HG2  ILE  11          2HG2      ILE  11   7.611  -5.571  -5.571
  808   2HG2  ILE  11          1HG2      ILE  11   8.862  -5.242  -5.242
  809   3HG2  ILE  11          3HG2      ILE  11   9.301  -5.845  -5.845
  810   1HD1  ILE  11          2HD1      ILE  11   9.368  -9.506  -9.506
  811   2HD1  ILE  11          1HD1      ILE  11  10.786  -8.487  -8.487
  812   3HD1  ILE  11          3HD1      ILE  11  10.165  -8.758  -8.758
  813    H    ASP  12           H        ASP  12   6.136  -7.591  -7.591
  814    HA   ASP  12           HA       ASP  12   6.707 -10.279 -10.279
  815   1HB   ASP  12          2HB       ASP  12   6.256  -7.798  -7.798
  816   2HB   ASP  12          1HB       ASP  12   4.674  -8.549  -8.549
  817    H    VAL  13           H        VAL  13   4.110  -8.527  -8.527
  818    HA   VAL  13           HA       VAL  13   1.995 -10.450 -10.450
  819    HB   VAL  13           HB       VAL  13   2.396  -8.211  -8.211
  820   1HG1  VAL  13          1HG1      VAL  13   0.630 -10.130 -10.130
  821   2HG1  VAL  13          3HG1      VAL  13  -0.286  -9.269  -9.269
  822   3HG1  VAL  13          2HG1      VAL  13   0.192  -8.440  -8.440
  823   1HG2  VAL  13          3HG2      VAL  13   1.872  -8.263  -8.263
  824   2HG2  VAL  13          2HG2      VAL  13   1.935  -6.860  -6.860
  825   3HG2  VAL  13          1HG2      VAL  13   0.411  -7.709  -7.709
  826    H    PHE  14           H        PHE  14   3.673  -9.582  -9.582
  827    HA   PHE  14           HA       PHE  14   2.755 -11.742 -11.742
  828   1HB   PHE  14          2HB       PHE  14   5.296 -10.084 -10.084
  829   2HB   PHE  14          1HB       PHE  14   5.278 -11.593 -11.593
  830    HD1  PHE  14           HD2      PHE  14   3.280 -12.184 -12.184
  831    HD2  PHE  14           HD1      PHE  14   4.094  -8.163  -8.163
  832    HE1  PHE  14           HE2      PHE  14   1.795 -11.350 -11.350
  833    HE2  PHE  14           HE1      PHE  14   2.586  -7.316  -7.316
  834    HZ   PHE  14           HZ       PHE  14   1.437  -8.914  -8.914
  835    H    HIS  15           H        HIS  15   5.543 -11.606 -11.606
  836    HA   HIS  15           HA       HIS  15   6.680 -14.124 -14.124
  837   1HB   HIS  15          2HB       HIS  15   7.375 -12.307 -12.307
  838   2HB   HIS  15          1HB       HIS  15   5.956 -12.629 -12.629
  839    HD1  HIS  15           HD1      HIS  15   9.410 -13.396 -13.396
  840    HD2  HIS  15           HD2      HIS  15   5.997 -15.654 -15.654
  841    HE1  HIS  15           HE1      HIS  15  10.185 -15.443 -15.443
  842    H    GLN  16           H        GLN  16   3.908 -13.292 -13.292
  843    HA   GLN  16           HA       GLN  16   3.317 -16.121 -16.121
  844   1HB   GLN  16          2HB       GLN  16   2.931 -14.498 -14.498
  845   2HB   GLN  16          1HB       GLN  16   1.990 -13.468 -13.468
  846   1HG   GLN  16          2HG       GLN  16   0.278 -15.248 -15.248
  847   2HG   GLN  16          1HG       GLN  16   1.210 -16.244 -16.244
  848   1HE2  GLN  16          2HE2      GLN  16  -0.209 -12.751 -12.751
  849   2HE2  GLN  16          1HE2      GLN  16   0.539 -12.707 -12.707
  850    H    TYR  17           H        TYR  17   1.310 -13.486 -13.486
  851    HA   TYR  17           HA       TYR  17  -0.803 -14.826 -14.826
  852   1HB   TYR  17          2HB       TYR  17   0.864 -12.479 -12.479
  853   2HB   TYR  17          1HB       TYR  17  -0.486 -12.987 -12.987
  854    HD1  TYR  17           HD2      TYR  17   0.488 -11.685 -11.685
  855    HD2  TYR  17           HD1      TYR  17  -2.777 -12.879 -12.879
  856    HE1  TYR  17           HE2      TYR  17  -1.113 -10.542 -10.542
  857    HE2  TYR  17           HE1      TYR  17  -4.379 -11.774 -11.774
  858    HH   TYR  17           HH       TYR  17  -4.194 -11.142 -11.142
  859    H    SER  18           H        SER  18   2.081 -14.091 -14.091
  860    HA   SER  18           HA       SER  18   1.267 -16.143 -16.143
  861   1HB   SER  18          2HB       SER  18   2.549 -14.874 -14.874
  862   2HB   SER  18          1HB       SER  18   2.299 -13.670 -13.670
  863    HG   SER  18           HG       SER  18   4.280 -14.479 -14.479
  864    H    GLY  19           H        GLY  19   2.921 -16.487 -16.487
  865   1HA   GLY  19          2HA       GLY  19   4.382 -18.815 -18.815
  866   2HA   GLY  19          1HA       GLY  19   5.395 -17.561 -17.561
  867    H    ARG  20           H        ARG  20   2.296 -17.917 -17.917
  868    HA   ARG  20           HA       ARG  20   3.561 -18.826 -18.826
  869   1HB   ARG  20          2HB       ARG  20   1.280 -18.512 -18.512
  870   2HB   ARG  20          1HB       ARG  20   1.762 -17.117 -17.117
  871   1HG   ARG  20          2HG       ARG  20   0.603 -18.407 -18.407
  872   2HG   ARG  20          1HG       ARG  20  -0.197 -19.298 -19.298
  873   1HD   ARG  20          2HD       ARG  20  -0.251 -16.278 -16.278
  874   2HD   ARG  20          1HD       ARG  20  -1.608 -17.398 -17.398
  875    HE   ARG  20           HE       ARG  20  -0.412 -17.701 -17.701
  876   1HH1  ARG  20          1HH2      ARG  20  -2.431 -15.667 -15.667
  877   2HH1  ARG  20          2HH2      ARG  20  -3.430 -15.182 -15.182
  878   1HH2  ARG  20          2HH1      ARG  20  -1.754 -17.133 -17.133
  879   2HH2  ARG  20          1HH1      ARG  20  -3.047 -16.010 -16.010
  880    H    GLU  21           H        GLU  21   2.602 -20.460 -20.460
  881    HA   GLU  21           HA       GLU  21   2.396 -23.006 -23.006
  882   1HB   GLU  21          2HB       GLU  21   0.105 -21.918 -21.918
  883   2HB   GLU  21          1HB       GLU  21   0.150 -22.069 -22.069
  884   1HG   GLU  21          2HG       GLU  21   0.886 -24.575 -24.575
  885   2HG   GLU  21          1HG       GLU  21  -0.687 -24.028 -24.028
  886    H    GLY  22           H        GLY  22   1.489 -21.762 -21.762
  887   1HA   GLY  22          2HA       GLY  22   3.628 -23.455 -23.455
  888   2HA   GLY  22          1HA       GLY  22   1.975 -23.628 -23.628
  889    H    ASP  23           H        ASP  23   2.272 -22.787 -22.787
  890    HA   ASP  23           HA       ASP  23   2.619 -21.132 -21.132
  891   1HB   ASP  23          2HB       ASP  23   1.118 -20.160 -20.160
  892   2HB   ASP  23          1HB       ASP  23   2.203 -18.856 -18.856
  893    H    LYS  24           H        LYS  24   3.596 -18.466 -18.466
  894    HA   LYS  24           HA       LYS  24   6.267 -18.788 -18.788
  895   1HB   LYS  24          2HB       LYS  24   5.613 -18.405 -18.405
  896   2HB   LYS  24          1HB       LYS  24   7.128 -17.776 -17.776
  897   1HG   LYS  24          2HG       LYS  24   7.985 -19.842 -19.842
  898   2HG   LYS  24          1HG       LYS  24   6.958 -20.359 -20.359
  899   1HD   LYS  24          2HD       LYS  24   5.741 -21.625 -21.625
  900   2HD   LYS  24          1HD       LYS  24   5.348 -20.199 -20.199
  901   1HE   LYS  24          2HE       LYS  24   7.374 -20.467 -20.467
  902   2HE   LYS  24          1HE       LYS  24   7.914 -21.805 -21.805
  903   1HZ   LYS  24          1HZ       LYS  24   5.219 -21.942 -21.942
  904   2HZ   LYS  24          3HZ       LYS  24   6.522 -22.248 -22.248
  905   3HZ   LYS  24          2HZ       LYS  24   6.309 -23.197 -23.197
  906    H    HIS  25           H        HIS  25   5.358 -16.347 -16.347
  907    HA   HIS  25           HA       HIS  25   5.031 -14.368 -14.368
  908   1HB   HIS  25          2HB       HIS  25   6.614 -14.048 -14.048
  909   2HB   HIS  25          1HB       HIS  25   6.462 -12.860 -12.860
  910    HD1  HIS  25           HD1      HIS  25   9.001 -14.828 -14.828
  911    HD2  HIS  25           HD2      HIS  25   7.094 -14.711 -14.711
  912    HE1  HIS  25           HE1      HIS  25  10.618 -15.835 -15.835
  913    H    LYS  26           H        LYS  26   2.804 -15.358 -15.358
  914    HA   LYS  26           HA       LYS  26   1.660 -13.055 -13.055
  915   1HB   LYS  26          2HB       LYS  26   1.587 -15.933 -15.933
  916   2HB   LYS  26          1HB       LYS  26   0.668 -14.603 -14.603
  917   1HG   LYS  26          2HG       LYS  26   2.510 -14.531 -14.531
  918   2HG   LYS  26          1HG       LYS  26   3.097 -13.479 -13.479
  919   1HD   LYS  26          2HD       LYS  26   3.858 -15.828 -15.828
  920   2HD   LYS  26          1HD       LYS  26   3.868 -16.287 -16.287
  921   1HE   LYS  26          2HE       LYS  26   5.180 -13.698 -13.698
  922   2HE   LYS  26          1HE       LYS  26   6.032 -15.210 -15.210
  923   1HZ   LYS  26          3HZ       LYS  26   4.797 -14.630 -14.630
  924   2HZ   LYS  26          2HZ       LYS  26   6.435 -14.345 -14.345
  925   3HZ   LYS  26          1HZ       LYS  26   5.817 -15.926 -15.926
  926    H    LEU  27           H        LEU  27  -0.868 -13.521 -13.521
  927    HA   LEU  27           HA       LEU  27  -1.680 -15.278 -15.278
  928   1HB   LEU  27          2HB       LEU  27  -2.078 -12.322 -12.322
  929   2HB   LEU  27          1HB       LEU  27  -3.219 -13.244 -13.244
  930    HG   LEU  27           HG       LEU  27  -0.511 -13.960 -13.960
  931   1HD1  LEU  27          3HD1      LEU  27  -0.506 -11.398 -11.398
  932   2HD1  LEU  27          2HD1      LEU  27  -1.019 -11.143 -11.143
  933   3HD1  LEU  27          1HD1      LEU  27   0.507 -11.958 -11.958
  934   1HD2  LEU  27          2HD2      LEU  27  -3.042 -13.540 -13.540
  935   2HD2  LEU  27          1HD2      LEU  27  -1.588 -14.180 -14.180
  936   3HD2  LEU  27          3HD2      LEU  27  -1.919 -12.449 -12.449
  937    H    LYS  28           H        LYS  28  -4.207 -15.339 -15.339
  938    HA   LYS  28           HA       LYS  28  -5.284 -15.324 -15.324
  939   1HB   LYS  28          2HB       LYS  28  -5.865 -17.323 -17.323
  940   2HB   LYS  28          1HB       LYS  28  -6.340 -17.447 -17.447
  941   1HG   LYS  28          2HG       LYS  28  -3.873 -17.413 -17.413
  942   2HG   LYS  28          1HG       LYS  28  -3.537 -17.577 -17.577
  943   1HD   LYS  28          2HD       LYS  28  -4.913 -19.653 -19.653
  944   2HD   LYS  28          1HD       LYS  28  -5.144 -19.507 -19.507
  945   1HE   LYS  28          2HE       LYS  28  -2.345 -19.474 -19.474
  946   2HE   LYS  28          1HE       LYS  28  -3.188 -21.023 -21.023
  947   1HZ   LYS  28          2HZ       LYS  28  -3.817 -20.150 -20.150
  948   2HZ   LYS  28          1HZ       LYS  28  -2.619 -18.967 -18.967
  949   3HZ   LYS  28          3HZ       LYS  28  -2.194 -20.610 -20.610
  950    H    LYS  29           H        LYS  29  -7.698 -15.160 -15.160
  951    HA   LYS  29           HA       LYS  29  -8.786 -13.005 -13.005
  952   1HB   LYS  29          2HB       LYS  29 -10.123 -15.570 -15.570
  953   2HB   LYS  29          1HB       LYS  29 -10.976 -14.065 -14.065
  954   1HG   LYS  29          2HG       LYS  29  -8.932 -14.578 -14.578
  955   2HG   LYS  29          1HG       LYS  29 -10.614 -14.084 -14.084
  956   1HD   LYS  29          2HD       LYS  29 -10.021 -11.969 -11.969
  957   2HD   LYS  29          1HD       LYS  29  -8.330 -12.446 -12.446
  958   1HE   LYS  29          2HE       LYS  29  -8.591 -11.107 -11.107
  959   2HE   LYS  29          1HE       LYS  29  -9.001 -12.701 -12.701
  960   1HZ   LYS  29          3HZ       LYS  29 -11.142 -11.273 -11.273
  961   2HZ   LYS  29          2HZ       LYS  29 -10.651 -10.625 -10.625
  962   3HZ   LYS  29          1HZ       LYS  29 -11.197 -12.232 -12.232
  963    H    SER  30           H        SER  30  -8.562 -16.365 -16.365
  964    HA   SER  30           HA       SER  30 -10.250 -16.025 -16.025
  965   1HB   SER  30          2HB       SER  30  -8.145 -18.005 -18.005
  966   2HB   SER  30          1HB       SER  30  -9.010 -18.187 -18.187
  967    HG   SER  30           HG       SER  30  -9.870 -18.517 -18.517
  968    H    GLU  31           H        GLU  31  -6.685 -16.128 -16.128
  969    HA   GLU  31           HA       GLU  31  -6.074 -15.566 -15.566
  970   1HB   GLU  31          2HB       GLU  31  -4.476 -14.982 -14.982
  971   2HB   GLU  31          1HB       GLU  31  -3.827 -15.198 -15.198
  972   1HG   GLU  31          2HG       GLU  31  -4.879 -17.521 -17.521
  973   2HG   GLU  31          1HG       GLU  31  -5.151 -17.277 -17.277
  974    H    LEU  32           H        LEU  32  -6.174 -13.488 -13.488
  975    HA   LEU  32           HA       LEU  32  -5.509 -11.013 -11.013
  976   1HB   LEU  32          2HB       LEU  32  -5.955 -11.360 -11.360
  977   2HB   LEU  32          1HB       LEU  32  -7.630 -11.799 -11.799
  978    HG   LEU  32           HG       LEU  32  -8.204  -9.581  -9.581
  979   1HD1  LEU  32          1HD1      LEU  32  -5.242  -9.279  -9.279
  980   2HD1  LEU  32          3HD1      LEU  32  -6.200  -7.844  -7.844
  981   3HD1  LEU  32          2HD1      LEU  32  -6.553  -8.792  -8.792
  982   1HD2  LEU  32          3HD2      LEU  32  -7.496 -10.082 -10.082
  983   2HD2  LEU  32          2HD2      LEU  32  -7.863  -8.430  -8.430
  984   3HD2  LEU  32          1HD2      LEU  32  -6.186  -8.956  -8.956
  985    H    LYS  33           H        LYS  33  -8.832 -12.371 -12.371
  986    HA   LYS  33           HA       LYS  33 -10.288 -10.481 -10.481
  987   1HB   LYS  33          2HB       LYS  33 -10.420 -13.310 -13.310
  988   2HB   LYS  33          1HB       LYS  33 -11.108 -13.011 -13.011
  989   1HG   LYS  33          2HG       LYS  33 -11.853 -11.461 -11.461
  990   2HG   LYS  33          1HG       LYS  33 -12.791 -12.802 -12.802
  991   1HD   LYS  33          2HD       LYS  33 -13.812 -11.384 -11.384
  992   2HD   LYS  33          1HD       LYS  33 -12.252 -11.011 -11.011
  993   1HE   LYS  33          2HE       LYS  33 -12.130  -8.994  -8.994
  994   2HE   LYS  33          1HE       LYS  33 -12.669  -9.680  -9.680
  995   1HZ   LYS  33          3HZ       LYS  33 -14.896  -9.957  -9.957
  996   2HZ   LYS  33          2HZ       LYS  33 -14.275  -8.693  -8.693
  997   3HZ   LYS  33          1HZ       LYS  33 -14.508  -8.468  -8.468
  998    H    GLU  34           H        GLU  34  -8.691 -13.326 -13.326
  999    HA   GLU  34           HA       GLU  34  -8.995 -12.665 -12.665
 1000   1HB   GLU  34          2HB       GLU  34  -7.407 -14.363 -14.363
 1001   2HB   GLU  34          1HB       GLU  34  -6.319 -13.595 -13.595
 1002   1HG   GLU  34          2HG       GLU  34  -7.140 -14.831 -14.831
 1003   2HG   GLU  34          1HG       GLU  34  -8.807 -14.466 -14.466
 1004    H    LEU  35           H        LEU  35  -6.556 -11.606 -11.606
 1005    HA   LEU  35           HA       LEU  35  -4.903 -10.043 -10.043
 1006   1HB   LEU  35          2HB       LEU  35  -4.937 -10.798 -10.798
 1007   2HB   LEU  35          1HB       LEU  35  -5.593  -9.174  -9.174
 1008    HG   LEU  35           HG       LEU  35  -3.298  -9.250  -9.250
 1009   1HD1  LEU  35          1HD1      LEU  35  -2.995 -11.023 -11.023
 1010   2HD1  LEU  35          3HD1      LEU  35  -2.473  -9.541  -9.541
 1011   3HD1  LEU  35          2HD1      LEU  35  -1.661 -10.084 -10.084
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.615  -7.357  -7.357
 1013   2HD2  LEU  35          3HD2      LEU  35  -2.904  -7.205  -7.205
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.398  -7.737  -7.737
 1015    H    ILE  36           H        ILE  36  -8.063  -9.312  -9.312
 1016    HA   ILE  36           HA       ILE  36  -7.898  -6.489  -6.489
 1017    HB   ILE  36           HB       ILE  36 -10.347  -7.935  -7.935
 1018   1HG1  ILE  36          2HG1      ILE  36  -8.684  -8.760  -8.760
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.450  -7.402  -7.402
 1020   1HG2  ILE  36          3HG2      ILE  36 -10.391  -5.522  -5.522
 1021   2HG2  ILE  36          2HG2      ILE  36  -9.187  -5.212  -5.212
 1022   3HG2  ILE  36          1HG2      ILE  36 -10.789  -5.804  -5.804
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.474  -6.119  -6.119
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.697  -7.667  -7.667
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.310  -6.682  -6.682
 1026    H    ASN  37           H        ASN  37  -9.548  -9.498  -9.498
 1027    HA   ASN  37           HA       ASN  37 -11.156  -8.248  -8.248
 1028   1HB   ASN  37          2HB       ASN  37 -10.482 -11.158 -11.158
 1029   2HB   ASN  37          1HB       ASN  37 -11.970 -10.426 -10.426
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.688  -9.320  -9.320
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.319  -8.477  -8.477
 1032    H    ASN  38           H        ASN  38  -7.990  -9.755  -9.755
 1033    HA   ASN  38           HA       ASN  38  -7.684 -10.178 -10.178
 1034   1HB   ASN  38          2HB       ASN  38  -5.924 -10.149 -10.149
 1035   2HB   ASN  38          1HB       ASN  38  -5.216 -10.314 -10.314
 1036   1HD2  ASN  38          2HD2      ASN  38  -7.704 -13.330 -13.330
 1037   2HD2  ASN  38          1HD2      ASN  38  -7.990 -11.742 -11.742
 1038    H    GLU  39           H        GLU  39  -7.720  -7.465  -7.465
 1039    HA   GLU  39           HA       GLU  39  -6.110  -5.860  -5.860
 1040   1HB   GLU  39          2HB       GLU  39  -5.598  -4.465  -4.465
 1041   2HB   GLU  39          1HB       GLU  39  -5.074  -6.134  -6.134
 1042   1HG   GLU  39          2HG       GLU  39  -7.097  -6.647  -6.647
 1043   2HG   GLU  39          1HG       GLU  39  -7.662  -4.993  -4.993
 1044    H    LEU  40           H        LEU  40  -8.926  -5.822  -5.822
 1045    HA   LEU  40           HA       LEU  40  -9.977  -3.453  -3.453
 1046   1HB   LEU  40          2HB       LEU  40 -10.730  -4.707  -4.707
 1047   2HB   LEU  40          1HB       LEU  40 -11.434  -3.227  -3.227
 1048    HG   LEU  40           HG       LEU  40  -8.456  -3.410  -3.410
 1049   1HD1  LEU  40          1HD1      LEU  40 -10.160  -3.843  -3.843
 1050   2HD1  LEU  40          3HD1      LEU  40  -9.510  -2.209  -2.209
 1051   3HD1  LEU  40          2HD1      LEU  40  -8.414  -3.582  -3.582
 1052   1HD2  LEU  40          3HD2      LEU  40 -10.037  -1.486  -1.486
 1053   2HD2  LEU  40          2HD2      LEU  40  -8.570  -1.097  -1.097
 1054   3HD2  LEU  40          1HD2      LEU  40 -10.138  -1.061  -1.061
 1055    H    SER  41           H        SER  41 -10.385  -5.288  -5.288
 1056    HA   SER  41           HA       SER  41 -12.176  -7.366  -7.366
 1057   1HB   SER  41          2HB       SER  41 -11.016  -6.398  -6.398
 1058   2HB   SER  41          1HB       SER  41 -12.221  -5.113  -5.113
 1059    HG   SER  41           HG       SER  41 -13.051  -7.792  -7.792
 1060    H    HIS  42           H        HIS  42 -13.002  -3.904  -3.904
 1061    HA   HIS  42           HA       HIS  42 -15.793  -3.995  -3.995
 1062   1HB   HIS  42          2HB       HIS  42 -13.751  -2.326  -2.326
 1063   2HB   HIS  42          1HB       HIS  42 -15.406  -2.126  -2.126
 1064    HD1  HIS  42           HD1      HIS  42 -15.914   0.115   0.115
 1065    HD2  HIS  42           HD2      HIS  42 -14.535  -2.728  -2.728
 1066    HE1  HIS  42           HE1      HIS  42 -16.243   1.109   1.109
 1067    H    PHE  43           H        PHE  43 -13.733  -5.042  -5.042
 1068    HA   PHE  43           HA       PHE  43 -15.892  -5.342  -5.342
 1069   1HB   PHE  43          2HB       PHE  43 -12.977  -5.948  -5.948
 1070   2HB   PHE  43          1HB       PHE  43 -13.888  -6.856  -6.856
 1071    HD1  PHE  43           HD2      PHE  43 -15.330  -3.631  -3.631
 1072    HD2  PHE  43           HD1      PHE  43 -12.296  -5.652  -5.652
 1073    HE1  PHE  43           HE2      PHE  43 -15.201  -1.707  -1.707
 1074    HE2  PHE  43           HE1      PHE  43 -12.175  -3.734  -3.734
 1075    HZ   PHE  43           HZ       PHE  43 -13.628  -1.758  -1.758
 1076    H    LEU  44           H        LEU  44 -14.583  -7.261  -7.261
 1077    HA   LEU  44           HA       LEU  44 -15.277  -9.880  -9.880
 1078   1HB   LEU  44          2HB       LEU  44 -14.228  -8.774  -8.774
 1079   2HB   LEU  44          1HB       LEU  44 -15.881  -8.966  -8.966
 1080    HG   LEU  44           HG       LEU  44 -15.674 -11.386 -11.386
 1081   1HD1  LEU  44          1HD1      LEU  44 -13.072 -10.297 -10.297
 1082   2HD1  LEU  44          3HD1      LEU  44 -12.908 -11.617 -11.617
 1083   3HD1  LEU  44          2HD1      LEU  44 -13.695 -11.900 -11.900
 1084   1HD2  LEU  44          3HD2      LEU  44 -14.908 -10.163 -10.163
 1085   2HD2  LEU  44          2HD2      LEU  44 -15.721 -11.703 -11.703
 1086   3HD2  LEU  44          1HD2      LEU  44 -13.959 -11.621 -11.621
 1087    H    GLU  45           H        GLU  45 -17.156  -7.237  -7.237
 1088    HA   GLU  45           HA       GLU  45 -19.703  -8.735  -8.735
 1089   1HB   GLU  45          2HB       GLU  45 -18.540  -6.501  -6.501
 1090   2HB   GLU  45          1HB       GLU  45 -20.030  -5.982  -5.982
 1091   1HG   GLU  45          2HG       GLU  45 -20.136  -8.609  -8.609
 1092   2HG   GLU  45          1HG       GLU  45 -20.008  -7.191  -7.191
 1093    H    GLU  46           H        GLU  46 -17.783  -6.389  -6.389
 1094    HA   GLU  46           HA       GLU  46 -18.042  -5.365  -5.365
 1095   1HB   GLU  46          2HB       GLU  46 -18.425  -7.413  -7.413
 1096   2HB   GLU  46          1HB       GLU  46 -19.792  -7.790  -7.790
 1097   1HG   GLU  46          2HG       GLU  46 -21.261  -6.388  -6.388
 1098   2HG   GLU  46          1HG       GLU  46 -19.919  -5.633  -5.633
 1099    H    ILE  47           H        ILE  47 -21.415  -6.237  -6.237
 1100    HA   ILE  47           HA       ILE  47 -22.870  -4.138  -4.138
 1101    HB   ILE  47           HB       ILE  47 -23.474  -6.128  -6.128
 1102   1HG1  ILE  47          2HG1      ILE  47 -25.145  -4.534  -4.534
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.528  -4.990  -4.990
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.892  -3.968  -3.968
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.713  -5.492  -5.492
 1106   3HG2  ILE  47          3HG2      ILE  47 -22.029  -5.494  -5.494
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.009  -2.859  -2.859
 1108   2HD1  ILE  47          3HD1      ILE  47 -24.542  -2.382  -2.382
 1109   3HD1  ILE  47          2HD1      ILE  47 -25.731  -2.698  -2.698
 1110    H    LYS  48           H        LYS  48 -20.776  -4.018  -4.018
 1111    HA   LYS  48           HA       LYS  48 -21.345  -1.628  -1.628
 1112   1HB   LYS  48          2HB       LYS  48 -18.603  -2.578  -2.578
 1113   2HB   LYS  48          1HB       LYS  48 -18.932  -1.522  -1.522
 1114   1HG   LYS  48          2HG       LYS  48 -20.351  -4.146  -4.146
 1115   2HG   LYS  48          1HG       LYS  48 -18.624  -4.170  -4.170
 1116   1HD   LYS  48          2HD       LYS  48 -19.512  -2.069  -2.069
 1117   2HD   LYS  48          1HD       LYS  48 -20.850  -3.213  -3.213
 1118   1HE   LYS  48          2HE       LYS  48 -19.637  -4.677  -4.677
 1119   2HE   LYS  48          1HE       LYS  48 -18.188  -4.469  -4.469
 1120   1HZ   LYS  48          2HZ       LYS  48 -17.843  -2.297  -2.297
 1121   2HZ   LYS  48          1HZ       LYS  48 -19.218  -2.506  -2.506
 1122   3HZ   LYS  48          3HZ       LYS  48 -17.865  -3.504  -3.504
 1123    H    GLU  49           H        GLU  49 -20.085  -2.093  -2.093
 1124    HA   GLU  49           HA       GLU  49 -20.491   0.769   0.769
 1125   1HB   GLU  49          2HB       GLU  49 -18.105   0.773   0.773
 1126   2HB   GLU  49          1HB       GLU  49 -18.247   0.825   0.825
 1127   1HG   GLU  49          2HG       GLU  49 -18.122  -1.798  -1.798
 1128   2HG   GLU  49          1HG       GLU  49 -17.401  -1.461  -1.461
 1129    H    GLN  50           H        GLN  50 -22.038   0.142   0.142
 1130    HA   GLN  50           HA       GLN  50 -21.612  -1.993  -1.993
 1131   1HB   GLN  50          2HB       GLN  50 -23.570   0.195   0.195
 1132   2HB   GLN  50          1HB       GLN  50 -23.606  -0.552  -0.552
 1133   1HG   GLN  50          2HG       GLN  50 -23.677  -2.802  -2.802
 1134   2HG   GLN  50          1HG       GLN  50 -23.925  -1.926  -1.926
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.170  -0.636  -0.636
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.755  -0.034  -0.034
 1137    H    GLU  51           H        GLU  51 -21.422   1.584   1.584
 1138    HA   GLU  51           HA       GLU  51 -20.903   1.799   1.799
 1139   1HB   GLU  51          2HB       GLU  51 -21.323   3.662   3.662
 1140   2HB   GLU  51          1HB       GLU  51 -19.729   3.401   3.401
 1141   1HG   GLU  51          2HG       GLU  51 -19.006   3.590   3.590
 1142   2HG   GLU  51          1HG       GLU  51 -20.455   4.596   4.596
 1143    H    VAL  52           H        VAL  52 -18.538   1.360   1.360
 1144    HA   VAL  52           HA       VAL  52 -16.268   1.222   1.222
 1145    HB   VAL  52           HB       VAL  52 -16.658   0.370   0.370
 1146   1HG1  VAL  52          1HG1      VAL  52 -14.687  -0.626  -0.626
 1147   2HG1  VAL  52          3HG1      VAL  52 -14.056   1.017   1.017
 1148   3HG1  VAL  52          2HG1      VAL  52 -14.283   0.239   0.239
 1149   1HG2  VAL  52          1HG2      VAL  52 -16.499   2.934   2.934
 1150   2HG2  VAL  52          3HG2      VAL  52 -16.625   2.583   2.583
 1151   3HG2  VAL  52          2HG2      VAL  52 -15.039   2.697   2.697
 1152    H    VAL  53           H        VAL  53 -18.438  -1.110  -1.110
 1153    HA   VAL  53           HA       VAL  53 -16.981  -3.493  -3.493
 1154    HB   VAL  53           HB       VAL  53 -19.832  -2.749  -2.749
 1155   1HG1  VAL  53          2HG1      VAL  53 -18.855  -5.251  -5.251
 1156   2HG1  VAL  53          1HG1      VAL  53 -19.969  -5.442  -5.442
 1157   3HG1  VAL  53          3HG1      VAL  53 -20.452  -4.505  -4.505
 1158   1HG2  VAL  53          3HG2      VAL  53 -17.698  -3.207  -3.207
 1159   2HG2  VAL  53          2HG2      VAL  53 -19.338  -3.636  -3.636
 1160   3HG2  VAL  53          1HG2      VAL  53 -18.267  -4.866  -4.866
 1161    H    ASP  54           H        ASP  54 -19.114  -1.295  -1.295
 1162    HA   ASP  54           HA       ASP  54 -19.622  -2.932  -2.932
 1163   1HB   ASP  54          2HB       ASP  54 -21.141  -1.180  -1.180
 1164   2HB   ASP  54          1HB       ASP  54 -19.859  -0.045  -0.045
 1165    H    LYS  55           H        LYS  55 -17.354  -0.311  -0.311
 1166    HA   LYS  55           HA       LYS  55 -15.908  -0.390  -0.390
 1167   1HB   LYS  55          2HB       LYS  55 -15.618   0.807   0.807
 1168   2HB   LYS  55          1HB       LYS  55 -14.242   0.857   0.857
 1169   1HG   LYS  55          2HG       LYS  55 -15.279   2.802   2.802
 1170   2HG   LYS  55          1HG       LYS  55 -16.144   1.673   1.673
 1171   1HD   LYS  55          2HD       LYS  55 -17.941   1.494   1.494
 1172   2HD   LYS  55          1HD       LYS  55 -17.083   2.625   2.625
 1173   1HE   LYS  55          2HE       LYS  55 -17.519   4.451   4.451
 1174   2HE   LYS  55          1HE       LYS  55 -17.701   3.432   3.432
 1175   1HZ   LYS  55          2HZ       LYS  55 -19.594   2.416   2.416
 1176   2HZ   LYS  55          1HZ       LYS  55 -19.629   4.031   4.031
 1177   3HZ   LYS  55          3HZ       LYS  55 -19.887   3.671   3.671
 1178    H    VAL  56           H        VAL  56 -15.816  -2.166  -2.166
 1179    HA   VAL  56           HA       VAL  56 -13.098  -3.165  -3.165
 1180    HB   VAL  56           HB       VAL  56 -15.626  -3.939  -3.939
 1181   1HG1  VAL  56          3HG1      VAL  56 -13.215  -5.512  -5.512
 1182   2HG1  VAL  56          2HG1      VAL  56 -13.439  -5.130  -5.130
 1183   3HG1  VAL  56          1HG1      VAL  56 -14.711  -5.963  -5.963
 1184   1HG2  VAL  56          2HG2      VAL  56 -14.013  -1.844  -1.844
 1185   2HG2  VAL  56          1HG2      VAL  56 -14.752  -2.730  -2.730
 1186   3HG2  VAL  56          3HG2      VAL  56 -13.082  -3.060  -3.060
 1187    H    MET  57           H        MET  57 -16.288  -4.696  -4.696
 1188    HA   MET  57           HA       MET  57 -15.288  -7.126  -7.126
 1189   1HB   MET  57          2HB       MET  57 -17.817  -5.602  -5.602
 1190   2HB   MET  57          1HB       MET  57 -17.567  -7.344  -7.344
 1191   1HG   MET  57          2HG       MET  57 -16.970  -6.299  -6.299
 1192   2HG   MET  57          1HG       MET  57 -18.647  -6.042  -6.042
 1193   1HE   MET  57          3HE       MET  57 -16.486  -7.787  -7.787
 1194   2HE   MET  57          2HE       MET  57 -16.993  -9.467  -9.467
 1195   3HE   MET  57          1HE       MET  57 -15.869  -9.011  -9.011
 1196    H    GLU  58           H        GLU  58 -16.054  -3.999  -3.999
 1197    HA   GLU  58           HA       GLU  58 -15.734  -4.739  -4.739
 1198   1HB   GLU  58          2HB       GLU  58 -16.624  -2.640  -2.640
 1199   2HB   GLU  58          1HB       GLU  58 -15.601  -2.288  -2.288
 1200   1HG   GLU  58          2HG       GLU  58 -14.949  -0.869  -0.869
 1201   2HG   GLU  58          1HG       GLU  58 -13.656  -2.015  -2.015
 1202    H    THR  59           H        THR  59 -13.310  -3.091  -3.091
 1203    HA   THR  59           HA       THR  59 -11.094  -3.309  -3.309
 1204    HB   THR  59           HB       THR  59 -11.321  -3.442  -3.442
 1205    HG1  THR  59           HG1      THR  59 -11.708  -1.411  -1.411
 1206   1HG2  THR  59          2HG2      THR  59  -9.110  -4.242  -4.242
 1207   2HG2  THR  59          1HG2      THR  59  -8.896  -2.566  -2.566
 1208   3HG2  THR  59          3HG2      THR  59  -9.008  -2.965  -2.965
 1209    H    LEU  60           H        LEU  60 -12.145  -5.601  -5.601
 1210    HA   LEU  60           HA       LEU  60 -10.101  -7.540  -7.540
 1211   1HB   LEU  60          2HB       LEU  60 -12.492  -7.147  -7.147
 1212   2HB   LEU  60          1HB       LEU  60 -12.689  -8.687  -8.687
 1213    HG   LEU  60           HG       LEU  60 -10.311  -7.917  -7.917
 1214   1HD1  LEU  60          2HD1      LEU  60 -12.885  -9.261  -9.261
 1215   2HD1  LEU  60          1HD1      LEU  60 -11.463 -10.113 -10.113
 1216   3HD1  LEU  60          3HD1      LEU  60 -11.778  -8.454  -8.454
 1217   1HD2  LEU  60          1HD2      LEU  60 -10.703  -9.923  -9.923
 1218   2HD2  LEU  60          3HD2      LEU  60  -9.262  -9.596  -9.596
 1219   3HD2  LEU  60          2HD2      LEU  60 -10.490 -10.708 -10.708
 1220    H    ASP  61           H        ASP  61 -13.178  -7.094  -7.094
 1221    HA   ASP  61           HA       ASP  61 -13.220  -9.543  -9.543
 1222   1HB   ASP  61          2HB       ASP  61 -15.014  -7.762  -7.762
 1223   2HB   ASP  61          1HB       ASP  61 -14.099  -6.794  -6.794
 1224    H    SER  62           H        SER  62 -11.714  -6.406  -6.406
 1225    HA   SER  62           HA       SER  62 -10.457  -7.500  -7.500
 1226   1HB   SER  62          2HB       SER  62  -9.534  -4.891  -4.891
 1227   2HB   SER  62          1HB       SER  62 -10.651  -5.329  -5.329
 1228    HG   SER  62           HG       SER  62 -11.144  -4.091  -4.091
 1229    H    ASP  63           H        ASP  63  -9.288  -5.739  -5.739
 1230    HA   ASP  63           HA       ASP  63  -6.996  -5.629  -5.629
 1231   1HB   ASP  63          2HB       ASP  63  -8.617  -7.135  -7.135
 1232   2HB   ASP  63          1HB       ASP  63  -7.838  -8.497  -8.497
 1233    H    GLY  64           H        GLY  64  -6.034  -8.740  -8.740
 1234   1HA   GLY  64          2HA       GLY  64  -4.229  -8.325  -8.325
 1235   2HA   GLY  64          1HA       GLY  64  -4.095  -9.615  -9.615
 1236    H    ASP  65           H        ASP  65  -7.288  -9.419  -9.419
 1237    HA   ASP  65           HA       ASP  65  -8.658 -11.004 -11.004
 1238   1HB   ASP  65          2HB       ASP  65  -8.342  -9.289  -9.289
 1239   2HB   ASP  65          1HB       ASP  65  -6.755  -9.927  -9.927
 1240    H    GLY  66           H        GLY  66  -7.375 -12.733 -12.733
 1241   1HA   GLY  66          2HA       GLY  66  -7.110 -15.145 -15.145
 1242   2HA   GLY  66          1HA       GLY  66  -5.817 -14.481 -14.481
 1243    H    GLU  67           H        GLU  67  -4.538 -12.775 -12.775
 1244    HA   GLU  67           HA       GLU  67  -3.912 -14.348 -14.348
 1245   1HB   GLU  67          2HB       GLU  67  -2.582 -15.203 -15.203
 1246   2HB   GLU  67          1HB       GLU  67  -1.829 -13.611 -13.611
 1247   1HG   GLU  67          2HG       GLU  67  -0.289 -14.559 -14.559
 1248   2HG   GLU  67          1HG       GLU  67  -1.473 -14.127 -14.127
 1249    H    CYS  68           H        CYS  68  -3.349 -12.972 -12.972
 1250    HA   CYS  68           HA       CYS  68  -3.080 -10.076 -10.076
 1251   1HB   CYS  68          2HB       CYS  68  -3.460 -11.578 -11.578
 1252   2HB   CYS  68          1HB       CYS  68  -3.585  -9.832  -9.832
 1253    HG   CYS  68           HG       CYS  68  -5.907 -11.474 -11.474
 1254    H    ASP  69           H        ASP  69  -0.866 -10.024 -10.024
 1255    HA   ASP  69           HA       ASP  69   1.244 -11.088 -11.088
 1256   1HB   ASP  69          2HB       ASP  69   1.073  -9.750  -9.750
 1257   2HB   ASP  69          1HB       ASP  69   2.630  -9.999  -9.999
 1258    H    PHE  70           H        PHE  70   3.202  -9.584  -9.584
 1259    HA   PHE  70           HA       PHE  70   3.311  -7.838  -7.838
 1260   1HB   PHE  70          2HB       PHE  70   4.439  -7.589  -7.589
 1261   2HB   PHE  70          1HB       PHE  70   4.960  -6.530  -6.530
 1262    HD1  PHE  70           HD2      PHE  70   5.337  -7.809  -7.809
 1263    HD2  PHE  70           HD1      PHE  70   5.643  -9.585  -9.585
 1264    HE1  PHE  70           HE2      PHE  70   6.688  -9.637  -9.637
 1265    HE2  PHE  70           HE1      PHE  70   7.009 -11.429 -11.429
 1266    HZ   PHE  70           HZ       PHE  70   7.521 -11.450 -11.450
 1267    H    GLN  71           H        GLN  71   3.277  -5.975  -5.975
 1268    HA   GLN  71           HA       GLN  71   2.074  -3.683  -3.683
 1269   1HB   GLN  71          2HB       GLN  71   1.740  -3.032  -3.032
 1270   2HB   GLN  71          1HB       GLN  71   3.298  -3.831  -3.831
 1271   1HG   GLN  71          2HG       GLN  71   2.718  -5.545  -5.545
 1272   2HG   GLN  71          1HG       GLN  71   1.151  -5.731  -5.731
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.207  -4.571  -4.571
 1274   2HE2  GLN  71          1HE2      GLN  71  -0.020  -5.902  -5.902
 1275    H    GLU  72           H        GLU  72   0.536  -6.652  -6.652
 1276    HA   GLU  72           HA       GLU  72  -2.117  -5.527  -5.527
 1277   1HB   GLU  72          2HB       GLU  72  -1.480  -8.362  -8.362
 1278   2HB   GLU  72          1HB       GLU  72  -2.732  -7.785  -7.785
 1279   1HG   GLU  72          2HG       GLU  72  -0.394  -6.819  -6.819
 1280   2HG   GLU  72          1HG       GLU  72   0.068  -8.415  -8.415
 1281    H    PHE  73           H        PHE  73  -0.626  -7.369  -7.369
 1282    HA   PHE  73           HA       PHE  73  -2.904  -7.140  -7.140
 1283   1HB   PHE  73          2HB       PHE  73  -1.324  -8.564  -8.564
 1284   2HB   PHE  73          1HB       PHE  73   0.022  -7.625  -7.625
 1285    HD1  PHE  73           HD1      PHE  73  -2.652  -6.057  -6.057
 1286    HD2  PHE  73           HD2      PHE  73   1.282  -7.763  -7.763
 1287    HE1  PHE  73           HE1      PHE  73  -2.225  -5.018  -5.018
 1288    HE2  PHE  73           HE2      PHE  73   1.703  -6.734  -6.734
 1289    HZ   PHE  73           HZ       PHE  73  -0.055  -5.360  -5.360
 1290    H    MET  74           H        MET  74  -0.072  -4.976  -4.976
 1291    HA   MET  74           HA       MET  74  -1.021  -2.926  -2.926
 1292   1HB   MET  74          2HB       MET  74   0.989  -3.250  -3.250
 1293   2HB   MET  74          1HB       MET  74   0.583  -1.604  -1.604
 1294   1HG   MET  74          2HG       MET  74   1.403  -3.790  -3.790
 1295   2HG   MET  74          1HG       MET  74   2.510  -2.579  -2.579
 1296   1HE   MET  74          2HE       MET  74   3.229  -0.918  -0.918
 1297   2HE   MET  74          1HE       MET  74   2.176   0.082   0.082
 1298   3HE   MET  74          3HE       MET  74   2.232   0.324   0.324
 1299    H    ALA  75           H        ALA  75  -1.768  -3.731  -3.731
 1300    HA   ALA  75           HA       ALA  75  -2.848  -1.204  -1.204
 1301   1HB   ALA  75          2HB       ALA  75  -2.863  -4.054  -4.054
 1302   2HB   ALA  75          1HB       ALA  75  -4.159  -3.058  -3.058
 1303   3HB   ALA  75          3HB       ALA  75  -2.476  -2.618  -2.618
 1304    H    PHE  76           H        PHE  76  -4.758  -4.157  -4.157
 1305    HA   PHE  76           HA       PHE  76  -7.226  -2.772  -2.772
 1306   1HB   PHE  76          2HB       PHE  76  -7.159  -5.080  -5.080
 1307   2HB   PHE  76          1HB       PHE  76  -6.180  -5.517  -5.517
 1308    HD1  PHE  76           HD2      PHE  76  -7.245  -4.989  -4.989
 1309    HD2  PHE  76           HD1      PHE  76  -9.481  -5.353  -5.353
 1310    HE1  PHE  76           HE2      PHE  76  -9.301  -5.459  -5.459
 1311    HE2  PHE  76           HE1      PHE  76 -11.533  -5.823  -5.823
 1312    HZ   PHE  76           HZ       PHE  76 -11.444  -5.874  -5.874
 1313    H    VAL  77           H        VAL  77  -4.967  -4.232  -4.232
 1314    HA   VAL  77           HA       VAL  77  -6.351  -3.619  -3.619
 1315    HB   VAL  77           HB       VAL  77  -4.031  -4.732  -4.732
 1316   1HG1  VAL  77          3HG1      VAL  77  -3.033  -2.718  -2.718
 1317   2HG1  VAL  77          2HG1      VAL  77  -3.179  -1.860  -1.860
 1318   3HG1  VAL  77          1HG1      VAL  77  -2.109  -3.255  -3.255
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.260  -3.592  -3.592
 1320   2HG2  VAL  77          1HG2      VAL  77  -4.025  -4.848  -4.848
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.554  -3.153  -3.153
 1322    H    ALA  78           H        ALA  78  -4.410  -1.540  -1.540
 1323    HA   ALA  78           HA       ALA  78  -4.622   0.859   0.859
 1324   1HB   ALA  78          1HB       ALA  78  -4.019   0.212   0.212
 1325   2HB   ALA  78          3HB       ALA  78  -4.009   1.871   1.871
 1326   3HB   ALA  78          2HB       ALA  78  -2.885   0.683   0.683
 1327    H    MET  79           H        MET  79  -6.399  -0.405  -0.405
 1328    HA   MET  79           HA       MET  79  -8.214   1.701   1.701
 1329   1HB   MET  79          2HB       MET  79  -8.079  -1.224  -1.224
 1330   2HB   MET  79          1HB       MET  79  -9.720  -0.581  -0.581
 1331   1HG   MET  79          2HG       MET  79  -8.925  -0.525  -0.525
 1332   2HG   MET  79          1HG       MET  79  -9.065   1.127   1.127
 1333   1HE   MET  79          2HE       MET  79  -7.313  -1.491  -1.491
 1334   2HE   MET  79          1HE       MET  79  -6.909  -0.133  -0.133
 1335   3HE   MET  79          3HE       MET  79  -5.628  -1.024  -1.024
 1336    H    ILE  80           H        ILE  80  -8.329  -0.946  -0.946
 1337    HA   ILE  80           HA       ILE  80 -10.857  -0.018  -0.018
 1338    HB   ILE  80           HB       ILE  80  -8.761  -1.762  -1.762
 1339   1HG1  ILE  80          2HG1      ILE  80  -8.939  -2.665  -2.665
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.982  -3.654  -3.654
 1341   1HG2  ILE  80          3HG2      ILE  80 -10.786  -1.107  -1.107
 1342   2HG2  ILE  80          2HG2      ILE  80 -11.790  -1.835  -1.835
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.715  -2.848  -2.848
 1344   1HD1  ILE  80          3HD1      ILE  80 -11.606  -1.530  -1.530
 1345   2HD1  ILE  80          2HD1      ILE  80 -10.691  -2.018  -2.018
 1346   3HD1  ILE  80          1HD1      ILE  80 -11.674  -3.199  -3.199
 1347    H    THR  81           H        THR  81  -7.452  -0.071  -0.071
 1348    HA   THR  81           HA       THR  81  -7.293   0.995   0.995
 1349    HB   THR  81           HB       THR  81  -5.805   1.785   1.785
 1350    HG1  THR  81           HG1      THR  81  -4.491   0.183   0.183
 1351   1HG2  THR  81          3HG2      THR  81  -5.673   2.939   2.939
 1352   2HG2  THR  81          2HG2      THR  81  -4.148   2.159   2.159
 1353   3HG2  THR  81          1HG2      THR  81  -4.813   3.408   3.408
 1354    H    THR  82           H        THR  82  -8.378   2.722   2.722
 1355    HA   THR  82           HA       THR  82  -8.375   5.382   5.382
 1356    HB   THR  82           HB       THR  82 -10.267   5.319   5.319
 1357    HG1  THR  82           HG1      THR  82  -8.244   3.706   3.706
 1358   1HG2  THR  82          3HG2      THR  82  -8.010   6.625   6.625
 1359   2HG2  THR  82          2HG2      THR  82  -7.357   5.446   5.446
 1360   3HG2  THR  82          1HG2      THR  82  -8.668   6.519   6.519
 1361    H    ALA  83           H        ALA  83 -10.318   2.677   2.677
 1362    HA   ALA  83           HA       ALA  83 -12.789   4.154   4.154
 1363   1HB   ALA  83          3HB       ALA  83 -11.963   1.247   1.247
 1364   2HB   ALA  83          2HB       ALA  83 -13.584   1.789   1.789
 1365   3HB   ALA  83          1HB       ALA  83 -12.961   2.093   2.093
 1366    H    CYS  84           H        CYS  84 -10.065   2.627   2.627
 1367    HA   CYS  84           HA       CYS  84 -10.674   1.836   1.836
 1368   1HB   CYS  84          2HB       CYS  84  -8.410   2.268   2.268
 1369   2HB   CYS  84          1HB       CYS  84  -8.682   4.009   4.009
 1370    HG   CYS  84           HG       CYS  84  -7.560   2.669   2.669
 1371    H    HIS  85           H        HIS  85  -9.630   5.081   5.081
 1372    HA   HIS  85           HA       HIS  85 -12.215   6.249   6.249
 1373   1HB   HIS  85          2HB       HIS  85 -11.189   4.303   4.303
 1374   2HB   HIS  85          1HB       HIS  85 -10.963   5.862   5.862
 1375    HD1  HIS  85           HD1      HIS  85 -13.495   7.265   7.265
 1376    HD2  HIS  85           HD2      HIS  85 -13.506   3.536   3.536
 1377    HE1  HIS  85           HE1      HIS  85 -15.870   6.864   6.864
 1378    H    GLU  86           H        GLU  86 -11.453   7.893   7.893
 1379    HA   GLU  86           HA       GLU  86 -10.386  10.004  10.004
 1380   1HB   GLU  86          2HB       GLU  86  -8.110   8.065   8.065
 1381   2HB   GLU  86          1HB       GLU  86  -7.921   9.654   9.654
 1382   1HG   GLU  86          2HG       GLU  86  -8.643   8.904   8.904
 1383   2HG   GLU  86          1HG       GLU  86 -10.017   8.071   8.071
 1384    H    PHE  87           H        PHE  87  -7.773   9.030   9.030
 1385    HA   PHE  87           HA       PHE  87  -8.362  11.244  11.244
 1386   1HB   PHE  87          2HB       PHE  87  -6.053  10.606  10.606
 1387   2HB   PHE  87          1HB       PHE  87  -6.238   9.086   9.086
 1388    HD1  PHE  87           HD1      PHE  87  -6.554   9.079   9.079
 1389    HD2  PHE  87           HD2      PHE  87  -5.587  12.626  12.626
 1390    HE1  PHE  87           HE1      PHE  87  -6.185  10.257  10.257
 1391    HE2  PHE  87           HE2      PHE  87  -5.147  13.792  13.792
 1392    HZ   PHE  87           HZ       PHE  87  -5.463  12.607  12.607
 1393    H    PHE  88           H        PHE  88  -7.822   7.721   7.721
 1394    HA   PHE  88           HA       PHE  88  -9.043   7.783   7.783
 1395   1HB   PHE  88          2HB       PHE  88  -8.310   5.630   5.630
 1396   2HB   PHE  88          1HB       PHE  88  -9.020   5.241   5.241
 1397    HD1  PHE  88           HD1      PHE  88  -7.548   7.881   7.881
 1398    HD2  PHE  88           HD2      PHE  88  -6.288   4.349   4.349
 1399    HE1  PHE  88           HE1      PHE  88  -5.309   8.072   8.072
 1400    HE2  PHE  88           HE2      PHE  88  -4.054   4.548   4.548
 1401    HZ   PHE  88           HZ       PHE  88  -3.557   6.407   6.407
 1402    H    GLU  89           H        GLU  89 -11.213   8.160   8.160
 1403    HA   GLU  89           HA       GLU  89 -13.171   6.586   6.586
 1404   1HB   GLU  89          2HB       GLU  89 -12.500   8.933   8.933
 1405   2HB   GLU  89          1HB       GLU  89 -13.569   9.555   9.555
 1406   1HG   GLU  89          2HG       GLU  89 -15.455   8.654   8.654
 1407   2HG   GLU  89          1HG       GLU  89 -14.582   7.274   7.274
 1408    H    HIS  90           H        HIS  90 -12.938   9.318   9.318
 1409    HA   HIS  90           HA       HIS  90 -14.822   7.834   7.834
 1410   1HB   HIS  90          2HB       HIS  90 -15.251  10.207  10.207
 1411   2HB   HIS  90          1HB       HIS  90 -14.939  10.735  10.735
 1412    HD1  HIS  90           HD1      HIS  90 -17.394   8.842   8.842
 1413    HD2  HIS  90           HD2      HIS  90 -16.848   9.799   9.799
 1414    HE1  HIS  90           HE1      HIS  90 -19.567   8.278   8.278
 1415    H    GLU  91           H        GLU  91 -14.606  10.097  10.097
 1416    HA   GLU  91           HA       GLU  91 -11.810  10.470  10.470
 1417   1HB   GLU  91          2HB       GLU  91 -12.327   7.990   7.990
 1418   2HB   GLU  91          1HB       GLU  91 -13.389   8.520   8.520
 1419   1HG   GLU  91          2HG       GLU  91 -10.841   9.865   9.865
 1420   2HG   GLU  91          1HG       GLU  91 -10.597   8.119   8.119

  Start of MODEL   19
    1   1H    MET   0          3H        MET   0  -0.245  -8.850  -8.850
    2   2H    MET   0          2H        MET   0   0.215 -10.472 -10.472
    3   3H    MET   0          1H        MET   0   0.448  -9.346  -9.346
    4    HA   MET   0           HA       MET   0  -1.455 -10.530 -10.530
    5   1HB   MET   0          2HB       MET   0  -1.549 -10.860 -10.860
    6   2HB   MET   0          1HB       MET   0  -3.119 -10.254 -10.254
    7   1HG   MET   0          2HG       MET   0  -2.801 -12.075 -12.075
    8   2HG   MET   0          1HG       MET   0  -1.740 -12.814 -12.814
    9   1HE   MET   0          2HE       MET   0  -5.154 -11.885 -11.885
   10   2HE   MET   0          1HE       MET   0  -6.254 -12.115 -12.115
   11   3HE   MET   0          3HE       MET   0  -5.138 -10.742 -10.742
   12    H    SER   1           H        SER   1  -2.430  -8.228  -8.228
   13    HA   SER   1           HA       SER   1  -4.189  -6.800  -6.800
   14   1HB   SER   1          2HB       SER   1  -3.748  -7.117  -7.117
   15   2HB   SER   1          1HB       SER   1  -3.731  -5.396  -5.396
   16    HG   SER   1           HG       SER   1  -5.848  -6.111  -6.111
   17    H    GLU   2           H        GLU   2  -0.876  -6.718  -6.718
   18    HA   GLU   2           HA       GLU   2  -0.044  -4.082  -4.082
   19   1HB   GLU   2          2HB       GLU   2   0.810  -6.516  -6.516
   20   2HB   GLU   2          1HB       GLU   2   1.506  -5.013  -5.013
   21   1HG   GLU   2          2HG       GLU   2   1.485  -5.208  -5.208
   22   2HG   GLU   2          1HG       GLU   2   2.479  -6.434  -6.434
   23    H    LEU   3           H        LEU   3  -1.894  -5.510  -5.510
   24    HA   LEU   3           HA       LEU   3  -1.433  -3.339  -3.339
   25   1HB   LEU   3          2HB       LEU   3  -3.007  -5.859  -5.859
   26   2HB   LEU   3          1HB       LEU   3  -3.569  -4.672  -4.672
   27    HG   LEU   3           HG       LEU   3  -1.537  -4.729  -4.729
   28   1HD1  LEU   3          1HD1      LEU   3  -0.366  -6.169  -6.169
   29   2HD1  LEU   3          3HD1      LEU   3   0.490  -5.910  -5.910
   30   3HD1  LEU   3          2HD1      LEU   3   0.014  -4.531  -4.531
   31   1HD2  LEU   3          1HD2      LEU   3  -2.919  -6.806  -6.806
   32   2HD2  LEU   3          3HD2      LEU   3  -1.208  -7.084  -7.084
   33   3HD2  LEU   3          2HD2      LEU   3  -1.913  -7.563  -7.563
   34    H    GLU   4           H        GLU   4  -4.426  -4.452  -4.452
   35    HA   GLU   4           HA       GLU   4  -5.974  -2.136  -2.136
   36   1HB   GLU   4          2HB       GLU   4  -7.009  -4.132  -4.132
   37   2HB   GLU   4          1HB       GLU   4  -5.970  -4.124  -4.124
   38   1HG   GLU   4          2HG       GLU   4  -7.397  -1.609  -1.609
   39   2HG   GLU   4          1HG       GLU   4  -8.519  -2.969  -2.969
   40    H    LYS   5           H        LYS   5  -3.564  -2.819  -2.819
   41    HA   LYS   5           HA       LYS   5  -4.014  -0.391  -0.391
   42   1HB   LYS   5          2HB       LYS   5  -1.604  -2.235  -2.235
   43   2HB   LYS   5          1HB       LYS   5  -2.096  -1.224  -1.224
   44   1HG   LYS   5          2HG       LYS   5  -4.030  -3.279  -3.279
   45   2HG   LYS   5          1HG       LYS   5  -2.691  -3.802  -3.802
   46   1HD   LYS   5          2HD       LYS   5  -4.251  -1.428  -1.428
   47   2HD   LYS   5          1HD       LYS   5  -5.018  -3.011  -3.011
   48   1HE   LYS   5          2HE       LYS   5  -3.388  -3.811  -3.811
   49   2HE   LYS   5          1HE       LYS   5  -2.196  -2.597  -2.597
   50   1HZ   LYS   5          1HZ       LYS   5  -4.731  -1.578  -1.578
   51   2HZ   LYS   5          3HZ       LYS   5  -3.729  -2.304  -2.304
   52   3HZ   LYS   5          2HZ       LYS   5  -3.156  -0.992  -0.992
   53    H    ALA   6           H        ALA   6  -1.929  -1.453  -1.453
   54    HA   ALA   6           HA       ALA   6  -0.265   0.933   0.933
   55   1HB   ALA   6          1HB       ALA   6  -0.833  -1.467  -1.467
   56   2HB   ALA   6          3HB       ALA   6  -0.060  -0.085  -0.085
   57   3HB   ALA   6          2HB       ALA   6   0.714  -0.872  -0.872
   58    H    VAL   7           H        VAL   7  -3.292  -0.164  -0.164
   59    HA   VAL   7           HA       VAL   7  -3.806   1.800   1.800
   60    HB   VAL   7           HB       VAL   7  -5.181  -0.149  -0.149
   61   1HG1  VAL   7          2HG1      VAL   7  -6.515   2.307   2.307
   62   2HG1  VAL   7          1HG1      VAL   7  -7.396   0.785   0.785
   63   3HG1  VAL   7          3HG1      VAL   7  -6.866   1.321   1.321
   64   1HG2  VAL   7          3HG2      VAL   7  -5.217   0.519   0.519
   65   2HG2  VAL   7          2HG2      VAL   7  -4.468  -0.872  -0.872
   66   3HG2  VAL   7          1HG2      VAL   7  -6.225  -0.740  -0.740
   67    H    VAL   8           H        VAL   8  -4.629   1.723   1.723
   68    HA   VAL   8           HA       VAL   8  -5.774   4.335   4.335
   69    HB   VAL   8           HB       VAL   8  -4.456   2.363   2.363
   70   1HG1  VAL   8          1HG1      VAL   8  -4.973   5.260   5.260
   71   2HG1  VAL   8          3HG1      VAL   8  -5.418   4.122   4.122
   72   3HG1  VAL   8          2HG1      VAL   8  -3.751   4.197   4.197
   73   1HG2  VAL   8          3HG2      VAL   8  -6.962   2.519   2.519
   74   2HG2  VAL   8          2HG2      VAL   8  -6.615   1.921   1.921
   75   3HG2  VAL   8          1HG2      VAL   8  -7.141   3.588   3.588
   76    H    ALA   9           H        ALA   9  -2.453   3.137   3.137
   77    HA   ALA   9           HA       ALA   9  -1.205   5.616   5.616
   78   1HB   ALA   9          2HB       ALA   9  -0.403   3.125   3.125
   79   2HB   ALA   9          1HB       ALA   9   0.083   3.446   3.446
   80   3HB   ALA   9          3HB       ALA   9   0.777   4.389   4.389
   81    H    LEU  10           H        LEU  10  -1.889   4.109   4.109
   82    HA   LEU  10           HA       LEU  10  -0.445   5.882   5.882
   83   1HB   LEU  10          2HB       LEU  10  -3.260   5.242   5.242
   84   2HB   LEU  10          1HB       LEU  10  -1.786   5.122   5.122
   85    HG   LEU  10           HG       LEU  10  -2.702   3.194   3.194
   86   1HD1  LEU  10          1HD1      LEU  10  -2.176   2.886   2.886
   87   2HD1  LEU  10          3HD1      LEU  10  -2.652   1.585   1.585
   88   3HD1  LEU  10          2HD1      LEU  10  -3.764   2.917   2.917
   89   1HD2  LEU  10          1HD2      LEU  10  -0.078   3.449   3.449
   90   2HD2  LEU  10          3HD2      LEU  10  -0.325   3.384   3.384
   91   3HD2  LEU  10          2HD2      LEU  10  -0.592   1.943   1.943
   92    H    ILE  11           H        ILE  11  -3.832   6.116   6.116
   93    HA   ILE  11           HA       ILE  11  -4.517   8.565   8.565
   94    HB   ILE  11           HB       ILE  11  -6.243   8.570   8.570
   95   1HG1  ILE  11          2HG1      ILE  11  -5.837   7.865   7.865
   96   2HG1  ILE  11          1HG1      ILE  11  -4.162   8.244   8.244
   97   1HG2  ILE  11          2HG2      ILE  11  -5.446   6.003   6.003
   98   2HG2  ILE  11          1HG2      ILE  11  -5.542   6.042   6.042
   99   3HG2  ILE  11          3HG2      ILE  11  -6.942   6.453   6.453
  100   1HD1  ILE  11          2HD1      ILE  11  -5.561  10.364  10.364
  101   2HD1  ILE  11          1HD1      ILE  11  -6.433  10.052  10.052
  102   3HD1  ILE  11          3HD1      ILE  11  -4.704  10.397  10.397
  103    H    ASP  12           H        ASP  12  -2.328   7.931   7.931
  104    HA   ASP  12           HA       ASP  12  -1.917  10.693  10.693
  105   1HB   ASP  12          2HB       ASP  12  -1.246   8.150   8.150
  106   2HB   ASP  12          1HB       ASP  12   0.290   8.729   8.729
  107    H    VAL  13           H        VAL  13  -0.042   8.351   8.351
  108    HA   VAL  13           HA       VAL  13   1.785  10.232  10.232
  109    HB   VAL  13           HB       VAL  13   0.777   7.503   7.503
  110   1HG1  VAL  13          1HG1      VAL  13   2.105   9.224   9.224
  111   2HG1  VAL  13          3HG1      VAL  13   3.470   8.487   8.487
  112   3HG1  VAL  13          2HG1      VAL  13   2.338   7.478   7.478
  113   1HG2  VAL  13          2HG2      VAL  13   2.231   8.223   8.223
  114   2HG2  VAL  13          1HG2      VAL  13   2.233   6.623   6.623
  115   3HG2  VAL  13          3HG2      VAL  13   3.492   7.788   7.788
  116    H    PHE  14           H        PHE  14  -0.962   8.495   8.495
  117    HA   PHE  14           HA       PHE  14  -0.952  10.029  10.029
  118   1HB   PHE  14          2HB       PHE  14  -2.814   8.146   8.146
  119   2HB   PHE  14          1HB       PHE  14  -3.711   9.608   9.608
  120    HD1  PHE  14           HD1      PHE  14  -3.607  10.673  10.673
  121    HD2  PHE  14           HD2      PHE  14  -1.804   6.845   6.845
  122    HE1  PHE  14           HE1      PHE  14  -3.285  10.420  10.420
  123    HE2  PHE  14           HE2      PHE  14  -1.495   6.558   6.558
  124    HZ   PHE  14           HZ       PHE  14  -2.252   8.373   8.373
  125    H    HIS  15           H        HIS  15  -2.700  10.821  10.821
  126    HA   HIS  15           HA       HIS  15  -3.979  13.181  13.181
  127   1HB   HIS  15          2HB       HIS  15  -4.050  12.437  12.437
  128   2HB   HIS  15          1HB       HIS  15  -2.294  12.337  12.337
  129    HD1  HIS  15           HD1      HIS  15  -4.899  15.080  15.080
  130    HD2  HIS  15           HD2      HIS  15  -1.236  14.512  14.512
  131    HE1  HIS  15           HE1      HIS  15  -4.349  17.262  17.262
  132    H    GLN  16           H        GLN  16  -0.508  12.870  12.870
  133    HA   GLN  16           HA       GLN  16   0.043  15.663  15.663
  134   1HB   GLN  16          2HB       GLN  16   1.408  14.688  14.688
  135   2HB   GLN  16          1HB       GLN  16   1.584  13.181  13.181
  136   1HG   GLN  16          2HG       GLN  16   2.894  14.472  14.472
  137   2HG   GLN  16          1HG       GLN  16   2.856  15.856  15.856
  138   1HE2  GLN  16          2HE2      GLN  16   4.965  14.202  14.202
  139   2HE2  GLN  16          1HE2      GLN  16   3.588  15.191  15.191
  140    H    TYR  17           H        TYR  17   0.249  12.525  12.525
  141    HA   TYR  17           HA       TYR  17   1.747  13.676  13.676
  142   1HB   TYR  17          2HB       TYR  17   0.758  11.013  11.013
  143   2HB   TYR  17          1HB       TYR  17   1.236  11.204  11.204
  144    HD1  TYR  17           HD1      TYR  17   2.385  11.355  11.355
  145    HD2  TYR  17           HD2      TYR  17   3.523  11.762  11.762
  146    HE1  TYR  17           HE1      TYR  17   4.777  11.284  11.284
  147    HE2  TYR  17           HE2      TYR  17   5.914  11.704  11.704
  148    HH   TYR  17           HH       TYR  17   7.108  12.352  12.352
  149    H    SER  18           H        SER  18  -1.648  12.427  12.427
  150    HA   SER  18           HA       SER  18  -2.379  12.800  12.800
  151   1HB   SER  18          2HB       SER  18  -4.632  13.525  13.525
  152   2HB   SER  18          1HB       SER  18  -4.154  11.848  11.848
  153    HG   SER  18           HG       SER  18  -3.707  13.495  13.495
  154    H    GLY  19           H        GLY  19  -1.578  15.083  15.083
  155   1HA   GLY  19          2HA       GLY  19  -1.259  17.311  17.311
  156   2HA   GLY  19          1HA       GLY  19  -2.972  17.347  17.347
  157    H    ARG  20           H        ARG  20   0.053  16.632  16.632
  158    HA   ARG  20           HA       ARG  20  -0.770  17.437  17.437
  159   1HB   ARG  20          2HB       ARG  20   1.671  18.275  18.275
  160   2HB   ARG  20          1HB       ARG  20   1.448  16.593  16.593
  161   1HG   ARG  20          2HG       ARG  20   1.427  17.884  17.884
  162   2HG   ARG  20          1HG       ARG  20   2.587  18.839  18.839
  163   1HD   ARG  20          2HD       ARG  20   3.225  16.169  16.169
  164   2HD   ARG  20          1HD       ARG  20   2.924  16.185  16.185
  165    HE   ARG  20           HE       ARG  20   4.856  17.519  17.519
  166   1HH1  ARG  20          2HH1      ARG  20   4.897  19.950  19.950
  167   2HH1  ARG  20          1HH1      ARG  20   5.597  19.965  19.965
  168   1HH2  ARG  20          1HH2      ARG  20   5.211  16.553  16.553
  169   2HH2  ARG  20          2HH2      ARG  20   5.775  18.040  18.040
  170    H    GLU  21           H        GLU  21   0.270  19.538  19.538
  171    HA   GLU  21           HA       GLU  21  -1.168  21.811  21.811
  172   1HB   GLU  21          2HB       GLU  21   1.431  21.448  21.448
  173   2HB   GLU  21          1HB       GLU  21   1.608  22.309  22.309
  174   1HG   GLU  21          2HG       GLU  21   1.483  24.126  24.126
  175   2HG   GLU  21          1HG       GLU  21  -0.240  23.890  23.890
  176    H    GLY  22           H        GLY  22  -0.818  20.024  20.024
  177   1HA   GLY  22          2HA       GLY  22  -1.004  22.369  22.369
  178   2HA   GLY  22          1HA       GLY  22  -0.300  20.827  20.827
  179    H    ASP  23           H        ASP  23  -1.662  19.193  19.193
  180    HA   ASP  23           HA       ASP  23  -4.321  19.891  19.891
  181   1HB   ASP  23          2HB       ASP  23  -2.598  17.431  17.431
  182   2HB   ASP  23          1HB       ASP  23  -4.292  17.276  17.276
  183    H    LYS  24           H        LYS  24  -5.893  17.692  17.692
  184    HA   LYS  24           HA       LYS  24  -6.371  18.030  18.030
  185   1HB   LYS  24          2HB       LYS  24  -8.042  17.693  17.693
  186   2HB   LYS  24          1HB       LYS  24  -8.683  17.069  17.069
  187   1HG   LYS  24          2HG       LYS  24  -8.341  19.281  19.281
  188   2HG   LYS  24          1HG       LYS  24  -7.723  19.907  19.907
  189   1HD   LYS  24          2HD       LYS  24 -10.133  18.739  18.739
  190   2HD   LYS  24          1HD       LYS  24 -10.493  19.463  19.463
  191   1HE   LYS  24          2HE       LYS  24 -10.160  21.617  21.617
  192   2HE   LYS  24          1HE       LYS  24  -8.933  21.116  21.116
  193   1HZ   LYS  24          2HZ       LYS  24 -11.779  20.310  20.310
  194   2HZ   LYS  24          1HZ       LYS  24 -11.174  21.706  21.706
  195   3HZ   LYS  24          3HZ       LYS  24 -10.573  20.180  20.180
  196    H    HIS  25           H        HIS  25  -7.677  15.526  15.526
  197    HA   HIS  25           HA       HIS  25  -6.346  13.464  13.464
  198   1HB   HIS  25          2HB       HIS  25  -8.673  13.434  13.434
  199   2HB   HIS  25          1HB       HIS  25  -9.045  13.729  13.729
  200    HD1  HIS  25           HD1      HIS  25 -10.598  11.538  11.538
  201    HD2  HIS  25           HD2      HIS  25  -6.491  10.885  10.885
  202    HE1  HIS  25           HE1      HIS  25 -10.251   9.050   9.050
  203    H    LYS  26           H        LYS  26  -4.693  14.207  14.207
  204    HA   LYS  26           HA       LYS  26  -4.693  11.896  11.896
  205   1HB   LYS  26          2HB       LYS  26  -5.145  14.756  14.756
  206   2HB   LYS  26          1HB       LYS  26  -4.211  13.728  13.728
  207   1HG   LYS  26          2HG       LYS  26  -6.119  12.835  12.835
  208   2HG   LYS  26          1HG       LYS  26  -6.463  12.218  12.218
  209   1HD   LYS  26          2HD       LYS  26  -7.002  15.009  15.009
  210   2HD   LYS  26          1HD       LYS  26  -7.771  14.341  14.341
  211   1HE   LYS  26          2HE       LYS  26  -8.248  13.617  13.617
  212   2HE   LYS  26          1HE       LYS  26  -9.432  14.053  14.053
  213   1HZ   LYS  26          3HZ       LYS  26  -8.286  11.984  11.984
  214   2HZ   LYS  26          2HZ       LYS  26  -8.065  11.514  11.514
  215   3HZ   LYS  26          1HZ       LYS  26  -9.628  11.816  11.816
  216    H    LEU  27           H        LEU  27  -2.575  11.933  11.933
  217    HA   LEU  27           HA       LEU  27  -0.428  13.373  13.373
  218   1HB   LEU  27          2HB       LEU  27  -1.012  10.580  10.580
  219   2HB   LEU  27          1HB       LEU  27   0.490  10.849  10.849
  220    HG   LEU  27           HG       LEU  27   0.491  12.462  12.462
  221   1HD1  LEU  27          2HD1      LEU  27  -0.642   9.762   9.762
  222   2HD1  LEU  27          1HD1      LEU  27   0.758  10.045  10.045
  223   3HD1  LEU  27          3HD1      LEU  27  -0.647  11.105  11.105
  224   1HD2  LEU  27          3HD2      LEU  27   2.316  11.218  11.218
  225   2HD2  LEU  27          2HD2      LEU  27   2.660  11.711  11.711
  226   3HD2  LEU  27          1HD2      LEU  27   2.209  10.041  10.041
  227    H    LYS  28           H        LYS  28   0.862  14.511  14.511
  228    HA   LYS  28           HA       LYS  28   0.517  14.219  14.219
  229   1HB   LYS  28          2HB       LYS  28   2.190  16.101  16.101
  230   2HB   LYS  28          1HB       LYS  28   1.791  16.317  16.317
  231   1HG   LYS  28          2HG       LYS  28  -0.279  17.112  17.112
  232   2HG   LYS  28          1HG       LYS  28  -0.567  15.875  15.875
  233   1HD   LYS  28          2HD       LYS  28  -0.474  17.742  17.742
  234   2HD   LYS  28          1HD       LYS  28   1.235  17.303  17.303
  235   1HE   LYS  28          2HE       LYS  28   0.730  18.909  18.909
  236   2HE   LYS  28          1HE       LYS  28   0.065  19.746  19.746
  237   1HZ   LYS  28          2HZ       LYS  28   2.739  18.461  18.461
  238   2HZ   LYS  28          1HZ       LYS  28   2.507  20.100  20.100
  239   3HZ   LYS  28          3HZ       LYS  28   2.102  19.526  19.526
  240    H    LYS  29           H        LYS  29   2.104  13.425  13.425
  241    HA   LYS  29           HA       LYS  29   3.974  11.531  11.531
  242   1HB   LYS  29          2HB       LYS  29   4.294  13.914  13.914
  243   2HB   LYS  29          1HB       LYS  29   5.217  12.417  12.417
  244   1HG   LYS  29          2HG       LYS  29   2.254  12.147  12.147
  245   2HG   LYS  29          1HG       LYS  29   2.934  12.819  12.819
  246   1HD   LYS  29          2HD       LYS  29   4.021  10.296  10.296
  247   2HD   LYS  29          1HD       LYS  29   2.686  10.267  10.267
  248   1HE   LYS  29          2HE       LYS  29   4.813  11.957  11.957
  249   2HE   LYS  29          1HE       LYS  29   5.435  10.338  10.338
  250   1HZ   LYS  29          3HZ       LYS  29   3.354   9.481   9.481
  251   2HZ   LYS  29          2HZ       LYS  29   3.127  11.051  11.051
  252   3HZ   LYS  29          1HZ       LYS  29   4.512  10.165  10.165
  253    H    SER  30           H        SER  30   4.373  14.991  14.991
  254    HA   SER  30           HA       SER  30   7.194  14.812  14.812
  255   1HB   SER  30          2HB       SER  30   6.592  16.951  16.951
  256   2HB   SER  30          1HB       SER  30   4.970  16.805  16.805
  257    HG   SER  30           HG       SER  30   7.335  16.960  16.960
  258    H    GLU  31           H        GLU  31   4.112  14.998  14.998
  259    HA   GLU  31           HA       GLU  31   5.196  15.020  15.020
  260   1HB   GLU  31          2HB       GLU  31   2.640  14.210  14.210
  261   2HB   GLU  31          1HB       GLU  31   2.876  13.732  13.732
  262   1HG   GLU  31          2HG       GLU  31   3.572  16.232  16.232
  263   2HG   GLU  31          1HG       GLU  31   2.714  16.499  16.499
  264    H    LEU  32           H        LEU  32   4.229  12.345  12.345
  265    HA   LEU  32           HA       LEU  32   4.730  10.146  10.146
  266   1HB   LEU  32          2HB       LEU  32   3.940  10.502  10.502
  267   2HB   LEU  32          1HB       LEU  32   5.629  10.119  10.119
  268    HG   LEU  32           HG       LEU  32   5.444   8.007   8.007
  269   1HD1  LEU  32          1HD1      LEU  32   2.831   9.195   9.195
  270   2HD1  LEU  32          3HD1      LEU  32   2.931   7.443   7.443
  271   3HD1  LEU  32          2HD1      LEU  32   4.007   8.278   8.278
  272   1HD2  LEU  32          2HD2      LEU  32   3.911   8.696   8.696
  273   2HD2  LEU  32          1HD2      LEU  32   4.640   7.141   7.141
  274   3HD2  LEU  32          3HD2      LEU  32   2.998   7.509   7.509
  275    H    LYS  33           H        LYS  33   7.044  11.750  11.750
  276    HA   LYS  33           HA       LYS  33   9.384  10.352  10.352
  277   1HB   LYS  33          2HB       LYS  33   8.626  12.749  12.749
  278   2HB   LYS  33          1HB       LYS  33   9.710  13.272  13.272
  279   1HG   LYS  33          2HG       LYS  33  10.415  11.066  11.066
  280   2HG   LYS  33          1HG       LYS  33  10.847  12.756  12.756
  281   1HD   LYS  33          2HD       LYS  33  12.540  12.656  12.656
  282   2HD   LYS  33          1HD       LYS  33  11.533  11.841  11.841
  283   1HE   LYS  33          2HE       LYS  33  12.549   9.875   9.875
  284   2HE   LYS  33          1HE       LYS  33  12.057  10.021  10.021
  285   1HZ   LYS  33          3HZ       LYS  33  14.353  11.480  11.480
  286   2HZ   LYS  33          2HZ       LYS  33  14.507  10.023  10.023
  287   3HZ   LYS  33          1HZ       LYS  33  13.924  11.414  11.414
  288    H    GLU  34           H        GLU  34   8.257  13.202  13.202
  289    HA   GLU  34           HA       GLU  34  10.144  13.188  13.188
  290   1HB   GLU  34          2HB       GLU  34   7.483  14.180  14.180
  291   2HB   GLU  34          1HB       GLU  34   7.590  13.673  13.673
  292   1HG   GLU  34          2HG       GLU  34   8.636  15.623  15.623
  293   2HG   GLU  34          1HG       GLU  34  10.001  15.023  15.023
  294    H    LEU  35           H        LEU  35   6.983  11.530  11.530
  295    HA   LEU  35           HA       LEU  35   7.035  10.122  10.122
  296   1HB   LEU  35          2HB       LEU  35   5.469  10.152  10.152
  297   2HB   LEU  35          1HB       LEU  35   6.379   8.711   8.711
  298    HG   LEU  35           HG       LEU  35   5.586   8.619   8.619
  299   1HD1  LEU  35          3HD1      LEU  35   3.670   9.770   9.770
  300   2HD1  LEU  35          2HD1      LEU  35   3.142   8.129   8.129
  301   3HD1  LEU  35          1HD1      LEU  35   3.432   9.273   9.273
  302   1HD2  LEU  35          1HD2      LEU  35   6.348   6.707   6.707
  303   2HD2  LEU  35          3HD2      LEU  35   4.739   6.422   6.422
  304   3HD2  LEU  35          2HD2      LEU  35   4.926   6.895   6.895
  305    H    ILE  36           H        ILE  36   8.964   9.412   9.412
  306    HA   ILE  36           HA       ILE  36  10.013   6.915   6.915
  307    HB   ILE  36           HB       ILE  36  11.033   8.464   8.464
  308   1HG1  ILE  36          2HG1      ILE  36   8.692   8.511   8.511
  309   2HG1  ILE  36          1HG1      ILE  36   9.256   7.093   7.093
  310   1HG2  ILE  36          1HG2      ILE  36  11.995   6.231   6.231
  311   2HG2  ILE  36          3HG2      ILE  36  10.581   5.508   5.508
  312   3HG2  ILE  36          2HG2      ILE  36  11.757   6.390   6.390
  313   1HD1  ILE  36          3HD1      ILE  36   8.727   5.768   5.768
  314   2HD1  ILE  36          2HD1      ILE  36   7.831   7.194   7.194
  315   3HD1  ILE  36          1HD1      ILE  36   7.352   6.339   6.339
  316    H    ASN  37           H        ASN  37  11.404  10.123  10.123
  317    HA   ASN  37           HA       ASN  37  13.993   9.507   9.507
  318   1HB   ASN  37          2HB       ASN  37  14.509  11.491  11.491
  319   2HB   ASN  37          1HB       ASN  37  12.888  11.394  11.394
  320   1HD2  ASN  37          2HD2      ASN  37  12.012  14.420  14.420
  321   2HD2  ASN  37          1HD2      ASN  37  11.910  13.416  13.416
  322    H    ASN  38           H        ASN  38  11.019  10.775  10.775
  323    HA   ASN  38           HA       ASN  38  12.282  11.797  11.797
  324   1HB   ASN  38          2HB       ASN  38   9.614  11.587  11.587
  325   2HB   ASN  38          1HB       ASN  38   9.601  11.516  11.516
  326   1HD2  ASN  38          2HD2      ASN  38   9.522  15.122  15.122
  327   2HD2  ASN  38          1HD2      ASN  38   8.532  13.781  13.781
  328    H    GLU  39           H        GLU  39  11.514   8.713   8.713
  329    HA   GLU  39           HA       GLU  39  11.495   7.579   7.579
  330   1HB   GLU  39          2HB       GLU  39   9.863   6.980   6.980
  331   2HB   GLU  39          1HB       GLU  39  10.032   5.798   5.798
  332   1HG   GLU  39          2HG       GLU  39   8.530   6.888   6.888
  333   2HG   GLU  39          1HG       GLU  39   9.425   8.398   8.398
  334    H    LEU  40           H        LEU  40  12.123   6.860   6.860
  335    HA   LEU  40           HA       LEU  40  13.986   4.676   4.676
  336   1HB   LEU  40          2HB       LEU  40  12.737   5.727   5.727
  337   2HB   LEU  40          1HB       LEU  40  14.034   4.533   4.533
  338    HG   LEU  40           HG       LEU  40  11.856   3.923   3.923
  339   1HD1  LEU  40          3HD1      LEU  40  11.401   4.252   4.252
  340   2HD1  LEU  40          2HD1      LEU  40  10.578   2.952   2.952
  341   3HD1  LEU  40          1HD1      LEU  40  10.321   4.628   4.628
  342   1HD2  LEU  40          1HD2      LEU  40  13.628   2.515   2.515
  343   2HD2  LEU  40          3HD2      LEU  40  13.384   2.183   2.183
  344   3HD2  LEU  40          2HD2      LEU  40  12.152   1.715   1.715
  345    H    SER  41           H        SER  41  15.287   6.659   6.659
  346    HA   SER  41           HA       SER  41  16.633   8.646   8.646
  347   1HB   SER  41          2HB       SER  41  17.449   6.627   6.627
  348   2HB   SER  41          1HB       SER  41  18.622   7.815   7.815
  349    HG   SER  41           HG       SER  41  16.618   9.277   9.277
  350    H    HIS  42           H        HIS  42  17.278   5.167   5.167
  351    HA   HIS  42           HA       HIS  42  19.747   5.216   5.216
  352   1HB   HIS  42          2HB       HIS  42  17.284   3.477   3.477
  353   2HB   HIS  42          1HB       HIS  42  18.825   3.095   3.095
  354    HD1  HIS  42           HD1      HIS  42  19.723   1.203   1.203
  355    HD2  HIS  42           HD2      HIS  42  18.331   4.353   4.353
  356    HE1  HIS  42           HE1      HIS  42  20.344   0.643   0.643
  357    H    PHE  43           H        PHE  43  16.457   5.622   5.622
  358    HA   PHE  43           HA       PHE  43  17.481   5.951   5.951
  359   1HB   PHE  43          2HB       PHE  43  14.774   6.403   6.403
  360   2HB   PHE  43          1HB       PHE  43  15.068   6.466   6.466
  361    HD1  PHE  43           HD2      PHE  43  17.385   4.165   4.165
  362    HD2  PHE  43           HD1      PHE  43  13.117   4.549   4.549
  363    HE1  PHE  43           HE2      PHE  43  17.149   1.706   1.706
  364    HE2  PHE  43           HE1      PHE  43  12.888   2.077   2.077
  365    HZ   PHE  43           HZ       PHE  43  14.913   0.668   0.668
  366    H    LEU  44           H        LEU  44  17.293   8.006   8.006
  367    HA   LEU  44           HA       LEU  44  16.633  10.530  10.530
  368   1HB   LEU  44          2HB       LEU  44  17.555   9.608   9.608
  369   2HB   LEU  44          1HB       LEU  44  19.082  10.210  10.210
  370    HG   LEU  44           HG       LEU  44  17.557  12.331  12.331
  371   1HD1  LEU  44          2HD1      LEU  44  15.791  10.714  10.714
  372   2HD1  LEU  44          1HD1      LEU  44  16.324  11.932  11.932
  373   3HD1  LEU  44          3HD1      LEU  44  15.581  12.428  12.428
  374   1HD2  LEU  44          3HD2      LEU  44  19.599  11.899  11.899
  375   2HD2  LEU  44          2HD2      LEU  44  18.653  13.385  13.385
  376   3HD2  LEU  44          1HD2      LEU  44  18.341  12.065  12.065
  377    H    GLU  45           H        GLU  45  19.432   8.485   8.485
  378    HA   GLU  45           HA       GLU  45  20.925  10.386  10.386
  379   1HB   GLU  45          2HB       GLU  45  21.346   7.952   7.952
  380   2HB   GLU  45          1HB       GLU  45  22.205   7.920   7.920
  381   1HG   GLU  45          2HG       GLU  45  23.541   8.950   8.950
  382   2HG   GLU  45          1HG       GLU  45  23.289  10.037  10.037
  383    H    GLU  46           H        GLU  46  18.944   7.515   7.515
  384    HA   GLU  46           HA       GLU  46  17.892   6.423   6.423
  385   1HB   GLU  46          2HB       GLU  46  17.736   8.903   8.903
  386   2HB   GLU  46          1HB       GLU  46  19.119   8.609   8.609
  387   1HG   GLU  46          2HG       GLU  46  17.908   7.327   7.327
  388   2HG   GLU  46          1HG       GLU  46  16.856   6.688   6.688
  389    H    ILE  47           H        ILE  47  21.159   6.668   6.668
  390    HA   ILE  47           HA       ILE  47  22.039   5.348   5.348
  391    HB   ILE  47           HB       ILE  47  23.253   7.131   7.131
  392   1HG1  ILE  47          2HG1      ILE  47  24.356   5.705   5.705
  393   2HG1  ILE  47          1HG1      ILE  47  25.436   6.110   6.110
  394   1HG2  ILE  47          2HG2      ILE  47  23.678   4.712   4.712
  395   2HG2  ILE  47          1HG2      ILE  47  24.495   6.265   6.265
  396   3HG2  ILE  47          3HG2      ILE  47  22.749   6.151   6.151
  397   1HD1  ILE  47          1HD1      ILE  47  24.368   3.824   3.824
  398   2HD1  ILE  47          3HD1      ILE  47  24.266   3.486   3.486
  399   3HD1  ILE  47          2HD1      ILE  47  25.827   3.848   3.848
  400    H    LYS  48           H        LYS  48  21.494   4.615   4.615
  401    HA   LYS  48           HA       LYS  48  22.569   1.994   1.994
  402   1HB   LYS  48          2HB       LYS  48  20.585   3.694   3.694
  403   2HB   LYS  48          1HB       LYS  48  20.394   1.960   1.960
  404   1HG   LYS  48          2HG       LYS  48  21.898   2.573   2.573
  405   2HG   LYS  48          1HG       LYS  48  22.964   1.973   1.973
  406   1HD   LYS  48          2HD       LYS  48  23.988   3.998   3.998
  407   2HD   LYS  48          1HD       LYS  48  22.949   4.476   4.476
  408   1HE   LYS  48          2HE       LYS  48  21.792   5.891   5.891
  409   2HE   LYS  48          1HE       LYS  48  21.486   4.596   4.596
  410   1HZ   LYS  48          1HZ       LYS  48  24.213   5.621   5.621
  411   2HZ   LYS  48          3HZ       LYS  48  23.069   6.636   6.636
  412   3HZ   LYS  48          2HZ       LYS  48  23.348   5.081   5.081
  413    H    GLU  49           H        GLU  49  19.858   3.186   3.186
  414    HA   GLU  49           HA       GLU  49  18.883   0.378   0.378
  415   1HB   GLU  49          2HB       GLU  49  16.677   1.692   1.692
  416   2HB   GLU  49          1HB       GLU  49  17.191   1.487   1.487
  417   1HG   GLU  49          2HG       GLU  49  17.858   3.708   3.708
  418   2HG   GLU  49          1HG       GLU  49  18.129   3.892   3.892
  419    H    GLN  50           H        GLN  50  20.565   0.516   0.516
  420    HA   GLN  50           HA       GLN  50  20.178   2.341   2.341
  421   1HB   GLN  50          2HB       GLN  50  21.506  -0.366  -0.366
  422   2HB   GLN  50          1HB       GLN  50  21.626   0.599   0.599
  423   1HG   GLN  50          2HG       GLN  50  22.510   2.494   2.494
  424   2HG   GLN  50          1HG       GLN  50  22.559   1.383   1.383
  425   1HE2  GLN  50          2HE2      GLN  50  25.308   0.988   0.988
  426   2HE2  GLN  50          1HE2      GLN  50  23.938   1.964   1.964
  427    H    GLU  51           H        GLU  51  19.918  -1.161  -1.161
  428    HA   GLU  51           HA       GLU  51  18.113  -1.142  -1.142
  429   1HB   GLU  51          2HB       GLU  51  19.365  -3.093  -3.093
  430   2HB   GLU  51          1HB       GLU  51  18.339  -3.129  -3.129
  431   1HG   GLU  51          2HG       GLU  51  16.354  -3.299  -3.299
  432   2HG   GLU  51          1HG       GLU  51  17.548  -3.657  -3.657
  433    H    VAL  52           H        VAL  52  17.407  -0.762  -0.762
  434    HA   VAL  52           HA       VAL  52  14.527  -1.116  -1.116
  435    HB   VAL  52           HB       VAL  52  16.192   0.140   0.140
  436   1HG1  VAL  52          2HG1      VAL  52  13.299  -0.518  -0.518
  437   2HG1  VAL  52          1HG1      VAL  52  14.031  -0.871  -0.871
  438   3HG1  VAL  52          3HG1      VAL  52  14.058   0.773   0.773
  439   1HG2  VAL  52          2HG2      VAL  52  16.735  -2.254  -2.254
  440   2HG2  VAL  52          1HG2      VAL  52  16.186  -2.038  -2.038
  441   3HG2  VAL  52          3HG2      VAL  52  15.079  -2.669  -2.669
  442    H    VAL  53           H        VAL  53  16.791   1.633   1.633
  443    HA   VAL  53           HA       VAL  53  14.978   3.786   3.786
  444    HB   VAL  53           HB       VAL  53  17.692   3.227   3.227
  445   1HG1  VAL  53          1HG1      VAL  53  16.024   5.621   5.621
  446   2HG1  VAL  53          3HG1      VAL  53  17.783   5.576   5.576
  447   3HG1  VAL  53          2HG1      VAL  53  16.805   4.449   4.449
  448   1HG2  VAL  53          3HG2      VAL  53  17.020   4.103   4.103
  449   2HG2  VAL  53          2HG2      VAL  53  18.350   4.908   4.908
  450   3HG2  VAL  53          1HG2      VAL  53  16.749   5.645   5.645
  451    H    ASP  54           H        ASP  54  15.865   1.544   1.544
  452    HA   ASP  54           HA       ASP  54  14.416   2.848   2.848
  453   1HB   ASP  54          2HB       ASP  54  16.016   1.342   1.342
  454   2HB   ASP  54          1HB       ASP  54  15.766   0.245   0.245
  455    H    LYS  55           H        LYS  55  13.736   0.240   0.240
  456    HA   LYS  55           HA       LYS  55  11.010  -0.209  -0.209
  457   1HB   LYS  55          2HB       LYS  55  12.777  -1.014  -1.014
  458   2HB   LYS  55          1HB       LYS  55  11.047  -1.353  -1.353
  459   1HG   LYS  55          2HG       LYS  55  11.654  -3.256  -3.256
  460   2HG   LYS  55          1HG       LYS  55  11.538  -2.198  -2.198
  461   1HD   LYS  55          2HD       LYS  55  13.923  -1.739  -1.739
  462   2HD   LYS  55          1HD       LYS  55  14.080  -2.684  -2.684
  463   1HE   LYS  55          2HE       LYS  55  12.821  -4.081  -4.081
  464   2HE   LYS  55          1HE       LYS  55  14.559  -3.748  -3.748
  465   1HZ   LYS  55          1HZ       LYS  55  14.687  -4.578  -4.578
  466   2HZ   LYS  55          3HZ       LYS  55  13.133  -5.212  -5.212
  467   3HZ   LYS  55          2HZ       LYS  55  14.425  -5.754  -5.754
  468    H    VAL  56           H        VAL  56  12.148   0.959   0.959
  469    HA   VAL  56           HA       VAL  56   9.852   2.029   2.029
  470    HB   VAL  56           HB       VAL  56  12.716   2.993   2.993
  471   1HG1  VAL  56          1HG1      VAL  56  10.370   4.179   4.179
  472   2HG1  VAL  56          3HG1      VAL  56  12.050   4.438   4.438
  473   3HG1  VAL  56          2HG1      VAL  56  11.472   5.015   5.015
  474   1HG2  VAL  56          2HG2      VAL  56  12.105   0.869   0.869
  475   2HG2  VAL  56          1HG2      VAL  56  12.711   2.099   2.099
  476   3HG2  VAL  56          3HG2      VAL  56  10.980   1.778   1.778
  477    H    MET  57           H        MET  57  11.776   3.443   3.443
  478    HA   MET  57           HA       MET  57  10.174   5.908   5.908
  479   1HB   MET  57          2HB       MET  57  12.327   4.677   4.677
  480   2HB   MET  57          1HB       MET  57  11.596   6.243   6.243
  481   1HG   MET  57          2HG       MET  57  12.912   5.559   5.559
  482   2HG   MET  57          1HG       MET  57  13.742   6.380   6.380
  483   1HE   MET  57          3HE       MET  57  13.633   8.362   8.362
  484   2HE   MET  57          2HE       MET  57  12.771   9.778   9.778
  485   3HE   MET  57          1HE       MET  57  14.078   9.086   9.086
  486    H    GLU  58           H        GLU  58  10.243   2.787   2.787
  487    HA   GLU  58           HA       GLU  58   8.610   3.496   3.496
  488   1HB   GLU  58          2HB       GLU  58   8.713   1.213   1.213
  489   2HB   GLU  58          1HB       GLU  58  10.080   1.380   1.380
  490   1HG   GLU  58          2HG       GLU  58   8.953  -0.437  -0.437
  491   2HG   GLU  58          1HG       GLU  58   8.270   0.901   0.901
  492    H    THR  59           H        THR  59   7.833   2.516   2.516
  493    HA   THR  59           HA       THR  59   4.959   2.310   2.310
  494    HB   THR  59           HB       THR  59   6.752   2.067   2.067
  495    HG1  THR  59           HG1      THR  59   6.521   0.341   0.341
  496   1HG2  THR  59          2HG2      THR  59   3.723   1.949   1.949
  497   2HG2  THR  59          1HG2      THR  59   4.715   1.457   1.457
  498   3HG2  THR  59          3HG2      THR  59   4.696   3.145   3.145
  499    H    LEU  60           H        LEU  60   7.125   4.487   4.487
  500    HA   LEU  60           HA       LEU  60   5.191   6.275   6.275
  501   1HB   LEU  60          2HB       LEU  60   7.912   5.986   5.986
  502   2HB   LEU  60          1HB       LEU  60   7.727   7.426   7.426
  503    HG   LEU  60           HG       LEU  60   6.549   7.025   7.025
  504   1HD1  LEU  60          1HD1      LEU  60   9.132   7.618   7.618
  505   2HD1  LEU  60          3HD1      LEU  60   8.428   9.235   9.235
  506   3HD1  LEU  60          2HD1      LEU  60   8.303   8.231   8.231
  507   1HD2  LEU  60          3HD2      LEU  60   5.115   8.372   8.372
  508   2HD2  LEU  60          2HD2      LEU  60   5.811   9.363   9.363
  509   3HD2  LEU  60          1HD2      LEU  60   6.487   9.425   9.425
  510    H    ASP  61           H        ASP  61   6.860   6.319   6.319
  511    HA   ASP  61           HA       ASP  61   5.522   8.752   8.752
  512   1HB   ASP  61          2HB       ASP  61   7.629   6.966   6.966
  513   2HB   ASP  61          1HB       ASP  61   6.540   7.209   7.209
  514    H    SER  62           H        SER  62   5.096   5.258   5.258
  515    HA   SER  62           HA       SER  62   2.768   5.799   5.799
  516   1HB   SER  62          2HB       SER  62   2.928   3.479   3.479
  517   2HB   SER  62          1HB       SER  62   4.584   4.067   4.067
  518    HG   SER  62           HG       SER  62   3.080   2.511   2.511
  519    H    ASP  63           H        ASP  63   3.165   5.681   5.681
  520    HA   ASP  63           HA       ASP  63   1.113   3.942   3.942
  521   1HB   ASP  63          2HB       ASP  63   2.876   5.952   5.952
  522   2HB   ASP  63          1HB       ASP  63   1.264   6.450   6.450
  523    H    GLY  64           H        GLY  64  -0.517   6.100   6.100
  524   1HA   GLY  64          2HA       GLY  64  -2.716   6.272   6.272
  525   2HA   GLY  64          1HA       GLY  64  -2.386   7.472   7.472
  526    H    ASP  65           H        ASP  65   0.298   7.983   7.983
  527    HA   ASP  65           HA       ASP  65   1.119   9.755   9.755
  528   1HB   ASP  65          2HB       ASP  65   1.316   7.874   7.874
  529   2HB   ASP  65          1HB       ASP  65  -0.416   7.865   7.865
  530    H    GLY  66           H        GLY  66  -0.943  10.809  10.809
  531   1HA   GLY  66          2HA       GLY  66  -1.843  12.997  12.997
  532   2HA   GLY  66          1HA       GLY  66  -3.107  11.780  11.780
  533    H    GLU  67           H        GLU  67  -3.323  10.580  10.580
  534    HA   GLU  67           HA       GLU  67  -3.457  12.667  12.667
  535   1HB   GLU  67          2HB       GLU  67  -5.520  13.014  13.014
  536   2HB   GLU  67          1HB       GLU  67  -5.736  11.303  11.303
  537   1HG   GLU  67          2HG       GLU  67  -6.858  11.005  11.005
  538   2HG   GLU  67          1HG       GLU  67  -5.522  11.684  11.684
  539    H    CYS  68           H        CYS  68  -2.300  11.512  11.512
  540    HA   CYS  68           HA       CYS  68  -2.869   8.618   8.618
  541   1HB   CYS  68          2HB       CYS  68  -1.019  10.457  10.457
  542   2HB   CYS  68          1HB       CYS  68  -0.918   8.701   8.701
  543    HG   CYS  68           HG       CYS  68  -0.513  10.475  10.475
  544    H    ASP  69           H        ASP  69  -3.728   7.794   7.794
  545    HA   ASP  69           HA       ASP  69  -4.866   9.845   9.845
  546   1HB   ASP  69          2HB       ASP  69  -7.022   8.902   8.902
  547   2HB   ASP  69          1HB       ASP  69  -6.403   8.880   8.880
  548    H    PHE  70           H        PHE  70  -5.889   8.575   8.575
  549    HA   PHE  70           HA       PHE  70  -4.150   7.496   7.496
  550   1HB   PHE  70          2HB       PHE  70  -6.970   6.732   6.732
  551   2HB   PHE  70          1HB       PHE  70  -6.124   5.990   5.990
  552    HD1  PHE  70           HD1      PHE  70  -5.199   9.369   9.369
  553    HD2  PHE  70           HD2      PHE  70  -7.740   7.083   7.083
  554    HE1  PHE  70           HE1      PHE  70  -5.669  11.388  11.388
  555    HE2  PHE  70           HE2      PHE  70  -8.237   9.112   9.112
  556    HZ   PHE  70           HZ       PHE  70  -7.175  11.265  11.265
  557    H    GLN  71           H        GLN  71  -5.374   5.723   5.723
  558    HA   GLN  71           HA       GLN  71  -4.111   3.207   3.207
  559   1HB   GLN  71          2HB       GLN  71  -5.322   2.311   2.311
  560   2HB   GLN  71          1HB       GLN  71  -6.372   3.414   3.414
  561   1HG   GLN  71          2HG       GLN  71  -6.698   4.550   4.550
  562   2HG   GLN  71          1HG       GLN  71  -5.002   5.031   5.031
  563   1HE2  GLN  71          2HE2      GLN  71  -5.220   3.380   3.380
  564   2HE2  GLN  71          1HE2      GLN  71  -5.592   4.871   4.871
  565    H    GLU  72           H        GLU  72  -3.180   5.887   5.887
  566    HA   GLU  72           HA       GLU  72  -1.478   4.320   4.320
  567   1HB   GLU  72          2HB       GLU  72  -2.059   7.181   7.181
  568   2HB   GLU  72          1HB       GLU  72  -0.541   6.814   6.814
  569   1HG   GLU  72          2HG       GLU  72  -2.391   5.167   5.167
  570   2HG   GLU  72          1HG       GLU  72  -3.267   6.681   6.681
  571    H    PHE  73           H        PHE  73  -0.615   6.699   6.699
  572    HA   PHE  73           HA       PHE  73   2.115   6.170   6.170
  573   1HB   PHE  73          2HB       PHE  73   1.654   7.840   7.840
  574   2HB   PHE  73          1HB       PHE  73   0.035   7.233   7.233
  575    HD1  PHE  73           HD2      PHE  73   3.166   5.298   5.298
  576    HD2  PHE  73           HD1      PHE  73  -0.006   7.535   7.535
  577    HE1  PHE  73           HE2      PHE  73   3.830   4.455   4.455
  578    HE2  PHE  73           HE1      PHE  73   0.625   6.692   6.692
  579    HZ   PHE  73           HZ       PHE  73   2.554   5.154   5.154
  580    H    MET  74           H        MET  74  -0.385   4.420   4.420
  581    HA   MET  74           HA       MET  74   1.345   2.448   2.448
  582   1HB   MET  74          2HB       MET  74  -1.562   2.490   2.490
  583   2HB   MET  74          1HB       MET  74  -0.852   1.092   1.092
  584   1HG   MET  74          2HG       MET  74  -0.796   3.914   3.914
  585   2HG   MET  74          1HG       MET  74  -1.951   2.672   2.672
  586   1HE   MET  74          2HE       MET  74  -1.839   1.175   1.175
  587   2HE   MET  74          1HE       MET  74  -0.606  -0.038  -0.038
  588   3HE   MET  74          3HE       MET  74  -0.602   0.831   0.831
  589    H    ALA  75           H        ALA  75  -0.226   2.673   2.673
  590    HA   ALA  75           HA       ALA  75   0.392   0.018   0.018
  591   1HB   ALA  75          3HB       ALA  75  -1.297   1.595   1.595
  592   2HB   ALA  75          2HB       ALA  75   0.017   2.622   2.622
  593   3HB   ALA  75          1HB       ALA  75  -0.194   1.005   1.005
  594    H    PHE  76           H        PHE  76   1.875   3.090   3.090
  595    HA   PHE  76           HA       PHE  76   4.097   1.916   1.916
  596   1HB   PHE  76          2HB       PHE  76   3.358   4.161   4.161
  597   2HB   PHE  76          1HB       PHE  76   3.557   4.639   4.639
  598    HD1  PHE  76           HD2      PHE  76   5.643   2.990   2.990
  599    HD2  PHE  76           HD1      PHE  76   5.426   5.922   5.922
  600    HE1  PHE  76           HE2      PHE  76   7.986   3.655   3.655
  601    HE2  PHE  76           HE1      PHE  76   7.768   6.586   6.586
  602    HZ   PHE  76           HZ       PHE  76   9.049   5.453   5.453
  603    H    VAL  77           H        VAL  77   3.845   3.401   3.401
  604    HA   VAL  77           HA       VAL  77   6.488   3.105   3.105
  605    HB   VAL  77           HB       VAL  77   4.297   3.932   3.932
  606   1HG1  VAL  77          3HG1      VAL  77   4.409   1.026   1.026
  607   2HG1  VAL  77          2HG1      VAL  77   3.556   2.259   2.259
  608   3HG1  VAL  77          1HG1      VAL  77   3.056   1.894   1.894
  609   1HG2  VAL  77          1HG2      VAL  77   6.853   3.565   3.565
  610   2HG2  VAL  77          3HG2      VAL  77   5.589   4.249   4.249
  611   3HG2  VAL  77          2HG2      VAL  77   5.996   2.538   2.538
  612    H    ALA  78           H        ALA  78   3.942   0.637   0.637
  613    HA   ALA  78           HA       ALA  78   5.594  -1.523  -1.523
  614   1HB   ALA  78          2HB       ALA  78   3.057  -1.386  -1.386
  615   2HB   ALA  78          1HB       ALA  78   3.179  -1.648  -1.648
  616   3HB   ALA  78          3HB       ALA  78   3.725  -2.898  -2.898
  617    H    MET  79           H        MET  79   4.949  -0.115  -0.115
  618    HA   MET  79           HA       MET  79   6.241  -2.160  -2.160
  619   1HB   MET  79          2HB       MET  79   4.724   0.150   0.150
  620   2HB   MET  79          1HB       MET  79   6.308   0.592   0.592
  621   1HG   MET  79          2HG       MET  79   5.820  -0.547  -0.547
  622   2HG   MET  79          1HG       MET  79   5.802  -2.029  -2.029
  623   1HE   MET  79          1HE       MET  79   4.420  -1.478  -1.478
  624   2HE   MET  79          3HE       MET  79   2.659  -1.312  -1.312
  625   3HE   MET  79          2HE       MET  79   3.684   0.109   0.109
  626    H    ILE  80           H        ILE  80   7.335   0.586   0.586
  627    HA   ILE  80           HA       ILE  80  10.012   0.640   0.640
  628    HB   ILE  80           HB       ILE  80   9.587   1.662   1.662
  629   1HG1  ILE  80          2HG1      ILE  80   8.050   2.690   2.690
  630   2HG1  ILE  80          1HG1      ILE  80   7.430   2.252   2.252
  631   1HG2  ILE  80          3HG2      ILE  80  11.536   1.985   1.985
  632   2HG2  ILE  80          2HG2      ILE  80  10.493   3.294   3.294
  633   3HG2  ILE  80          1HG2      ILE  80  11.087   3.284   3.284
  634   1HD1  ILE  80          3HD1      ILE  80   9.130   4.107   4.107
  635   2HD1  ILE  80          2HD1      ILE  80   8.898   4.708   4.708
  636   3HD1  ILE  80          1HD1      ILE  80   7.514   4.535   4.535
  637    H    THR  81           H        THR  81   8.960  -0.112  -0.112
  638    HA   THR  81           HA       THR  81  11.206  -1.406  -1.406
  639    HB   THR  81           HB       THR  81   8.284  -2.152  -2.152
  640    HG1  THR  81           HG1      THR  81   8.333  -0.198  -0.198
  641   1HG2  THR  81          3HG2      THR  81   9.903  -3.874  -3.874
  642   2HG2  THR  81          2HG2      THR  81  10.615  -2.644  -2.644
  643   3HG2  THR  81          1HG2      THR  81   8.942  -3.147  -3.147
  644    H    THR  82           H        THR  82   8.873  -2.607  -2.607
  645    HA   THR  82           HA       THR  82   9.663  -5.391  -5.391
  646    HB   THR  82           HB       THR  82   8.587  -5.213  -5.213
  647    HG1  THR  82           HG1      THR  82   8.192  -3.229  -3.229
  648   1HG2  THR  82          1HG2      THR  82   7.096  -4.619  -4.619
  649   2HG2  THR  82          3HG2      THR  82   6.336  -5.156  -5.156
  650   3HG2  THR  82          2HG2      THR  82   7.463  -6.217  -6.217
  651    H    ALA  83           H        ALA  83  10.399  -2.868  -2.868
  652    HA   ALA  83           HA       ALA  83  12.549  -4.469  -4.469
  653   1HB   ALA  83          1HB       ALA  83  11.616  -1.595  -1.595
  654   2HB   ALA  83          3HB       ALA  83  12.885  -2.311  -2.311
  655   3HB   ALA  83          2HB       ALA  83  11.241  -2.941  -2.941
  656    H    CYS  84           H        CYS  84  12.194  -2.039  -2.039
  657    HA   CYS  84           HA       CYS  84  14.821  -0.996  -0.996
  658   1HB   CYS  84          2HB       CYS  84  13.034   0.015   0.015
  659   2HB   CYS  84          1HB       CYS  84  12.483  -1.527  -1.527
  660    HG   CYS  84           HG       CYS  84  14.961  -1.388  -1.388
  661    H    HIS  85           H        HIS  85  13.744  -4.211  -4.211
  662    HA   HIS  85           HA       HIS  85  14.974  -6.106  -6.106
  663   1HB   HIS  85          2HB       HIS  85  16.888  -4.219  -4.219
  664   2HB   HIS  85          1HB       HIS  85  17.236  -4.541  -4.541
  665    HD1  HIS  85           HD1      HIS  85  17.654  -7.113  -7.113
  666    HD2  HIS  85           HD2      HIS  85  17.657  -6.264  -6.264
  667    HE1  HIS  85           HE1      HIS  85  18.710  -9.109  -9.109
  668    H    GLU  86           H        GLU  86  13.838  -3.536  -3.536
  669    HA   GLU  86           HA       GLU  86  14.730  -4.290  -4.290
  670   1HB   GLU  86          2HB       GLU  86  12.930  -2.352  -2.352
  671   2HB   GLU  86          1HB       GLU  86  12.447  -2.808  -2.808
  672   1HG   GLU  86          2HG       GLU  86  14.709  -2.242  -2.242
  673   2HG   GLU  86          1HG       GLU  86  15.175  -1.764  -1.764
  674    H    PHE  87           H        PHE  87  11.639  -4.603  -4.603
  675    HA   PHE  87           HA       PHE  87  10.212  -6.125  -6.125
  676   1HB   PHE  87          2HB       PHE  87  10.136  -5.553  -5.553
  677   2HB   PHE  87          1HB       PHE  87   9.647  -7.212  -7.212
  678    HD1  PHE  87           HD2      PHE  87   7.947  -7.291  -7.291
  679    HD2  PHE  87           HD1      PHE  87   8.429  -4.083  -4.083
  680    HE1  PHE  87           HE2      PHE  87   5.713  -6.429  -6.429
  681    HE2  PHE  87           HE1      PHE  87   6.173  -3.254  -3.254
  682    HZ   PHE  87           HZ       PHE  87   4.817  -4.423  -4.423
  683    H    PHE  88           H        PHE  88  10.928  -7.949  -7.949
  684    HA   PHE  88           HA       PHE  88  11.718 -10.128 -10.128
  685   1HB   PHE  88          2HB       PHE  88  11.483  -9.983  -9.983
  686   2HB   PHE  88          1HB       PHE  88  11.755 -11.458 -11.458
  687    HD1  PHE  88           HD1      PHE  88   9.424  -8.484  -8.484
  688    HD2  PHE  88           HD2      PHE  88   9.896 -12.747 -12.747
  689    HE1  PHE  88           HE1      PHE  88   7.006  -8.712  -8.712
  690    HE2  PHE  88           HE2      PHE  88   7.475 -13.021 -13.021
  691    HZ   PHE  88           HZ       PHE  88   6.027 -11.040 -11.040
  692    H    GLU  89           H        GLU  89  13.851 -10.393 -10.393
  693    HA   GLU  89           HA       GLU  89  16.087  -8.984  -8.984
  694   1HB   GLU  89          2HB       GLU  89  15.669 -10.609 -10.609
  695   2HB   GLU  89          1HB       GLU  89  16.277 -11.843 -11.843
  696   1HG   GLU  89          2HG       GLU  89  18.288 -10.353 -10.353
  697   2HG   GLU  89          1HG       GLU  89  17.709  -9.341  -9.341
  698    H    HIS  90           H        HIS  90  14.943 -12.220 -12.220
  699    HA   HIS  90           HA       HIS  90  16.501 -11.874 -11.874
  700   1HB   HIS  90          2HB       HIS  90  17.056 -14.278 -14.278
  701   2HB   HIS  90          1HB       HIS  90  17.624 -13.398 -13.398
  702    HD1  HIS  90           HD1      HIS  90  15.272 -16.060 -16.060
  703    HD2  HIS  90           HD2      HIS  90  15.996 -13.821 -13.821
  704    HE1  HIS  90           HE1      HIS  90  14.032 -17.217 -17.217
  705    H    GLU  91           H        GLU  91  13.731 -11.243 -11.243
  706    HA   GLU  91           HA       GLU  91  11.623 -11.718 -11.718
  707   1HB   GLU  91          2HB       GLU  91  13.564 -11.999 -11.999
  708   2HB   GLU  91          1HB       GLU  91  12.949 -13.652 -13.652
  709   1HG   GLU  91          2HG       GLU  91  10.696 -11.910 -11.910
  710   2HG   GLU  91          1HG       GLU  91  11.797 -11.333 -11.333
  711   1H    MET   0          3H        MET   0   7.414   9.351   9.351
  712   2H    MET   0          2H        MET   0   6.887  10.966  10.966
  713   3H    MET   0          1H        MET   0   6.006   9.792   9.792
  714    HA   MET   0           HA       MET   0   7.188  10.937  10.937
  715   1HB   MET   0          2HB       MET   0   8.857  11.380  11.380
  716   2HB   MET   0          1HB       MET   0   9.870  10.739  10.739
  717   1HG   MET   0          2HG       MET   0   8.507  12.481  12.481
  718   2HG   MET   0          1HG       MET   0   8.292  13.279  13.279
  719   1HE   MET   0          2HE       MET   0  10.468  12.279  12.279
  720   2HE   MET   0          1HE       MET   0  12.138  12.546  12.546
  721   3HE   MET   0          3HE       MET   0  11.221  11.184  11.184
  722    H    SER   1           H        SER   1   9.468   8.721   8.721
  723    HA   SER   1           HA       SER   1   9.914   7.212   7.212
  724   1HB   SER   1          2HB       SER   1  11.122   7.638   7.638
  725   2HB   SER   1          1HB       SER   1  10.929   5.906   5.906
  726    HG   SER   1           HG       SER   1  12.868   6.587   6.587
  727    H    GLU   2           H        GLU   2   7.439   7.175   7.175
  728    HA   GLU   2           HA       GLU   2   6.909   4.560   4.560
  729   1HB   GLU   2          2HB       GLU   2   5.360   6.951   6.951
  730   2HB   GLU   2          1HB       GLU   2   4.458   5.435   5.435
  731   1HG   GLU   2          2HG       GLU   2   6.126   5.748   5.748
  732   2HG   GLU   2          1HG       GLU   2   4.841   6.947   6.947
  733    H    LEU   3           H        LEU   3   6.941   5.868   5.868
  734    HA   LEU   3           HA       LEU   3   5.515   3.631   3.631
  735   1HB   LEU   3          2HB       LEU   3   6.917   6.141   6.141
  736   2HB   LEU   3          1HB       LEU   3   6.735   4.903   4.903
  737    HG   LEU   3           HG       LEU   3   4.379   4.936   4.936
  738   1HD1  LEU   3          1HD1      LEU   3   4.746   6.493   6.493
  739   2HD1  LEU   3          3HD1      LEU   3   3.186   6.182   6.182
  740   3HD1  LEU   3          2HD1      LEU   3   4.152   4.840   4.840
  741   1HD2  LEU   3          1HD2      LEU   3   5.375   6.972   6.972
  742   2HD2  LEU   3          3HD2      LEU   3   3.791   7.282   7.282
  743   3HD2  LEU   3          2HD2      LEU   3   5.249   7.802   7.802
  744    H    GLU   4           H        GLU   4   8.917   4.771   4.771
  745    HA   GLU   4           HA       GLU   4   9.893   2.414   2.414
  746   1HB   GLU   4          2HB       GLU   4  11.210   4.428   4.428
  747   2HB   GLU   4          1HB       GLU   4  11.162   4.499   4.499
  748   1HG   GLU   4          2HG       GLU   4  12.228   1.957   1.957
  749   2HG   GLU   4          1HG       GLU   4  13.156   3.309   3.309
  750    H    LYS   5           H        LYS   5   9.269   3.218   3.218
  751    HA   LYS   5           HA       LYS   5  10.563   0.851   0.851
  752   1HB   LYS   5          2HB       LYS   5   8.477   2.713   2.713
  753   2HB   LYS   5          1HB       LYS   5   9.664   1.749   1.749
  754   1HG   LYS   5          2HG       LYS   5  10.648   3.736   3.736
  755   2HG   LYS   5          1HG       LYS   5  10.108   4.321   4.321
  756   1HD   LYS   5          2HD       LYS   5  11.941   1.966   1.966
  757   2HD   LYS   5          1HD       LYS   5  12.631   3.544   3.544
  758   1HE   LYS   5          2HE       LYS   5  12.113   4.423   4.423
  759   2HE   LYS   5          1HE       LYS   5  10.862   3.201   3.201
  760   1HZ   LYS   5          1HZ       LYS   5  13.533   2.198   2.198
  761   2HZ   LYS   5          3HZ       LYS   5  13.344   2.981   2.981
  762   3HZ   LYS   5          2HZ       LYS   5  12.376   1.639   1.639
  763    H    ALA   6           H        ALA   6   7.340   1.829   1.829
  764    HA   ALA   6           HA       ALA   6   5.980  -0.541  -0.541
  765   1HB   ALA   6          1HB       ALA   6   5.447   1.788   1.788
  766   2HB   ALA   6          3HB       ALA   6   4.390   0.383   0.383
  767   3HB   ALA   6          2HB       ALA   6   4.521   1.231   1.231
  768    H    VAL   7           H        VAL   7   7.677   0.477   0.477
  769    HA   VAL   7           HA       VAL   7   7.019  -1.566  -1.566
  770    HB   VAL   7           HB       VAL   7   9.129   0.435   0.435
  771   1HG1  VAL   7          2HG1      VAL   7   9.704  -2.073  -2.073
  772   2HG1  VAL   7          1HG1      VAL   7  10.315  -0.567  -0.567
  773   3HG1  VAL   7          3HG1      VAL   7  10.780  -1.039  -1.039
  774   1HG2  VAL   7          3HG2      VAL   7   7.506  -0.351  -0.351
  775   2HG2  VAL   7          2HG2      VAL   7   7.312   1.081   1.081
  776   3HG2  VAL   7          1HG2      VAL   7   8.725   0.922   0.922
  777    H    VAL   8           H        VAL   8   9.665  -1.362  -1.362
  778    HA   VAL   8           HA       VAL   8  10.737  -3.978  -3.978
  779    HB   VAL   8           HB       VAL   8  10.660  -1.919  -1.919
  780   1HG1  VAL   8          1HG1      VAL   8  11.418  -4.798  -4.798
  781   2HG1  VAL   8          3HG1      VAL   8  12.485  -3.614  -3.614
  782   3HG1  VAL   8          2HG1      VAL   8  10.787  -3.691  -3.691
  783   1HG2  VAL   8          3HG2      VAL   8  12.196  -2.122  -2.122
  784   2HG2  VAL   8          2HG2      VAL   8  12.821  -1.474  -1.474
  785   3HG2  VAL   8          1HG2      VAL   8  13.142  -3.151  -3.151
  786    H    ALA   9           H        ALA   9   8.074  -2.740  -2.740
  787    HA   ALA   9           HA       ALA   9   7.507  -5.178  -5.178
  788   1HB   ALA   9          2HB       ALA   9   6.825  -2.677  -2.677
  789   2HB   ALA   9          1HB       ALA   9   5.487  -3.059  -3.059
  790   3HB   ALA   9          3HB       ALA   9   5.672  -3.941  -3.941
  791    H    LEU  10           H        LEU  10   6.253  -3.794  -3.794
  792    HA   LEU  10           HA       LEU  10   4.145  -5.612  -5.612
  793   1HB   LEU  10          2HB       LEU  10   6.055  -5.041  -5.041
  794   2HB   LEU  10          1HB       LEU  10   4.293  -4.944  -4.944
  795    HG   LEU  10           HG       LEU  10   6.216  -2.938  -2.938
  796   1HD1  LEU  10          1HD1      LEU  10   4.093  -2.745  -2.745
  797   2HD1  LEU  10          3HD1      LEU  10   5.089  -1.406  -1.406
  798   3HD1  LEU  10          2HD1      LEU  10   5.835  -2.761  -2.761
  799   1HD2  LEU  10          1HD2      LEU  10   3.216  -3.234  -3.234
  800   2HD2  LEU  10          3HD2      LEU  10   4.406  -3.112  -3.112
  801   3HD2  LEU  10          2HD2      LEU  10   4.049  -1.705  -1.705
  802    H    ILE  11           H        ILE  11   7.499  -5.850  -5.850
  803    HA   ILE  11           HA       ILE  11   7.580  -8.355  -8.355
  804    HB   ILE  11           HB       ILE  11   9.808  -8.227  -8.227
  805   1HG1  ILE  11          2HG1      ILE  11  10.851  -7.495  -7.495
  806   2HG1  ILE  11          1HG1      ILE  11   9.242  -7.879  -7.879
  807   1HG2  ILE  11          2HG2      ILE  11   9.090  -5.583  -5.583
  808   2HG2  ILE  11          1HG2      ILE  11  10.696  -5.993  -5.993
  809   3HG2  ILE  11          3HG2      ILE  11   9.365  -5.896  -5.896
  810   1HD1  ILE  11          2HD1      ILE  11   9.807 -10.035 -10.035
  811   2HD1  ILE  11          1HD1      ILE  11  11.370  -9.683  -9.683
  812   3HD1  ILE  11          3HD1      ILE  11   9.970 -10.022 -10.022
  813    H    ASP  12           H        ASP  12   7.213  -7.581  -7.581
  814    HA   ASP  12           HA       ASP  12   7.366 -10.307 -10.307
  815   1HB   ASP  12          2HB       ASP  12   7.273  -7.723  -7.723
  816   2HB   ASP  12          1HB       ASP  12   5.649  -8.316  -8.316
  817    H    VAL  13           H        VAL  13   4.701  -8.024  -8.024
  818    HA   VAL  13           HA       VAL  13   2.563  -9.928  -9.928
  819    HB   VAL  13           HB       VAL  13   2.872  -7.241  -7.241
  820   1HG1  VAL  13          1HG1      VAL  13   0.888  -9.011  -9.011
  821   2HG1  VAL  13          3HG1      VAL  13   0.224  -8.218  -8.218
  822   3HG1  VAL  13          2HG1      VAL  13   0.641  -7.267  -7.267
  823   1HG2  VAL  13          2HG2      VAL  13   2.947  -7.860  -7.860
  824   2HG2  VAL  13          1HG2      VAL  13   2.505  -6.290  -6.290
  825   3HG2  VAL  13          3HG2      VAL  13   1.250  -7.458  -7.458
  826    H    PHE  14           H        PHE  14   3.900  -8.280  -8.280
  827    HA   PHE  14           HA       PHE  14   2.596  -9.900  -9.900
  828   1HB   PHE  14          2HB       PHE  14   4.756  -7.987  -7.987
  829   2HB   PHE  14          1HB       PHE  14   5.303  -9.469  -9.469
  830    HD1  PHE  14           HD1      PHE  14   4.016 -10.631 -10.631
  831    HD2  PHE  14           HD2      PHE  14   2.841  -6.758  -6.758
  832    HE1  PHE  14           HE1      PHE  14   2.369 -10.472 -10.472
  833    HE2  PHE  14           HE2      PHE  14   1.198  -6.569  -6.569
  834    HZ   PHE  14           HZ       PHE  14   0.969  -8.455  -8.455
  835    H    HIS  15           H        HIS  15   5.774 -10.595 -10.595
  836    HA   HIS  15           HA       HIS  15   6.496 -12.996 -12.996
  837   1HB   HIS  15          2HB       HIS  15   7.812 -12.167 -12.167
  838   2HB   HIS  15          1HB       HIS  15   6.427 -12.045 -12.045
  839    HD1  HIS  15           HD1      HIS  15   8.281 -14.830 -14.830
  840    HD2  HIS  15           HD2      HIS  15   6.319 -14.157 -14.157
  841    HE1  HIS  15           HE1      HIS  15   8.514 -16.961 -16.961
  842    H    GLN  16           H        GLN  16   4.050 -12.616 -12.616
  843    HA   GLN  16           HA       GLN  16   3.250 -15.428 -15.428
  844   1HB   GLN  16          2HB       GLN  16   3.041 -14.386 -14.386
  845   2HB   GLN  16          1HB       GLN  16   2.367 -12.909 -12.909
  846   1HG   GLN  16          2HG       GLN  16   0.329 -14.252 -14.252
  847   2HG   GLN  16          1HG       GLN  16   0.996 -15.594 -15.594
  848   1HE2  GLN  16          2HE2      GLN  16   0.618 -13.831 -13.831
  849   2HE2  GLN  16          1HE2      GLN  16   1.730 -14.826 -14.826
  850    H    TYR  17           H        TYR  17   2.135 -12.360 -12.360
  851    HA   TYR  17           HA       TYR  17  -0.358 -13.579 -13.579
  852   1HB   TYR  17          2HB       TYR  17   0.931 -10.892 -10.892
  853   2HB   TYR  17          1HB       TYR  17  -0.413 -11.144 -11.144
  854    HD1  TYR  17           HD1      TYR  17   0.617 -11.147 -11.147
  855    HD2  TYR  17           HD2      TYR  17  -2.645 -11.704 -11.704
  856    HE1  TYR  17           HE1      TYR  17  -0.994 -11.029 -11.029
  857    HE2  TYR  17           HE2      TYR  17  -4.254 -11.597 -11.597
  858    HH   TYR  17           HH       TYR  17  -3.727 -12.136 -12.136
  859    H    SER  18           H        SER  18   2.641 -12.362 -12.362
  860    HA   SER  18           HA       SER  18   1.708 -12.840 -12.840
  861   1HB   SER  18          2HB       SER  18   4.352 -13.536 -13.536
  862   2HB   SER  18          1HB       SER  18   3.772 -11.866 -11.866
  863    HG   SER  18           HG       SER  18   4.699 -13.419 -13.419
  864    H    GLY  19           H        GLY  19   2.470 -15.021 -15.021
  865   1HA   GLY  19          2HA       GLY  19   1.334 -17.304 -17.304
  866   2HA   GLY  19          1HA       GLY  19   2.981 -17.344 -17.344
  867    H    ARG  20           H        ARG  20   1.509 -16.534 -16.534
  868    HA   ARG  20           HA       ARG  20   3.632 -17.237 -17.237
  869   1HB   ARG  20          2HB       ARG  20   1.748 -18.033 -18.033
  870   2HB   ARG  20          1HB       ARG  20   1.651 -16.375 -16.375
  871   1HG   ARG  20          2HG       ARG  20   0.296 -17.758 -17.758
  872   2HG   ARG  20          1HG       ARG  20  -0.128 -18.668 -18.668
  873   1HD   ARG  20          2HD       ARG  20  -0.349 -15.976 -15.976
  874   2HD   ARG  20          1HD       ARG  20  -1.084 -16.053 -16.053
  875    HE   ARG  20           HE       ARG  20  -2.793 -17.387 -17.387
  876   1HH1  ARG  20          2HH1      ARG  20  -2.253 -19.777 -19.777
  877   2HH1  ARG  20          1HH1      ARG  20  -1.941 -19.724 -19.724
  878   1HH2  ARG  20          1HH2      ARG  20  -1.405 -16.297 -16.297
  879   2HH2  ARG  20          2HH2      ARG  20  -1.462 -17.751 -17.751
  880    H    GLU  21           H        GLU  21   1.296 -19.433 -19.433
  881    HA   GLU  21           HA       GLU  21   3.227 -21.668 -21.668
  882   1HB   GLU  21          2HB       GLU  21   1.398 -21.261 -21.261
  883   2HB   GLU  21          1HB       GLU  21   0.402 -22.178 -22.178
  884   1HG   GLU  21          2HG       GLU  21   1.330 -23.939 -23.939
  885   2HG   GLU  21          1HG       GLU  21   2.578 -23.731 -23.731
  886    H    GLY  22           H        GLY  22   1.425 -19.978 -19.978
  887   1HA   GLY  22          2HA       GLY  22   0.546 -22.386 -22.386
  888   2HA   GLY  22          1HA       GLY  22  -0.318 -20.851 -20.851
  889    H    ASP  23           H        ASP  23   0.385 -19.274 -19.274
  890    HA   ASP  23           HA       ASP  23   2.117 -20.028 -20.028
  891   1HB   ASP  23          2HB       ASP  23   0.727 -17.551 -17.551
  892   2HB   ASP  23          1HB       ASP  23   1.862 -17.429 -17.429
  893    H    LYS  24           H        LYS  24   3.716 -17.832 -17.832
  894    HA   LYS  24           HA       LYS  24   5.771 -18.050 -18.050
  895   1HB   LYS  24          2HB       LYS  24   5.757 -17.829 -17.829
  896   2HB   LYS  24          1HB       LYS  24   7.136 -17.155 -17.155
  897   1HG   LYS  24          2HG       LYS  24   7.474 -19.324 -19.324
  898   2HG   LYS  24          1HG       LYS  24   6.109 -19.998 -19.998
  899   1HD   LYS  24          2HD       LYS  24   7.670 -18.882 -18.882
  900   2HD   LYS  24          1HD       LYS  24   8.862 -19.548 -19.548
  901   1HE   LYS  24          2HE       LYS  24   8.187 -21.727 -21.727
  902   2HE   LYS  24          1HE       LYS  24   6.501 -21.262 -21.262
  903   1HZ   LYS  24          2HZ       LYS  24   8.725 -20.495 -20.495
  904   2HZ   LYS  24          1HZ       LYS  24   7.811 -21.909 -21.909
  905   3HZ   LYS  24          3HZ       LYS  24   7.056 -20.392 -20.392
  906    H    HIS  25           H        HIS  25   5.614 -15.649 -15.649
  907    HA   HIS  25           HA       HIS  25   5.455 -13.508 -13.508
  908   1HB   HIS  25          2HB       HIS  25   7.589 -13.478 -13.478
  909   2HB   HIS  25          1HB       HIS  25   6.950 -13.851 -13.851
  910    HD1  HIS  25           HD1      HIS  25   8.335 -11.669 -11.669
  911    HD2  HIS  25           HD2      HIS  25   5.066 -10.961 -10.961
  912    HE1  HIS  25           HE1      HIS  25   7.833  -9.193  -9.193
  913    H    LYS  26           H        LYS  26   3.013 -14.306 -14.306
  914    HA   LYS  26           HA       LYS  26   1.950 -12.064 -12.064
  915   1HB   LYS  26          2HB       LYS  26   1.916 -14.953 -14.953
  916   2HB   LYS  26          1HB       LYS  26   0.522 -13.951 -13.951
  917   1HG   LYS  26          2HG       LYS  26   1.660 -13.110 -13.110
  918   2HG   LYS  26          1HG       LYS  26   2.846 -12.440 -12.440
  919   1HD   LYS  26          2HD       LYS  26   3.335 -15.234 -15.234
  920   2HD   LYS  26          1HD       LYS  26   3.153 -14.631 -14.631
  921   1HE   LYS  26          2HE       LYS  26   5.175 -13.803 -13.803
  922   2HE   LYS  26          1HE       LYS  26   5.455 -14.303 -14.303
  923   1HZ   LYS  26          3HZ       LYS  26   3.818 -12.264 -12.264
  924   2HZ   LYS  26          2HZ       LYS  26   4.561 -11.730 -11.730
  925   3HZ   LYS  26          1HZ       LYS  26   5.503 -12.082 -12.082
  926    H    LEU  27           H        LEU  27  -0.533 -12.126 -12.126
  927    HA   LEU  27           HA       LEU  27  -1.442 -13.490 -13.490
  928   1HB   LEU  27          2HB       LEU  27  -1.065 -10.710 -10.710
  929   2HB   LEU  27          1HB       LEU  27  -2.803 -11.002 -11.002
  930    HG   LEU  27           HG       LEU  27  -1.435 -12.521 -12.521
  931   1HD1  LEU  27          2HD1      LEU  27  -0.382  -9.829  -9.829
  932   2HD1  LEU  27          1HD1      LEU  27  -0.947 -10.050 -10.050
  933   3HD1  LEU  27          3HD1      LEU  27   0.286 -11.123 -11.123
  934   1HD2  LEU  27          3HD2      LEU  27  -3.835 -11.318 -11.318
  935   2HD2  LEU  27          2HD2      LEU  27  -3.172 -11.744 -11.744
  936   3HD2  LEU  27          1HD2      LEU  27  -3.019 -10.094 -10.094
  937    H    LYS  28           H        LYS  28  -3.254 -14.667 -14.667
  938    HA   LYS  28           HA       LYS  28  -4.616 -14.496 -14.496
  939   1HB   LYS  28          2HB       LYS  28  -5.011 -16.291 -16.291
  940   2HB   LYS  28          1HB       LYS  28  -5.647 -16.579 -16.579
  941   1HG   LYS  28          2HG       LYS  28  -3.663 -17.369 -17.369
  942   2HG   LYS  28          1HG       LYS  28  -2.750 -16.091 -16.091
  943   1HD   LYS  28          2HD       LYS  28  -2.032 -17.912 -17.912
  944   2HD   LYS  28          1HD       LYS  28  -3.449 -17.454 -17.454
  945   1HE   LYS  28          2HE       LYS  28  -4.332 -19.149 -19.149
  946   2HE   LYS  28          1HE       LYS  28  -2.973 -19.943 -19.943
  947   1HZ   LYS  28          2HZ       LYS  28  -5.203 -18.630 -18.630
  948   2HZ   LYS  28          1HZ       LYS  28  -5.196 -20.288 -20.288
  949   3HZ   LYS  28          3HZ       LYS  28  -4.001 -19.645 -19.645
  950    H    LYS  29           H        LYS  29  -6.703 -13.737 -13.737
  951    HA   LYS  29           HA       LYS  29  -7.960 -11.807 -11.807
  952   1HB   LYS  29          2HB       LYS  29  -9.239 -14.256 -14.256
  953   2HB   LYS  29          1HB       LYS  29 -10.093 -12.757 -12.757
  954   1HG   LYS  29          2HG       LYS  29  -7.588 -12.507 -12.507
  955   2HG   LYS  29          1HG       LYS  29  -8.973 -13.232 -13.232
  956   1HD   LYS  29          2HD       LYS  29  -9.205 -10.652 -10.652
  957   2HD   LYS  29          1HD       LYS  29  -8.752 -10.679 -10.679
  958   1HE   LYS  29          2HE       LYS  29 -11.053 -12.387 -12.387
  959   2HE   LYS  29          1HE       LYS  29 -11.376 -10.751 -10.751
  960   1HZ   LYS  29          3HZ       LYS  29 -10.305  -9.943  -9.943
  961   2HZ   LYS  29          2HZ       LYS  29 -10.427 -11.535 -11.535
  962   3HZ   LYS  29          1HZ       LYS  29 -11.829 -10.664 -10.664
  963    H    SER  30           H        SER  30  -7.900 -15.240 -15.240
  964    HA   SER  30           HA       SER  30  -9.811 -15.005 -15.005
  965   1HB   SER  30          2HB       SER  30  -9.645 -17.171 -17.171
  966   2HB   SER  30          1HB       SER  30  -7.929 -17.013 -17.013
  967    HG   SER  30           HG       SER  30  -9.005 -17.088 -17.088
  968    H    GLU  31           H        GLU  31  -6.244 -15.147 -15.147
  969    HA   GLU  31           HA       GLU  31  -5.650 -15.056 -15.056
  970   1HB   GLU  31          2HB       GLU  31  -4.314 -14.329 -14.329
  971   2HB   GLU  31          1HB       GLU  31  -3.560 -13.780 -13.780
  972   1HG   GLU  31          2HG       GLU  31  -3.915 -16.261 -16.261
  973   2HG   GLU  31          1HG       GLU  31  -4.042 -16.592 -16.592
  974    H    LEU  32           H        LEU  32  -6.091 -12.473 -12.473
  975    HA   LEU  32           HA       LEU  32  -5.595 -10.206 -10.206
  976   1HB   LEU  32          2HB       LEU  32  -6.366 -10.669 -10.669
  977   2HB   LEU  32          1HB       LEU  32  -7.952 -10.280 -10.280
  978    HG   LEU  32           HG       LEU  32  -7.153  -8.127  -8.127
  979   1HD1  LEU  32          1HD1      LEU  32  -4.501  -9.306  -9.306
  980   2HD1  LEU  32          3HD1      LEU  32  -4.709  -7.561  -7.561
  981   3HD1  LEU  32          2HD1      LEU  32  -4.950  -8.340  -8.340
  982   1HD2  LEU  32          2HD2      LEU  32  -7.188  -8.924  -8.924
  983   2HD2  LEU  32          1HD2      LEU  32  -7.584  -7.346  -7.346
  984   3HD2  LEU  32          3HD2      LEU  32  -5.925  -7.711  -7.711
  985    H    LYS  33           H        LYS  33  -8.740 -11.877 -11.877
  986    HA   LYS  33           HA       LYS  33 -10.393 -10.439 -10.439
  987   1HB   LYS  33          2HB       LYS  33 -10.397 -12.892 -12.892
  988   2HB   LYS  33          1HB       LYS  33 -10.564 -13.346 -13.346
  989   1HG   LYS  33          2HG       LYS  33 -12.264 -11.207 -11.207
  990   2HG   LYS  33          1HG       LYS  33 -12.752 -12.901 -12.901
  991   1HD   LYS  33          2HD       LYS  33 -13.315 -12.727 -12.727
  992   2HD   LYS  33          1HD       LYS  33 -11.817 -11.881 -11.881
  993   1HE   LYS  33          2HE       LYS  33 -12.943  -9.921  -9.921
  994   2HE   LYS  33          1HE       LYS  33 -13.496 -10.134 -10.134
  995   1HZ   LYS  33          3HZ       LYS  33 -14.699 -11.532 -11.532
  996   2HZ   LYS  33          2HZ       LYS  33 -15.328 -10.098 -10.098
  997   3HZ   LYS  33          1HZ       LYS  33 -15.275 -11.517 -11.517
  998    H    GLU  34           H        GLU  34  -8.364 -13.224 -13.224
  999    HA   GLU  34           HA       GLU  34  -8.748 -13.106 -13.106
 1000   1HB   GLU  34          2HB       GLU  34  -6.858 -14.152 -14.152
 1001   2HB   GLU  34          1HB       GLU  34  -5.996 -13.585 -13.585
 1002   1HG   GLU  34          2HG       GLU  34  -6.605 -15.499 -15.499
 1003   2HG   GLU  34          1HG       GLU  34  -8.270 -14.916 -14.916
 1004    H    LEU  35           H        LEU  35  -6.153 -11.480 -11.480
 1005    HA   LEU  35           HA       LEU  35  -4.883  -9.981  -9.981
 1006   1HB   LEU  35          2HB       LEU  35  -4.785 -10.113 -10.113
 1007   2HB   LEU  35          1HB       LEU  35  -5.812  -8.682  -8.682
 1008    HG   LEU  35           HG       LEU  35  -3.584  -8.487  -8.487
 1009   1HD1  LEU  35          3HD1      LEU  35  -2.989  -9.725  -9.725
 1010   2HD1  LEU  35          2HD1      LEU  35  -2.364  -8.075  -8.075
 1011   3HD1  LEU  35          1HD1      LEU  35  -1.855  -9.168  -9.168
 1012   1HD2  LEU  35          1HD2      LEU  35  -5.022  -6.623  -6.623
 1013   2HD2  LEU  35          3HD2      LEU  35  -3.321  -6.328  -6.328
 1014   3HD2  LEU  35          2HD2      LEU  35  -4.408  -6.861  -6.861
 1015    H    ILE  36           H        ILE  36  -8.126  -9.373  -9.373
 1016    HA   ILE  36           HA       ILE  36  -8.386  -6.819  -6.819
 1017    HB   ILE  36           HB       ILE  36 -10.552  -8.446  -8.446
 1018   1HG1  ILE  36          2HG1      ILE  36  -8.842  -8.532  -8.532
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.821  -7.140  -7.140
 1020   1HG2  ILE  36          1HG2      ILE  36 -10.829  -6.171  -6.171
 1021   2HG2  ILE  36          3HG2      ILE  36 -10.104  -5.491  -5.491
 1022   3HG2  ILE  36          2HG2      ILE  36 -11.614  -6.398  -6.398
 1023   1HD1  ILE  36          3HD1      ILE  36  -8.190  -5.742  -5.742
 1024   2HD1  ILE  36          2HD1      ILE  36  -7.143  -7.160  -7.160
 1025   3HD1  ILE  36          1HD1      ILE  36  -7.579  -6.370  -6.370
 1026    H    ASN  37           H        ASN  37  -9.964 -10.044 -10.044
 1027    HA   ASN  37           HA       ASN  37 -11.481  -9.354  -9.354
 1028   1HB   ASN  37          2HB       ASN  37 -12.440 -11.366 -11.366
 1029   2HB   ASN  37          1HB       ASN  37 -11.480 -11.315 -11.315
 1030   1HD2  ASN  37          2HD2      ASN  37  -9.838 -14.286 -14.286
 1031   2HD2  ASN  37          1HD2      ASN  37 -10.529 -13.330 -13.330
 1032    H    ASN  38           H        ASN  38  -8.235 -10.585 -10.585
 1033    HA   ASN  38           HA       ASN  38  -7.895 -11.509 -11.509
 1034   1HB   ASN  38          2HB       ASN  38  -6.395 -11.372 -11.372
 1035   2HB   ASN  38          1HB       ASN  38  -5.394 -11.243 -11.243
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.897 -14.886 -14.886
 1037   2HD2  ASN  38          1HD2      ASN  38  -5.261 -13.567 -13.567
 1038    H    GLU  39           H        GLU  39  -7.971  -8.483  -8.483
 1039    HA   GLU  39           HA       GLU  39  -6.387  -7.238  -7.238
 1040   1HB   GLU  39          2HB       GLU  39  -6.446  -6.754  -6.754
 1041   2HB   GLU  39          1HB       GLU  39  -5.874  -5.517  -5.517
 1042   1HG   GLU  39          2HG       GLU  39  -3.896  -6.564  -6.564
 1043   2HG   GLU  39          1HG       GLU  39  -4.705  -8.073  -8.073
 1044    H    LEU  40           H        LEU  40  -8.858  -6.640  -6.640
 1045    HA   LEU  40           HA       LEU  40 -10.000  -4.414  -4.414
 1046   1HB   LEU  40          2HB       LEU  40 -10.388  -5.577  -5.577
 1047   2HB   LEU  40          1HB       LEU  40 -11.502  -4.372  -4.372
 1048    HG   LEU  40           HG       LEU  40  -8.641  -3.716  -3.716
 1049   1HD1  LEU  40          3HD1      LEU  40  -9.908  -4.164  -4.164
 1050   2HD1  LEU  40          2HD1      LEU  40  -8.766  -2.835  -2.835
 1051   3HD1  LEU  40          1HD1      LEU  40  -8.256  -4.493  -4.493
 1052   1HD2  LEU  40          1HD2      LEU  40 -11.229  -2.365  -2.365
 1053   2HD2  LEU  40          3HD2      LEU  40 -10.076  -1.977  -1.977
 1054   3HD2  LEU  40          2HD2      LEU  40  -9.710  -1.560  -1.560
 1055    H    SER  41           H        SER  41 -10.477  -6.350  -6.350
 1056    HA   SER  41           HA       SER  41 -12.306  -8.374  -8.374
 1057   1HB   SER  41          2HB       SER  41 -11.852  -6.262  -6.262
 1058   2HB   SER  41          1HB       SER  41 -13.106  -7.474  -7.474
 1059    HG   SER  41           HG       SER  41 -11.193  -8.921  -8.921
 1060    H    HIS  42           H        HIS  42 -13.066  -4.906  -4.906
 1061    HA   HIS  42           HA       HIS  42 -15.866  -4.978  -4.978
 1062   1HB   HIS  42          2HB       HIS  42 -14.009  -3.285  -3.285
 1063   2HB   HIS  42          1HB       HIS  42 -15.720  -2.910  -2.910
 1064    HD1  HIS  42           HD1      HIS  42 -15.733  -0.978  -0.978
 1065    HD2  HIS  42           HD2      HIS  42 -13.156  -4.007  -4.007
 1066    HE1  HIS  42           HE1      HIS  42 -14.902  -0.311  -0.311
 1067    H    PHE  43           H        PHE  43 -13.907  -5.471  -5.471
 1068    HA   PHE  43           HA       PHE  43 -16.281  -5.892  -5.892
 1069   1HB   PHE  43          2HB       PHE  43 -13.311  -6.316  -6.316
 1070   2HB   PHE  43          1HB       PHE  43 -14.528  -6.453  -6.453
 1071    HD1  PHE  43           HD2      PHE  43 -16.117  -4.102  -4.102
 1072    HD2  PHE  43           HD1      PHE  43 -12.371  -4.513  -4.513
 1073    HE1  PHE  43           HE2      PHE  43 -16.025  -1.652  -1.652
 1074    HE2  PHE  43           HE1      PHE  43 -12.278  -2.049  -2.049
 1075    HZ   PHE  43           HZ       PHE  43 -14.123  -0.633  -0.633
 1076    H    LEU  44           H        LEU  44 -14.577  -7.850  -7.850
 1077    HA   LEU  44           HA       LEU  44 -14.598 -10.419 -10.419
 1078   1HB   LEU  44          2HB       LEU  44 -14.063  -9.398  -9.398
 1079   2HB   LEU  44          1HB       LEU  44 -15.676 -10.016 -10.016
 1080    HG   LEU  44           HG       LEU  44 -14.700 -12.171 -12.171
 1081   1HD1  LEU  44          2HD1      LEU  44 -12.458 -10.502 -10.502
 1082   2HD1  LEU  44          1HD1      LEU  44 -12.219 -11.667 -11.667
 1083   3HD1  LEU  44          3HD1      LEU  44 -12.453 -12.231 -12.231
 1084   1HD2  LEU  44          3HD2      LEU  44 -15.450 -11.643 -11.643
 1085   2HD2  LEU  44          2HD2      LEU  44 -14.606 -13.139 -13.139
 1086   3HD2  LEU  44          1HD2      LEU  44 -13.718 -11.783 -11.783
 1087    H    GLU  45           H        GLU  45 -17.122  -8.365  -8.365
 1088    HA   GLU  45           HA       GLU  45 -19.294 -10.309 -10.309
 1089   1HB   GLU  45          2HB       GLU  45 -18.767  -7.813  -7.813
 1090   2HB   GLU  45          1HB       GLU  45 -20.346  -7.829  -7.829
 1091   1HG   GLU  45          2HG       GLU  45 -20.393  -8.769  -8.769
 1092   2HG   GLU  45          1HG       GLU  45 -20.938  -9.913  -9.913
 1093    H    GLU  46           H        GLU  46 -17.772  -7.467  -7.467
 1094    HA   GLU  46           HA       GLU  46 -17.933  -6.454  -6.454
 1095   1HB   GLU  46          2HB       GLU  46 -18.133  -8.959  -8.959
 1096   2HB   GLU  46          1HB       GLU  46 -19.873  -8.687  -8.687
 1097   1HG   GLU  46          2HG       GLU  46 -19.713  -7.485  -7.485
 1098   2HG   GLU  46          1HG       GLU  46 -18.143  -6.804  -6.804
 1099    H    ILE  47           H        ILE  47 -20.376  -6.651  -6.651
 1100    HA   ILE  47           HA       ILE  47 -22.512  -5.411  -5.411
 1101    HB   ILE  47           HB       ILE  47 -22.713  -7.129  -7.129
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.609  -5.758  -5.758
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.737  -6.098  -6.098
 1104   1HG2  ILE  47          2HG2      ILE  47 -22.091  -4.645  -4.645
 1105   2HG2  ILE  47          1HG2      ILE  47 -22.635  -6.189  -6.189
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.065  -6.074  -6.074
 1107   1HD1  ILE  47          1HD1      ILE  47 -23.344  -3.791  -3.791
 1108   2HD1  ILE  47          3HD1      ILE  47 -24.222  -3.518  -3.518
 1109   3HD1  ILE  47          2HD1      ILE  47 -25.107  -3.835  -3.835
 1110    H    LYS  48           H        LYS  48 -20.150  -4.558  -4.558
 1111    HA   LYS  48           HA       LYS  48 -20.986  -1.923  -1.923
 1112   1HB   LYS  48          2HB       LYS  48 -18.532  -3.587  -3.587
 1113   2HB   LYS  48          1HB       LYS  48 -18.252  -1.847  -1.847
 1114   1HG   LYS  48          2HG       LYS  48 -18.525  -2.379  -2.379
 1115   2HG   LYS  48          1HG       LYS  48 -20.129  -1.813  -1.813
 1116   1HD   LYS  48          2HD       LYS  48 -20.644  -3.803  -3.803
 1117   2HD   LYS  48          1HD       LYS  48 -20.542  -4.347  -4.347
 1118   1HE   LYS  48          2HE       LYS  48 -18.814  -5.719  -5.719
 1119   2HE   LYS  48          1HE       LYS  48 -17.915  -4.385  -4.385
 1120   1HZ   LYS  48          1HZ       LYS  48 -20.259  -5.388  -5.388
 1121   2HZ   LYS  48          3HZ       LYS  48 -18.887  -6.385  -6.385
 1122   3HZ   LYS  48          2HZ       LYS  48 -18.786  -4.806  -4.806
 1123    H    GLU  49           H        GLU  49 -19.718  -3.205  -3.205
 1124    HA   GLU  49           HA       GLU  49 -19.200  -0.424  -0.424
 1125   1HB   GLU  49          2HB       GLU  49 -17.626  -1.782  -1.782
 1126   2HB   GLU  49          1HB       GLU  49 -17.108  -1.502  -1.502
 1127   1HG   GLU  49          2HG       GLU  49 -17.512  -3.705  -3.705
 1128   2HG   GLU  49          1HG       GLU  49 -18.715  -3.956  -3.956
 1129    H    GLN  50           H        GLN  50 -21.624  -0.629  -0.629
 1130    HA   GLN  50           HA       GLN  50 -22.516  -2.536  -2.536
 1131   1HB   GLN  50          2HB       GLN  50 -23.469   0.195   0.195
 1132   2HB   GLN  50          1HB       GLN  50 -24.387  -0.825  -0.825
 1133   1HG   GLN  50          2HG       GLN  50 -24.294  -2.656  -2.656
 1134   2HG   GLN  50          1HG       GLN  50 -23.582  -1.487  -1.487
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.556  -1.186  -1.186
 1136   2HE2  GLN  50          1HE2      GLN  50 -26.539  -2.180  -2.180
 1137    H    GLU  51           H        GLU  51 -22.614   0.941   0.941
 1138    HA   GLU  51           HA       GLU  51 -22.314   0.825   0.825
 1139   1HB   GLU  51          2HB       GLU  51 -22.897   2.820   2.820
 1140   2HB   GLU  51          1HB       GLU  51 -21.239   2.900   2.900
 1141   1HG   GLU  51          2HG       GLU  51 -20.517   2.990   2.990
 1142   2HG   GLU  51          1HG       GLU  51 -22.212   3.310   3.310
 1143    H    VAL  52           H        VAL  52 -19.792   0.574   0.574
 1144    HA   VAL  52           HA       VAL  52 -17.598   0.886   0.886
 1145    HB   VAL  52           HB       VAL  52 -17.709  -0.263  -0.263
 1146   1HG1  VAL  52          2HG1      VAL  52 -15.509   0.351   0.351
 1147   2HG1  VAL  52          1HG1      VAL  52 -15.236   0.765   0.765
 1148   3HG1  VAL  52          3HG1      VAL  52 -15.599  -0.900  -0.900
 1149   1HG2  VAL  52          2HG2      VAL  52 -18.546   2.112   2.112
 1150   2HG2  VAL  52          1HG2      VAL  52 -17.161   1.951   1.951
 1151   3HG2  VAL  52          3HG2      VAL  52 -16.929   2.522   2.522
 1152    H    VAL  53           H        VAL  53 -19.315  -1.830  -1.830
 1153    HA   VAL  53           HA       VAL  53 -17.751  -3.997  -3.997
 1154    HB   VAL  53           HB       VAL  53 -20.633  -3.455  -3.455
 1155   1HG1  VAL  53          1HG1      VAL  53 -19.690  -5.893  -5.893
 1156   2HG1  VAL  53          3HG1      VAL  53 -21.207  -5.839  -5.839
 1157   3HG1  VAL  53          2HG1      VAL  53 -20.953  -4.757  -4.757
 1158   1HG2  VAL  53          3HG2      VAL  53 -18.743  -4.239  -4.239
 1159   2HG2  VAL  53          2HG2      VAL  53 -20.294  -5.073  -5.073
 1160   3HG2  VAL  53          1HG2      VAL  53 -18.945  -5.815  -5.815
 1161    H    ASP  54           H        ASP  54 -19.946  -1.844  -1.844
 1162    HA   ASP  54           HA       ASP  54 -19.948  -3.246  -3.246
 1163   1HB   ASP  54          2HB       ASP  54 -21.715  -1.753  -1.753
 1164   2HB   ASP  54          1HB       ASP  54 -20.758  -0.605  -0.605
 1165    H    LYS  55           H        LYS  55 -18.096  -0.557  -0.557
 1166    HA   LYS  55           HA       LYS  55 -16.377  -0.180  -0.180
 1167   1HB   LYS  55          2HB       LYS  55 -16.539   0.739   0.739
 1168   2HB   LYS  55          1HB       LYS  55 -15.069   1.059   1.059
 1169   1HG   LYS  55          2HG       LYS  55 -16.227   2.929   2.929
 1170   2HG   LYS  55          1HG       LYS  55 -16.912   1.821   1.821
 1171   1HD   LYS  55          2HD       LYS  55 -18.816   1.378   1.378
 1172   2HD   LYS  55          1HD       LYS  55 -18.121   2.389   2.389
 1173   1HE   LYS  55          2HE       LYS  55 -18.418   3.673   3.673
 1174   2HE   LYS  55          1HE       LYS  55 -19.917   3.350   3.350
 1175   1HZ   LYS  55          1HZ       LYS  55 -18.692   4.278   4.278
 1176   2HZ   LYS  55          3HZ       LYS  55 -17.549   4.883   4.883
 1177   3HZ   LYS  55          2HZ       LYS  55 -19.163   5.404   5.404
 1178    H    VAL  56           H        VAL  56 -15.504  -1.206  -1.206
 1179    HA   VAL  56           HA       VAL  56 -12.993  -2.254  -2.254
 1180    HB   VAL  56           HB       VAL  56 -15.372  -3.196  -3.196
 1181   1HG1  VAL  56          1HG1      VAL  56 -12.568  -4.347  -4.347
 1182   2HG1  VAL  56          3HG1      VAL  56 -13.682  -4.567  -4.567
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.086  -5.213  -5.213
 1184   1HG2  VAL  56          2HG2      VAL  56 -14.238  -1.032  -1.032
 1185   2HG2  VAL  56          1HG2      VAL  56 -14.107  -2.210  -2.210
 1186   3HG2  VAL  56          3HG2      VAL  56 -12.734  -1.916  -1.916
 1187    H    MET  57           H        MET  57 -16.038  -3.755  -3.755
 1188    HA   MET  57           HA       MET  57 -14.717  -6.234  -6.234
 1189   1HB   MET  57          2HB       MET  57 -17.493  -5.051  -5.051
 1190   2HB   MET  57          1HB       MET  57 -17.063  -6.638  -6.638
 1191   1HG   MET  57          2HG       MET  57 -16.667  -5.831  -5.831
 1192   2HG   MET  57          1HG       MET  57 -18.089  -6.693  -6.693
 1193   1HE   MET  57          3HE       MET  57 -18.385  -8.703  -8.703
 1194   2HE   MET  57          2HE       MET  57 -17.317 -10.104 -10.104
 1195   3HE   MET  57          1HE       MET  57 -17.868  -9.373  -9.373
 1196    H    GLU  58           H        GLU  58 -15.753  -3.181  -3.181
 1197    HA   GLU  58           HA       GLU  58 -15.660  -3.985  -3.985
 1198   1HB   GLU  58          2HB       GLU  58 -16.025  -1.721  -1.721
 1199   2HB   GLU  58          1HB       GLU  58 -16.524  -1.833  -1.833
 1200   1HG   GLU  58          2HG       GLU  58 -15.087   0.004   0.004
 1201   2HG   GLU  58          1HG       GLU  58 -13.982  -1.305  -1.305
 1202    H    THR  59           H        THR  59 -13.162  -2.888  -2.888
 1203    HA   THR  59           HA       THR  59 -11.117  -2.740  -2.740
 1204    HB   THR  59           HB       THR  59 -11.237  -2.379  -2.379
 1205    HG1  THR  59           HG1      THR  59 -11.928  -0.718  -0.718
 1206   1HG2  THR  59          2HG2      THR  59  -8.785  -2.304  -2.304
 1207   2HG2  THR  59          1HG2      THR  59  -8.834  -1.744  -1.744
 1208   3HG2  THR  59          3HG2      THR  59  -9.091  -3.450  -3.450
 1209    H    LEU  60           H        LEU  60 -11.847  -4.818  -4.818
 1210    HA   LEU  60           HA       LEU  60  -9.655  -6.589  -6.589
 1211   1HB   LEU  60          2HB       LEU  60 -11.905  -6.272  -6.272
 1212   2HB   LEU  60          1HB       LEU  60 -12.294  -7.754  -7.754
 1213    HG   LEU  60           HG       LEU  60  -9.769  -7.250  -7.250
 1214   1HD1  LEU  60          1HD1      LEU  60 -12.234  -7.847  -7.847
 1215   2HD1  LEU  60          3HD1      LEU  60 -11.628  -9.469  -9.469
 1216   3HD1  LEU  60          2HD1      LEU  60 -10.732  -8.403  -8.403
 1217   1HD2  LEU  60          3HD2      LEU  60  -9.421  -8.673  -8.673
 1218   2HD2  LEU  60          2HD2      LEU  60  -9.252  -9.600  -9.600
 1219   3HD2  LEU  60          1HD2      LEU  60 -10.729  -9.727  -9.727
 1220    H    ASP  61           H        ASP  61 -12.815  -6.739  -6.739
 1221    HA   ASP  61           HA       ASP  61 -12.174  -9.217  -9.217
 1222   1HB   ASP  61          2HB       ASP  61 -14.389  -7.438  -7.438
 1223   2HB   ASP  61          1HB       ASP  61 -14.251  -7.750  -7.750
 1224    H    SER  62           H        SER  62 -12.217  -5.750  -5.750
 1225    HA   SER  62           HA       SER  62 -11.259  -6.383  -6.383
 1226   1HB   SER  62          2HB       SER  62 -11.719  -4.087  -4.087
 1227   2HB   SER  62          1HB       SER  62 -13.004  -4.651  -4.651
 1228    HG   SER  62           HG       SER  62 -10.760  -3.042  -3.042
 1229    H    ASP  63           H        ASP  63  -9.739  -6.130  -6.130
 1230    HA   ASP  63           HA       ASP  63  -7.534  -4.376  -4.376
 1231   1HB   ASP  63          2HB       ASP  63  -8.431  -6.325  -6.325
 1232   2HB   ASP  63          1HB       ASP  63  -6.814  -6.828  -6.828
 1233    H    GLY  64           H        GLY  64  -5.405  -6.502  -6.502
 1234   1HA   GLY  64          2HA       GLY  64  -4.566  -6.761  -6.761
 1235   2HA   GLY  64          1HA       GLY  64  -4.116  -7.910  -7.910
 1236    H    ASP  65           H        ASP  65  -7.034  -8.442  -8.442
 1237    HA   ASP  65           HA       ASP  65  -8.431 -10.259 -10.259
 1238   1HB   ASP  65          2HB       ASP  65  -9.452  -8.436  -8.436
 1239   2HB   ASP  65          1HB       ASP  65  -8.211  -8.457  -8.457
 1240    H    GLY  66           H        GLY  66  -5.948 -11.286 -11.286
 1241   1HA   GLY  66          2HA       GLY  66  -5.987 -13.534 -13.534
 1242   2HA   GLY  66          1HA       GLY  66  -5.074 -12.335 -12.335
 1243    H    GLU  67           H        GLU  67  -3.554 -11.043 -11.043
 1244    HA   GLU  67           HA       GLU  67  -2.227 -13.050 -13.050
 1245   1HB   GLU  67          2HB       GLU  67  -1.122 -13.456 -13.456
 1246   2HB   GLU  67          1HB       GLU  67  -1.158 -11.760 -11.760
 1247   1HG   GLU  67          2HG       GLU  67   0.849 -11.406 -11.406
 1248   2HG   GLU  67          1HG       GLU  67   0.275 -12.039 -12.039
 1249    H    CYS  68           H        CYS  68  -2.311 -11.819 -11.819
 1250    HA   CYS  68           HA       CYS  68  -1.667  -8.920  -8.920
 1251   1HB   CYS  68          2HB       CYS  68  -2.306 -10.671 -10.671
 1252   2HB   CYS  68          1HB       CYS  68  -2.480  -8.921  -8.921
 1253    HG   CYS  68           HG       CYS  68  -4.228 -10.792 -10.792
 1254    H    ASP  69           H        ASP  69   0.171  -8.029  -8.029
 1255    HA   ASP  69           HA       ASP  69   2.181 -10.021 -10.021
 1256   1HB   ASP  69          2HB       ASP  69   3.833  -9.104  -9.104
 1257   2HB   ASP  69          1HB       ASP  69   2.398  -9.140  -9.140
 1258    H    PHE  70           H        PHE  70   4.107  -8.690  -8.690
 1259    HA   PHE  70           HA       PHE  70   3.644  -7.525  -7.525
 1260   1HB   PHE  70          2HB       PHE  70   5.587  -6.812  -6.812
 1261   2HB   PHE  70          1HB       PHE  70   5.654  -6.016  -6.016
 1262    HD1  PHE  70           HD1      PHE  70   4.381  -9.418  -9.418
 1263    HD2  PHE  70           HD2      PHE  70   7.905  -7.062  -7.062
 1264    HE1  PHE  70           HE1      PHE  70   5.545 -11.391 -11.391
 1265    HE2  PHE  70           HE2      PHE  70   9.085  -9.047  -9.047
 1266    HZ   PHE  70           HZ       PHE  70   7.883 -11.212 -11.212
 1267    H    GLN  71           H        GLN  71   3.042  -5.874  -5.874
 1268    HA   GLN  71           HA       GLN  71   2.488  -3.313  -3.313
 1269   1HB   GLN  71          2HB       GLN  71   2.395  -2.501  -2.501
 1270   2HB   GLN  71          1HB       GLN  71   3.779  -3.581  -3.581
 1271   1HG   GLN  71          2HG       GLN  71   2.989  -4.792  -4.792
 1272   2HG   GLN  71          1HG       GLN  71   1.629  -5.249  -5.249
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.043  -3.721  -3.721
 1274   2HE2  GLN  71          1HE2      GLN  71   0.687  -5.188  -5.188
 1275    H    GLU  72           H        GLU  72   0.624  -6.052  -6.052
 1276    HA   GLU  72           HA       GLU  72  -1.803  -4.538  -4.538
 1277   1HB   GLU  72          2HB       GLU  72  -0.955  -7.379  -7.379
 1278   2HB   GLU  72          1HB       GLU  72  -2.679  -7.030  -7.030
 1279   1HG   GLU  72          2HG       GLU  72  -1.877  -5.450  -5.450
 1280   2HG   GLU  72          1HG       GLU  72  -1.001  -6.961  -6.961
 1281    H    PHE  73           H        PHE  73  -1.036  -6.807  -6.807
 1282    HA   PHE  73           HA       PHE  73  -3.254  -6.241  -6.241
 1283   1HB   PHE  73          2HB       PHE  73  -2.018  -7.856  -7.856
 1284   2HB   PHE  73          1HB       PHE  73  -0.521  -7.261  -7.261
 1285    HD1  PHE  73           HD2      PHE  73  -2.796  -5.263  -5.263
 1286    HD2  PHE  73           HD1      PHE  73   0.847  -7.473  -7.473
 1287    HE1  PHE  73           HE2      PHE  73  -2.092  -4.329  -4.329
 1288    HE2  PHE  73           HE1      PHE  73   1.580  -6.541  -6.541
 1289    HZ   PHE  73           HZ       PHE  73   0.101  -4.971  -4.971
 1290    H    MET  74           H        MET  74  -0.121  -4.450  -4.450
 1291    HA   MET  74           HA       MET  74  -0.957  -2.420  -2.420
 1292   1HB   MET  74          2HB       MET  74   0.965  -2.526  -2.526
 1293   2HB   MET  74          1HB       MET  74   0.813  -1.086  -1.086
 1294   1HG   MET  74          2HG       MET  74   1.440  -3.860  -3.860
 1295   2HG   MET  74          1HG       MET  74   2.644  -2.604  -2.604
 1296   1HE   MET  74          2HE       MET  74   3.316  -1.079  -1.079
 1297   2HE   MET  74          1HE       MET  74   2.091   0.139   0.139
 1298   3HE   MET  74          3HE       MET  74   2.943  -0.664  -0.664
 1299    H    ALA  75           H        ALA  75  -1.442  -2.780  -2.780
 1300    HA   ALA  75           HA       ALA  75  -2.516  -0.159  -0.159
 1301   1HB   ALA  75          3HB       ALA  75  -1.618  -1.783  -1.783
 1302   2HB   ALA  75          2HB       ALA  75  -3.008  -2.825  -2.825
 1303   3HB   ALA  75          1HB       ALA  75  -3.239  -1.238  -1.238
 1304    H    PHE  76           H        PHE  76  -4.301  -3.258  -3.258
 1305    HA   PHE  76           HA       PHE  76  -6.882  -2.100  -2.100
 1306   1HB   PHE  76          2HB       PHE  76  -6.524  -4.364  -4.364
 1307   2HB   PHE  76          1HB       PHE  76  -5.725  -4.786  -4.786
 1308    HD1  PHE  76           HD2      PHE  76  -8.980  -3.218  -3.218
 1309    HD2  PHE  76           HD1      PHE  76  -6.984  -6.027  -6.027
 1310    HE1  PHE  76           HE2      PHE  76 -11.160  -3.883  -3.883
 1311    HE2  PHE  76           HE1      PHE  76  -9.167  -6.690  -6.690
 1312    HZ   PHE  76           HZ       PHE  76 -11.256  -5.619  -5.619
 1313    H    VAL  77           H        VAL  77  -4.817  -3.463  -3.463
 1314    HA   VAL  77           HA       VAL  77  -6.524  -3.110  -3.110
 1315    HB   VAL  77           HB       VAL  77  -4.042  -3.915  -3.915
 1316   1HG1  VAL  77          3HG1      VAL  77  -3.708  -0.981  -0.981
 1317   2HG1  VAL  77          2HG1      VAL  77  -2.463  -2.188  -2.188
 1318   3HG1  VAL  77          1HG1      VAL  77  -2.991  -1.884  -1.884
 1319   1HG2  VAL  77          1HG2      VAL  77  -5.680  -3.503  -3.503
 1320   2HG2  VAL  77          3HG2      VAL  77  -4.045  -4.144  -4.144
 1321   3HG2  VAL  77          2HG2      VAL  77  -4.348  -2.428  -2.428
 1322    H    ALA  78           H        ALA  78  -4.577  -0.686  -0.686
 1323    HA   ALA  78           HA       ALA  78  -5.374   1.532   1.532
 1324   1HB   ALA  78          2HB       ALA  78  -3.333   1.365   1.365
 1325   2HB   ALA  78          1HB       ALA  78  -4.419   1.563   1.563
 1326   3HB   ALA  78          3HB       ALA  78  -4.253   2.859   2.859
 1327    H    MET  79           H        MET  79  -6.610  -0.004  -0.004
 1328    HA   MET  79           HA       MET  79  -8.607   1.992   1.992
 1329   1HB   MET  79          2HB       MET  79  -7.533  -0.346  -0.346
 1330   2HB   MET  79          1HB       MET  79  -9.192  -0.799  -0.799
 1331   1HG   MET  79          2HG       MET  79  -9.863   0.258   0.258
 1332   2HG   MET  79          1HG       MET  79  -9.335   1.779   1.779
 1333   1HE   MET  79          1HE       MET  79  -9.640   1.106   1.106
 1334   2HE   MET  79          3HE       MET  79  -8.171   0.937   0.937
 1335   3HE   MET  79          2HE       MET  79  -8.881  -0.472  -0.472
 1336    H    ILE  80           H        ILE  80  -8.414  -0.666  -0.666
 1337    HA   ILE  80           HA       ILE  80 -11.318  -0.745  -0.745
 1338    HB   ILE  80           HB       ILE  80  -9.394  -1.655  -1.655
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.461  -2.791  -2.791
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.060  -2.299  -2.299
 1341   1HG2  ILE  80          3HG2      ILE  80 -12.004  -2.034  -2.034
 1342   2HG2  ILE  80          2HG2      ILE  80 -11.434  -3.374  -3.374
 1343   3HG2  ILE  80          1HG2      ILE  80 -10.988  -3.288  -3.288
 1344   1HD1  ILE  80          3HD1      ILE  80  -8.980  -4.107  -4.107
 1345   2HD1  ILE  80          2HD1      ILE  80  -9.708  -4.771  -4.771
 1346   3HD1  ILE  80          1HD1      ILE  80  -7.958  -4.572  -4.572
 1347    H    THR  81           H        THR  81  -8.579   0.140   0.140
 1348    HA   THR  81           HA       THR  81  -9.906   1.490   1.490
 1349    HB   THR  81           HB       THR  81  -7.322   2.210   2.210
 1350    HG1  THR  81           HG1      THR  81  -6.888   0.296   0.296
 1351   1HG2  THR  81          3HG2      THR  81  -8.216   3.979   3.979
 1352   2HG2  THR  81          2HG2      THR  81  -8.210   2.798   2.798
 1353   3HG2  THR  81          1HG2      THR  81  -6.690   3.290   3.290
 1354    H    THR  82           H        THR  82  -9.320   2.567   2.567
 1355    HA   THR  82           HA       THR  82  -9.922   5.367   5.367
 1356    HB   THR  82           HB       THR  82 -10.423   5.069   5.069
 1357    HG1  THR  82           HG1      THR  82 -10.342   3.069   3.069
 1358   1HG2  THR  82          1HG2      THR  82  -7.719   4.569   4.569
 1359   2HG2  THR  82          3HG2      THR  82  -7.963   5.016   5.016
 1360   3HG2  THR  82          2HG2      THR  82  -8.413   6.139   6.139
 1361    H    ALA  83           H        ALA  83 -11.887   2.759   2.759
 1362    HA   ALA  83           HA       ALA  83 -14.347   4.327   4.327
 1363   1HB   ALA  83          1HB       ALA  83 -13.687   1.435   1.435
 1364   2HB   ALA  83          3HB       ALA  83 -15.309   2.116   2.116
 1365   3HB   ALA  83          2HB       ALA  83 -14.009   2.723   2.723
 1366    H    CYS  84           H        CYS  84 -12.634   1.994   1.994
 1367    HA   CYS  84           HA       CYS  84 -14.655   0.996   0.996
 1368   1HB   CYS  84          2HB       CYS  84 -12.505   0.008   0.008
 1369   2HB   CYS  84          1HB       CYS  84 -11.699   1.564   1.564
 1370    HG   CYS  84           HG       CYS  84 -12.986   1.501   1.501
 1371    H    HIS  85           H        HIS  85 -13.522   4.214   4.214
 1372    HA   HIS  85           HA       HIS  85 -14.146   6.147   6.147
 1373   1HB   HIS  85          2HB       HIS  85 -16.055   4.256   4.256
 1374   2HB   HIS  85          1HB       HIS  85 -15.389   4.650   4.650
 1375    HD1  HIS  85           HD1      HIS  85 -15.405   7.252   7.252
 1376    HD2  HIS  85           HD2      HIS  85 -17.711   6.234   6.234
 1377    HE1  HIS  85           HE1      HIS  85 -16.959   9.206   9.206
 1378    H    GLU  86           H        GLU  86 -12.168   3.642   3.642
 1379    HA   GLU  86           HA       GLU  86 -11.409   4.504   4.504
 1380   1HB   GLU  86          2HB       GLU  86 -10.657   2.497   2.497
 1381   2HB   GLU  86          1HB       GLU  86  -9.343   3.003   3.003
 1382   1HG   GLU  86          2HG       GLU  86 -10.755   2.500   2.500
 1383   2HG   GLU  86          1HG       GLU  86 -12.044   1.956   1.956
 1384    H    PHE  87           H        PHE  87  -9.865   4.702   4.702
 1385    HA   PHE  87           HA       PHE  87  -7.635   6.284   6.284
 1386   1HB   PHE  87          2HB       PHE  87  -9.186   5.598   5.598
 1387   2HB   PHE  87          1HB       PHE  87  -8.640   7.267   7.267
 1388    HD1  PHE  87           HD2      PHE  87  -5.905   7.450   7.450
 1389    HD2  PHE  87           HD1      PHE  87  -7.860   4.106   4.106
 1390    HE1  PHE  87           HE2      PHE  87  -3.740   6.595   6.595
 1391    HE2  PHE  87           HE1      PHE  87  -5.655   3.285   3.285
 1392    HZ   PHE  87           HZ       PHE  87  -3.599   4.527   4.527
 1393    H    PHE  88           H        PHE  88  -7.731   8.151   8.151
 1394    HA   PHE  88           HA       PHE  88  -8.260  10.351  10.351
 1395   1HB   PHE  88          2HB       PHE  88  -9.750  10.071  10.071
 1396   2HB   PHE  88          1HB       PHE  88  -9.505  11.587  11.587
 1397    HD1  PHE  88           HD1      PHE  88  -7.263   8.631   8.631
 1398    HD2  PHE  88           HD2      PHE  88  -7.894  12.881  12.881
 1399    HE1  PHE  88           HE1      PHE  88  -5.068   8.874   8.874
 1400    HE2  PHE  88           HE2      PHE  88  -5.703  13.163  13.163
 1401    HZ   PHE  88           HZ       PHE  88  -4.295  11.192  11.192
 1402    H    GLU  89           H        GLU  89  -9.668  10.672  10.672
 1403    HA   GLU  89           HA       GLU  89 -12.026   9.242   9.242
 1404   1HB   GLU  89          2HB       GLU  89 -10.569  10.942  10.942
 1405   2HB   GLU  89          1HB       GLU  89 -11.708  12.139  12.139
 1406   1HG   GLU  89          2HG       GLU  89 -13.577  10.658  10.658
 1407   2HG   GLU  89          1HG       GLU  89 -12.342   9.692   9.692
 1408    H    HIS  90           H        HIS  90 -11.705  12.429  12.429
 1409    HA   HIS  90           HA       HIS  90 -14.418  11.991  11.991
 1410   1HB   HIS  90          2HB       HIS  90 -14.810  14.406  14.406
 1411   2HB   HIS  90          1HB       HIS  90 -14.464  13.586  13.586
 1412    HD1  HIS  90           HD1      HIS  90 -13.162  16.181  16.181
 1413    HD2  HIS  90           HD2      HIS  90 -11.791  14.086  14.086
 1414    HE1  HIS  90           HE1      HIS  90 -11.094  17.397  17.397
 1415    H    GLU  91           H        GLU  91 -11.934  11.350  11.350
 1416    HA   GLU  91           HA       GLU  91 -10.739  11.766  11.766
 1417   1HB   GLU  91          2HB       GLU  91 -13.384  11.998  11.998
 1418   2HB   GLU  91          1HB       GLU  91 -12.897  13.644  13.644
 1419   1HG   GLU  91          2HG       GLU  91 -10.999  11.884  11.884
 1420   2HG   GLU  91          1HG       GLU  91 -12.604  11.265  11.265

  Start of MODEL   20
    1   1H    MET   0          3H        MET   0  -0.042  -9.618  -9.618
    2   2H    MET   0          2H        MET   0  -0.695  -9.400  -9.400
    3   3H    MET   0          1H        MET   0  -0.128 -10.928 -10.928
    4    HA   MET   0           HA       MET   0  -1.900 -11.198 -11.198
    5   1HB   MET   0          2HB       MET   0  -2.315 -11.763 -11.763
    6   2HB   MET   0          1HB       MET   0  -2.728 -10.087 -10.087
    7   1HG   MET   0          2HG       MET   0  -4.602 -10.255 -10.255
    8   2HG   MET   0          1HG       MET   0  -4.243 -11.975 -11.975
    9   1HE   MET   0          2HE       MET   0  -6.159  -9.498  -9.498
   10   2HE   MET   0          1HE       MET   0  -7.335 -10.803 -10.803
   11   3HE   MET   0          3HE       MET   0  -6.882  -9.871  -9.871
   12    H    SER   1           H        SER   1  -3.002  -8.382  -8.382
   13    HA   SER   1           HA       SER   1  -4.356  -7.265  -7.265
   14   1HB   SER   1          2HB       SER   1  -3.998  -6.564  -6.564
   15   2HB   SER   1          1HB       SER   1  -4.777  -5.433  -5.433
   16    HG   SER   1           HG       SER   1  -6.434  -6.770  -6.770
   17    H    GLU   2           H        GLU   2  -1.173  -7.260  -7.260
   18    HA   GLU   2           HA       GLU   2  -0.029  -4.798  -4.798
   19   1HB   GLU   2          2HB       GLU   2   0.547  -7.113  -7.113
   20   2HB   GLU   2          1HB       GLU   2   1.643  -5.741  -5.741
   21   1HG   GLU   2          2HG       GLU   2   0.714  -7.007  -7.007
   22   2HG   GLU   2          1HG       GLU   2   1.846  -7.936  -7.936
   23    H    LEU   3           H        LEU   3  -1.838  -6.015  -6.015
   24    HA   LEU   3           HA       LEU   3  -1.096  -3.895  -3.895
   25   1HB   LEU   3          2HB       LEU   3  -3.538  -5.693  -5.693
   26   2HB   LEU   3          1HB       LEU   3  -2.955  -4.833  -4.833
   27    HG   LEU   3           HG       LEU   3  -1.067  -6.642  -6.642
   28   1HD1  LEU   3          3HD1      LEU   3  -3.453  -7.453  -7.453
   29   2HD1  LEU   3          2HD1      LEU   3  -1.959  -8.366  -8.366
   30   3HD1  LEU   3          1HD1      LEU   3  -2.729  -8.248  -8.248
   31   1HD2  LEU   3          2HD2      LEU   3  -1.299  -5.236  -5.236
   32   2HD2  LEU   3          1HD2      LEU   3   0.138  -5.877  -5.877
   33   3HD2  LEU   3          3HD2      LEU   3  -0.863  -6.929  -6.929
   34    H    GLU   4           H        GLU   4  -4.135  -4.465  -4.465
   35    HA   GLU   4           HA       GLU   4  -5.394  -1.989  -1.989
   36   1HB   GLU   4          2HB       GLU   4  -6.574  -3.797  -3.797
   37   2HB   GLU   4          1HB       GLU   4  -5.429  -3.844  -3.844
   38   1HG   GLU   4          2HG       GLU   4  -6.415  -1.189  -1.189
   39   2HG   GLU   4          1HG       GLU   4  -7.814  -2.255  -2.255
   40    H    LYS   5           H        LYS   5  -2.983  -2.886  -2.886
   41    HA   LYS   5           HA       LYS   5  -2.998  -0.387  -0.387
   42   1HB   LYS   5          2HB       LYS   5  -0.787  -2.442  -2.442
   43   2HB   LYS   5          1HB       LYS   5  -1.026  -1.362  -1.362
   44   1HG   LYS   5          2HG       LYS   5  -3.303  -2.481  -2.481
   45   2HG   LYS   5          1HG       LYS   5  -2.768  -3.703  -3.703
   46   1HD   LYS   5          2HD       LYS   5  -2.043  -4.707  -4.707
   47   2HD   LYS   5          1HD       LYS   5  -0.622  -3.719  -3.719
   48   1HE   LYS   5          2HE       LYS   5  -0.919  -2.661  -2.661
   49   2HE   LYS   5          1HE       LYS   5  -2.500  -2.083  -2.083
   50   1HZ   LYS   5          1HZ       LYS   5  -1.978  -4.782  -4.782
   51   2HZ   LYS   5          3HZ       LYS   5  -2.695  -3.500  -3.500
   52   3HZ   LYS   5          2HZ       LYS   5  -3.485  -4.175  -4.175
   53    H    ALA   6           H        ALA   6  -1.295  -1.641  -1.641
   54    HA   ALA   6           HA       ALA   6   0.505   0.649   0.649
   55   1HB   ALA   6          2HB       ALA   6   0.731  -1.785  -1.785
   56   2HB   ALA   6          1HB       ALA   6  -0.364  -1.270  -1.270
   57   3HB   ALA   6          3HB       ALA   6   1.202  -0.480  -0.480
   58    H    VAL   7           H        VAL   7  -2.669  -0.353  -0.353
   59    HA   VAL   7           HA       VAL   7  -3.134   1.608   1.608
   60    HB   VAL   7           HB       VAL   7  -4.613  -0.215  -0.215
   61   1HG1  VAL   7          3HG1      VAL   7  -5.758   2.272   2.272
   62   2HG1  VAL   7          2HG1      VAL   7  -6.740   0.806   0.806
   63   3HG1  VAL   7          1HG1      VAL   7  -6.180   1.412   1.412
   64   1HG2  VAL   7          3HG2      VAL   7  -4.266   0.229   0.229
   65   2HG2  VAL   7          2HG2      VAL   7  -4.174  -1.268  -1.268
   66   3HG2  VAL   7          1HG2      VAL   7  -5.744  -0.563  -0.563
   67    H    VAL   8           H        VAL   8  -3.730   1.588   1.588
   68    HA   VAL   8           HA       VAL   8  -4.817   4.224   4.224
   69    HB   VAL   8           HB       VAL   8  -3.399   2.267   2.267
   70   1HG1  VAL   8          3HG1      VAL   8  -4.134   5.131   5.131
   71   2HG1  VAL   8          2HG1      VAL   8  -3.897   3.891   3.891
   72   3HG1  VAL   8          1HG1      VAL   8  -2.559   4.358   4.358
   73   1HG2  VAL   8          1HG2      VAL   8  -5.899   2.244   2.244
   74   2HG2  VAL   8          3HG2      VAL   8  -5.529   2.038   2.038
   75   3HG2  VAL   8          2HG2      VAL   8  -6.075   3.602   3.602
   76    H    ALA   9           H        ALA   9  -1.507   2.957   2.957
   77    HA   ALA   9           HA       ALA   9  -0.124   5.372   5.372
   78   1HB   ALA   9          1HB       ALA   9   0.631   2.953   2.953
   79   2HB   ALA   9          3HB       ALA   9   1.782   4.150   4.150
   80   3HB   ALA   9          2HB       ALA   9   0.891   3.143   3.143
   81    H    LEU  10           H        LEU  10  -1.371   4.059   4.059
   82    HA   LEU  10           HA       LEU  10  -0.113   5.993   5.993
   83   1HB   LEU  10          2HB       LEU  10  -2.844   5.011   5.011
   84   2HB   LEU  10          1HB       LEU  10  -1.404   5.039   5.039
   85    HG   LEU  10           HG       LEU  10  -2.053   3.024   3.024
   86   1HD1  LEU  10          1HD1      LEU  10  -2.035   3.069   3.069
   87   2HD1  LEU  10          3HD1      LEU  10  -1.487   1.589   1.589
   88   3HD1  LEU  10          2HD1      LEU  10  -3.108   2.206   2.206
   89   1HD2  LEU  10          2HD2      LEU  10   0.388   3.733   3.733
   90   2HD2  LEU  10          1HD2      LEU  10   0.111   2.028   2.028
   91   3HD2  LEU  10          3HD2      LEU  10   0.447   3.156   3.156
   92    H    ILE  11           H        ILE  11  -3.312   5.756   5.756
   93    HA   ILE  11           HA       ILE  11  -4.449   8.078   8.078
   94    HB   ILE  11           HB       ILE  11  -6.087   7.761   7.761
   95   1HG1  ILE  11          2HG1      ILE  11  -5.459   7.131   7.131
   96   2HG1  ILE  11          1HG1      ILE  11  -3.856   7.694   7.694
   97   1HG2  ILE  11          1HG2      ILE  11  -5.467   5.447   5.447
   98   2HG2  ILE  11          3HG2      ILE  11  -4.451   5.341   5.341
   99   3HG2  ILE  11          2HG2      ILE  11  -6.193   5.523   5.523
  100   1HD1  ILE  11          2HD1      ILE  11  -5.231   9.776   9.776
  101   2HD1  ILE  11          1HD1      ILE  11  -6.403   9.240   9.240
  102   3HD1  ILE  11          3HD1      ILE  11  -4.766   9.671   9.671
  103    H    ASP  12           H        ASP  12  -1.929   7.684   7.684
  104    HA   ASP  12           HA       ASP  12  -1.872  10.517  10.517
  105   1HB   ASP  12          2HB       ASP  12  -0.945   8.023   8.023
  106   2HB   ASP  12          1HB       ASP  12   0.516   8.905   8.905
  107    H    VAL  13           H        VAL  13  -0.289   8.290   8.290
  108    HA   VAL  13           HA       VAL  13   1.792  10.092  10.092
  109    HB   VAL  13           HB       VAL  13   0.500   7.597   7.597
  110   1HG1  VAL  13          3HG1      VAL  13   1.836   9.370   9.370
  111   2HG1  VAL  13          2HG1      VAL  13   3.203   8.468   8.468
  112   3HG1  VAL  13          1HG1      VAL  13   1.942   7.628   7.628
  113   1HG2  VAL  13          1HG2      VAL  13   1.762   7.384   7.384
  114   2HG2  VAL  13          3HG2      VAL  13   2.521   6.499   6.499
  115   3HG2  VAL  13          2HG2      VAL  13   3.182   8.051   8.051
  116    H    PHE  14           H        PHE  14  -1.138   8.889   8.889
  117    HA   PHE  14           HA       PHE  14  -0.879  10.882  10.882
  118   1HB   PHE  14          2HB       PHE  14  -2.911   8.878   8.878
  119   2HB   PHE  14          1HB       PHE  14  -3.667  10.443  10.443
  120    HD1  PHE  14           HD2      PHE  14  -0.604   8.864   8.864
  121    HD2  PHE  14           HD1      PHE  14  -4.427  10.677  10.677
  122    HE1  PHE  14           HE2      PHE  14  -0.218   8.755   8.755
  123    HE2  PHE  14           HE1      PHE  14  -4.029  10.557  10.557
  124    HZ   PHE  14           HZ       PHE  14  -1.951   9.568   9.568
  125    H    HIS  15           H        HIS  15  -2.397  10.997  10.997
  126    HA   HIS  15           HA       HIS  15  -3.775  13.421  13.421
  127   1HB   HIS  15          2HB       HIS  15  -3.709  12.157  12.157
  128   2HB   HIS  15          1HB       HIS  15  -1.946  12.145  12.145
  129    HD1  HIS  15           HD1      HIS  15  -4.900  14.408  14.408
  130    HD2  HIS  15           HD2      HIS  15  -0.775  14.430  14.430
  131    HE1  HIS  15           HE1      HIS  15  -4.391  16.442  16.442
  132    H    GLN  16           H        GLN  16  -0.281  12.943  12.943
  133    HA   GLN  16           HA       GLN  16   0.351  15.784  15.784
  134   1HB   GLN  16          2HB       GLN  16   2.016  13.247  13.247
  135   2HB   GLN  16          1HB       GLN  16   2.662  14.868  14.868
  136   1HG   GLN  16          2HG       GLN  16   1.597  15.030  15.030
  137   2HG   GLN  16          1HG       GLN  16   0.655  13.567  13.567
  138   1HE2  GLN  16          2HE2      GLN  16   4.654  12.740  12.740
  139   2HE2  GLN  16          1HE2      GLN  16   4.098  13.876  13.876
  140    H    TYR  17           H        TYR  17   1.495  13.099  13.099
  141    HA   TYR  17           HA       TYR  17   2.427  14.371  14.371
  142   1HB   TYR  17          2HB       TYR  17   0.844  11.866  11.866
  143   2HB   TYR  17          1HB       TYR  17   1.329  12.291  12.291
  144    HD1  TYR  17           HD2      TYR  17   3.708  12.449  12.449
  145    HD2  TYR  17           HD1      TYR  17   2.477  11.270  11.270
  146    HE1  TYR  17           HE2      TYR  17   5.998  11.622  11.622
  147    HE2  TYR  17           HE1      TYR  17   4.759  10.425  10.425
  148    HH   TYR  17           HH       TYR  17   7.213  11.117  11.117
  149    H    SER  18           H        SER  18  -0.887  13.053  13.053
  150    HA   SER  18           HA       SER  18  -1.635  14.825  14.825
  151   1HB   SER  18          2HB       SER  18  -3.961  13.890  13.890
  152   2HB   SER  18          1HB       SER  18  -3.055  13.051  13.051
  153    HG   SER  18           HG       SER  18  -3.289  12.525  12.525
  154    H    GLY  19           H        GLY  19  -1.176  15.593  15.593
  155   1HA   GLY  19          2HA       GLY  19  -2.804  18.036  18.036
  156   2HA   GLY  19          1HA       GLY  19  -3.203  17.012  17.012
  157    H    ARG  20           H        ARG  20  -0.064  18.048  18.048
  158    HA   ARG  20           HA       ARG  20   0.699  18.967  18.967
  159   1HB   ARG  20          2HB       ARG  20   3.036  18.420  18.420
  160   2HB   ARG  20          1HB       ARG  20   1.967  17.028  17.028
  161   1HG   ARG  20          2HG       ARG  20   1.489  17.043  17.043
  162   2HG   ARG  20          1HG       ARG  20   2.420  18.527  18.527
  163   1HD   ARG  20          2HD       ARG  20   3.537  15.852  15.852
  164   2HD   ARG  20          1HD       ARG  20   3.806  16.609  16.609
  165    HE   ARG  20           HE       ARG  20   4.547  18.585  18.585
  166   1HH1  ARG  20          2HH1      ARG  20   5.309  16.574  16.574
  167   2HH1  ARG  20          1HH1      ARG  20   6.932  16.165  16.165
  168   1HH2  ARG  20          1HH2      ARG  20   6.672  17.496  17.496
  169   2HH2  ARG  20          2HH2      ARG  20   7.703  16.684  16.684
  170    H    GLU  21           H        GLU  21   0.851  19.645  19.645
  171    HA   GLU  21           HA       GLU  21   1.714  22.441  22.441
  172   1HB   GLU  21          2HB       GLU  21   2.867  20.413  20.413
  173   2HB   GLU  21          1HB       GLU  21   2.272  21.683  21.683
  174   1HG   GLU  21          2HG       GLU  21   3.598  22.777  22.777
  175   2HG   GLU  21          1HG       GLU  21   4.670  21.731  21.731
  176    H    GLY  22           H        GLY  22   0.429  20.828  20.828
  177   1HA   GLY  22          2HA       GLY  22  -1.850  22.765  22.765
  178   2HA   GLY  22          1HA       GLY  22  -0.988  22.368  22.368
  179    H    ASP  23           H        ASP  23  -2.762  21.403  21.403
  180    HA   ASP  23           HA       ASP  23  -4.376  19.732  19.732
  181   1HB   ASP  23          2HB       ASP  23  -1.825  18.717  18.717
  182   2HB   ASP  23          1HB       ASP  23  -2.916  17.663  17.663
  183    H    LYS  24           H        LYS  24  -5.462  17.652  17.652
  184    HA   LYS  24           HA       LYS  24  -6.130  18.577  18.577
  185   1HB   LYS  24          2HB       LYS  24  -7.869  19.203  19.203
  186   2HB   LYS  24          1HB       LYS  24  -7.986  17.519  17.519
  187   1HG   LYS  24          2HG       LYS  24  -8.262  17.344  17.344
  188   2HG   LYS  24          1HG       LYS  24  -9.136  18.827  18.827
  189   1HD   LYS  24          2HD       LYS  24 -10.034  17.222  17.222
  190   2HD   LYS  24          1HD       LYS  24  -9.750  16.014  16.014
  191   1HE   LYS  24          2HE       LYS  24 -11.916  16.659  16.659
  192   2HE   LYS  24          1HE       LYS  24 -11.008  17.853  17.853
  193   1HZ   LYS  24          1HZ       LYS  24 -11.654  18.345  18.345
  194   2HZ   LYS  24          3HZ       LYS  24 -12.783  18.711  18.711
  195   3HZ   LYS  24          2HZ       LYS  24 -11.263  19.469  19.469
  196    H    HIS  25           H        HIS  25  -6.947  15.782  15.782
  197    HA   HIS  25           HA       HIS  25  -5.764  13.998  13.998
  198   1HB   HIS  25          2HB       HIS  25  -8.533  14.269  14.269
  199   2HB   HIS  25          1HB       HIS  25  -7.939  12.609  12.609
  200    HD1  HIS  25           HD1      HIS  25 -10.089  13.369  13.369
  201    HD2  HIS  25           HD2      HIS  25  -6.012  13.741  13.741
  202    HE1  HIS  25           HE1      HIS  25  -9.847  13.382  13.382
  203    H    LYS  26           H        LYS  26  -4.208  14.496  14.496
  204    HA   LYS  26           HA       LYS  26  -4.327  11.963  11.963
  205   1HB   LYS  26          2HB       LYS  26  -4.736  14.722  14.722
  206   2HB   LYS  26          1HB       LYS  26  -3.897  13.535  13.535
  207   1HG   LYS  26          2HG       LYS  26  -5.880  12.634  12.634
  208   2HG   LYS  26          1HG       LYS  26  -6.132  12.212  12.212
  209   1HD   LYS  26          2HD       LYS  26  -6.616  14.995  14.995
  210   2HD   LYS  26          1HD       LYS  26  -7.468  14.219  14.219
  211   1HE   LYS  26          2HE       LYS  26  -7.804  13.735  13.735
  212   2HE   LYS  26          1HE       LYS  26  -9.046  14.133  14.133
  213   1HZ   LYS  26          3HZ       LYS  26  -8.007  11.949  11.949
  214   2HZ   LYS  26          2HZ       LYS  26  -7.752  11.583  11.583
  215   3HZ   LYS  26          1HZ       LYS  26  -9.321  11.903  11.903
  216    H    LEU  27           H        LEU  27  -2.281  11.848  11.848
  217    HA   LEU  27           HA       LEU  27   0.018  13.281  13.281
  218   1HB   LEU  27          2HB       LEU  27  -0.656  10.735  10.735
  219   2HB   LEU  27          1HB       LEU  27   0.289  10.462  10.462
  220    HG   LEU  27           HG       LEU  27   1.562  10.335  10.335
  221   1HD1  LEU  27          1HD1      LEU  27   2.252  12.057  12.057
  222   2HD1  LEU  27          3HD1      LEU  27   3.339  12.074  12.074
  223   3HD1  LEU  27          2HD1      LEU  27   3.002  10.559  10.559
  224   1HD2  LEU  27          1HD2      LEU  27   0.367  12.323  12.323
  225   2HD2  LEU  27          3HD2      LEU  27   2.123  12.350  12.350
  226   3HD2  LEU  27          2HD2      LEU  27   1.333  13.349  13.349
  227    H    LYS  28           H        LYS  28   1.019  14.438  14.438
  228    HA   LYS  28           HA       LYS  28   0.674  13.594  13.594
  229   1HB   LYS  28          2HB       LYS  28   0.499  15.970  15.970
  230   2HB   LYS  28          1HB       LYS  28   2.208  16.012  16.012
  231   1HG   LYS  28          2HG       LYS  28   0.976  15.052  15.052
  232   2HG   LYS  28          1HG       LYS  28  -0.148  16.278  16.278
  233   1HD   LYS  28          2HD       LYS  28   2.820  16.807  16.807
  234   2HD   LYS  28          1HD       LYS  28   1.728  17.089  17.089
  235   1HE   LYS  28          2HE       LYS  28   0.719  18.218  18.218
  236   2HE   LYS  28          1HE       LYS  28   2.258  18.928  18.928
  237   1HZ   LYS  28          2HZ       LYS  28   1.194  18.928  18.928
  238   2HZ   LYS  28          1HZ       LYS  28  -0.284  18.758  18.758
  239   3HZ   LYS  28          3HZ       LYS  28   0.689  20.119  20.119
  240    H    LYS  29           H        LYS  29   2.689  13.928  13.928
  241    HA   LYS  29           HA       LYS  29   4.707  12.082  12.082
  242   1HB   LYS  29          2HB       LYS  29   4.814  14.715  14.715
  243   2HB   LYS  29          1HB       LYS  29   5.990  13.412  13.412
  244   1HG   LYS  29          2HG       LYS  29   4.232  11.890  11.890
  245   2HG   LYS  29          1HG       LYS  29   3.012  13.138  13.138
  246   1HD   LYS  29          2HD       LYS  29   3.572  14.277  14.277
  247   2HD   LYS  29          1HD       LYS  29   5.292  13.931  13.931
  248   1HE   LYS  29          2HE       LYS  29   5.136  12.222  12.222
  249   2HE   LYS  29          1HE       LYS  29   3.846  11.473  11.473
  250   1HZ   LYS  29          1HZ       LYS  29   3.491  13.746  13.746
  251   2HZ   LYS  29          3HZ       LYS  29   3.043  12.140  12.140
  252   3HZ   LYS  29          2HZ       LYS  29   2.264  13.013  13.013
  253    H    SER  30           H        SER  30   5.143  15.624  15.624
  254    HA   SER  30           HA       SER  30   7.610  15.689  15.689
  255   1HB   SER  30          2HB       SER  30   5.075  17.301  17.301
  256   2HB   SER  30          1HB       SER  30   6.562  17.743  17.743
  257    HG   SER  30           HG       SER  30   6.669  17.189  17.189
  258    H    GLU  31           H        GLU  31   4.424  15.276  15.276
  259    HA   GLU  31           HA       GLU  31   5.478  14.982  14.982
  260   1HB   GLU  31          2HB       GLU  31   2.943  13.780  13.780
  261   2HB   GLU  31          1HB       GLU  31   3.221  14.347  14.347
  262   1HG   GLU  31          2HG       GLU  31   3.734  16.643  16.643
  263   2HG   GLU  31          1HG       GLU  31   2.750  15.939  15.939
  264    H    LEU  32           H        LEU  32   4.366  12.582  12.582
  265    HA   LEU  32           HA       LEU  32   4.851  10.198  10.198
  266   1HB   LEU  32          2HB       LEU  32   4.075  10.797  10.797
  267   2HB   LEU  32          1HB       LEU  32   5.780  10.577  10.577
  268    HG   LEU  32           HG       LEU  32   5.689   8.326   8.326
  269   1HD1  LEU  32          1HD1      LEU  32   2.812   9.157   9.157
  270   2HD1  LEU  32          3HD1      LEU  32   3.247   7.452   7.452
  271   3HD1  LEU  32          2HD1      LEU  32   3.893   8.451   8.451
  272   1HD2  LEU  32          2HD2      LEU  32   4.828   9.083   9.083
  273   2HD2  LEU  32          1HD2      LEU  32   5.160   7.428   7.428
  274   3HD2  LEU  32          3HD2      LEU  32   3.513   8.058   8.058
  275    H    LYS  33           H        LYS  33   7.251  12.031  12.031
  276    HA   LYS  33           HA       LYS  33   9.522  10.453  10.453
  277   1HB   LYS  33          2HB       LYS  33   9.041  12.709  12.709
  278   2HB   LYS  33          1HB       LYS  33   9.655  13.450  13.450
  279   1HG   LYS  33          2HG       LYS  33  11.650  13.188  13.188
  280   2HG   LYS  33          1HG       LYS  33  11.572  11.616  11.616
  281   1HD   LYS  33          2HD       LYS  33  12.008  11.034  11.034
  282   2HD   LYS  33          1HD       LYS  33  10.255  10.871  10.871
  283   1HE   LYS  33          2HE       LYS  33   9.881  12.933  12.933
  284   2HE   LYS  33          1HE       LYS  33  11.561  13.454  13.454
  285   1HZ   LYS  33          1HZ       LYS  33  12.031  11.192  11.192
  286   2HZ   LYS  33          3HZ       LYS  33  10.483  11.451  11.451
  287   3HZ   LYS  33          2HZ       LYS  33  11.707  12.602  12.602
  288    H    GLU  34           H        GLU  34   8.352  13.177  13.177
  289    HA   GLU  34           HA       GLU  34  10.273  12.969  12.969
  290   1HB   GLU  34          2HB       GLU  34   7.905  14.377  14.377
  291   2HB   GLU  34          1HB       GLU  34   7.602  13.614  13.614
  292   1HG   GLU  34          2HG       GLU  34   9.226  14.843  14.843
  293   2HG   GLU  34          1HG       GLU  34  10.260  14.910  14.910
  294    H    LEU  35           H        LEU  35   7.117  11.361  11.361
  295    HA   LEU  35           HA       LEU  35   6.970  10.002  10.002
  296   1HB   LEU  35          2HB       LEU  35   5.489  10.198  10.198
  297   2HB   LEU  35          1HB       LEU  35   6.138   8.569   8.569
  298    HG   LEU  35           HG       LEU  35   5.128   9.240   9.240
  299   1HD1  LEU  35          1HD1      LEU  35   3.434  10.248  10.248
  300   2HD1  LEU  35          3HD1      LEU  35   3.217   8.647   8.647
  301   3HD1  LEU  35          2HD1      LEU  35   2.802   8.925   8.925
  302   1HD2  LEU  35          3HD2      LEU  35   6.094   7.019   7.019
  303   2HD2  LEU  35          2HD2      LEU  35   4.629   6.945   6.945
  304   3HD2  LEU  35          1HD2      LEU  35   4.523   6.836   6.836
  305    H    ILE  36           H        ILE  36   8.766   9.168   9.168
  306    HA   ILE  36           HA       ILE  36   9.672   6.611   6.611
  307    HB   ILE  36           HB       ILE  36   9.941   8.132   8.132
  308   1HG1  ILE  36          2HG1      ILE  36   8.872   6.193   6.193
  309   2HG1  ILE  36          1HG1      ILE  36   9.195   5.245   5.245
  310   1HG2  ILE  36          2HG2      ILE  36  11.804   6.082   6.082
  311   2HG2  ILE  36          1HG2      ILE  36  11.306   5.887   5.887
  312   3HG2  ILE  36          3HG2      ILE  36  12.107   7.371   7.371
  313   1HD1  ILE  36          1HD1      ILE  36   7.722   6.766   6.766
  314   2HD1  ILE  36          3HD1      ILE  36   7.356   7.648   7.648
  315   3HD1  ILE  36          2HD1      ILE  36   6.855   5.966   5.966
  316    H    ASN  37           H        ASN  37  10.885   9.881   9.881
  317    HA   ASN  37           HA       ASN  37  13.655   9.281   9.281
  318   1HB   ASN  37          2HB       ASN  37  12.144  11.886  11.886
  319   2HB   ASN  37          1HB       ASN  37  13.891  11.682  11.682
  320   1HD2  ASN  37          2HD2      ASN  37  13.119  11.974  11.974
  321   2HD2  ASN  37          1HD2      ASN  37  13.477  12.919  12.919
  322    H    ASN  38           H        ASN  38  10.798  10.381  10.381
  323    HA   ASN  38           HA       ASN  38  12.266  11.080  11.080
  324   1HB   ASN  38          2HB       ASN  38   9.349  10.625  10.625
  325   2HB   ASN  38          1HB       ASN  38   9.892  11.190  11.190
  326   1HD2  ASN  38          2HD2      ASN  38   9.453  14.431  14.431
  327   2HD2  ASN  38          1HD2      ASN  38   8.784  13.278  13.278
  328    H    GLU  39           H        GLU  39  11.231   8.187   8.187
  329    HA   GLU  39           HA       GLU  39  11.280   6.707   6.707
  330   1HB   GLU  39          2HB       GLU  39   9.898   5.077   5.077
  331   2HB   GLU  39          1HB       GLU  39   9.183   6.679   6.679
  332   1HG   GLU  39          2HG       GLU  39  10.264   6.926   6.926
  333   2HG   GLU  39          1HG       GLU  39  10.900   5.289   5.289
  334    H    LEU  40           H        LEU  40  12.324   6.581   6.581
  335    HA   LEU  40           HA       LEU  40  14.422   4.590   4.590
  336   1HB   LEU  40          2HB       LEU  40  12.995   5.116   5.116
  337   2HB   LEU  40          1HB       LEU  40  14.248   3.896   3.896
  338    HG   LEU  40           HG       LEU  40  12.069   3.781   3.781
  339   1HD1  LEU  40          2HD1      LEU  40  10.965   4.429   4.429
  340   2HD1  LEU  40          1HD1      LEU  40  11.455   2.825   2.825
  341   3HD1  LEU  40          3HD1      LEU  40  10.355   2.992   2.992
  342   1HD2  LEU  40          3HD2      LEU  40  13.681   1.902   1.902
  343   2HD2  LEU  40          2HD2      LEU  40  13.573   1.981   1.981
  344   3HD2  LEU  40          1HD2      LEU  40  12.231   1.324   1.324
  345    H    SER  41           H        SER  41  15.483   6.836   6.836
  346    HA   SER  41           HA       SER  41  16.322   8.819   8.819
  347   1HB   SER  41          2HB       SER  41  17.271   9.157   9.157
  348   2HB   SER  41          1HB       SER  41  17.349   7.429   7.429
  349    HG   SER  41           HG       SER  41  19.358   8.906   8.906
  350    H    HIS  42           H        HIS  42  17.984   5.665   5.665
  351    HA   HIS  42           HA       HIS  42  20.057   5.877   5.877
  352   1HB   HIS  42          2HB       HIS  42  18.118   3.679   3.679
  353   2HB   HIS  42          1HB       HIS  42  19.398   3.392   3.392
  354    HD1  HIS  42           HD1      HIS  42  20.790   1.840   1.840
  355    HD2  HIS  42           HD2      HIS  42  20.084   5.595   5.595
  356    HE1  HIS  42           HE1      HIS  42  22.303   2.022   2.022
  357    H    PHE  43           H        PHE  43  16.657   5.093   5.093
  358    HA   PHE  43           HA       PHE  43  17.005   4.805   4.805
  359   1HB   PHE  43          2HB       PHE  43  14.837   5.197   5.197
  360   2HB   PHE  43          1HB       PHE  43  14.452   5.755   5.755
  361    HD1  PHE  43           HD2      PHE  43  16.236   3.711   3.711
  362    HD2  PHE  43           HD1      PHE  43  13.403   3.299   3.299
  363    HE1  PHE  43           HE2      PHE  43  15.760   1.389   1.389
  364    HE2  PHE  43           HE1      PHE  43  12.956   0.965   0.965
  365    HZ   PHE  43           HZ       PHE  43  14.138   0.012   0.012
  366    H    LEU  44           H        LEU  44  16.926   7.648   7.648
  367    HA   LEU  44           HA       LEU  44  16.000   9.690   9.690
  368   1HB   LEU  44          2HB       LEU  44  17.114   9.689   9.689
  369   2HB   LEU  44          1HB       LEU  44  18.644   9.813   9.813
  370    HG   LEU  44           HG       LEU  44  17.864  11.851  11.851
  371   1HD1  LEU  44          2HD1      LEU  44  15.325  10.845  10.845
  372   2HD1  LEU  44          1HD1      LEU  44  15.558  12.514  12.514
  373   3HD1  LEU  44          3HD1      LEU  44  15.639  12.114  12.114
  374   1HD2  LEU  44          3HD2      LEU  44  18.448  11.555  11.555
  375   2HD2  LEU  44          2HD2      LEU  44  18.571  13.036  13.036
  376   3HD2  LEU  44          1HD2      LEU  44  17.088  12.677  12.677
  377    H    GLU  45           H        GLU  45  18.830   7.705   7.705
  378    HA   GLU  45           HA       GLU  45  19.990   9.245   9.245
  379   1HB   GLU  45          2HB       GLU  45  20.759   7.339   7.339
  380   2HB   GLU  45          1HB       GLU  45  21.286   6.770   6.770
  381   1HG   GLU  45          2HG       GLU  45  22.950   8.284   8.284
  382   2HG   GLU  45          1HG       GLU  45  21.783   9.592   9.592
  383    H    GLU  46           H        GLU  46  18.164   6.272   6.272
  384    HA   GLU  46           HA       GLU  46  17.045   4.825   4.825
  385   1HB   GLU  46          2HB       GLU  46  16.824   7.321   7.321
  386   2HB   GLU  46          1HB       GLU  46  17.812   6.656   6.656
  387   1HG   GLU  46          2HG       GLU  46  15.699   6.135   6.135
  388   2HG   GLU  46          1HG       GLU  46  16.043   4.676   4.676
  389    H    ILE  47           H        ILE  47  19.939   6.263   6.263
  390    HA   ILE  47           HA       ILE  47  20.771   4.278   4.278
  391    HB   ILE  47           HB       ILE  47  21.881   6.480   6.480
  392   1HG1  ILE  47          2HG1      ILE  47  22.857   4.958   4.958
  393   2HG1  ILE  47          1HG1      ILE  47  24.100   5.720   5.720
  394   1HG2  ILE  47          2HG2      ILE  47  23.013   4.482   4.482
  395   2HG2  ILE  47          1HG2      ILE  47  23.682   6.093   6.093
  396   3HG2  ILE  47          3HG2      ILE  47  22.053   5.911   5.911
  397   1HD1  ILE  47          2HD1      ILE  47  23.622   3.493   3.493
  398   2HD1  ILE  47          1HD1      ILE  47  23.277   2.875   2.875
  399   3HD1  ILE  47          3HD1      ILE  47  24.856   3.574   3.574
  400    H    LYS  48           H        LYS  48  20.723   4.199   4.199
  401    HA   LYS  48           HA       LYS  48  22.297   2.122   2.122
  402   1HB   LYS  48          2HB       LYS  48  19.495   3.053   3.053
  403   2HB   LYS  48          1HB       LYS  48  20.026   1.540   1.540
  404   1HG   LYS  48          2HG       LYS  48  20.521   3.400   3.400
  405   2HG   LYS  48          1HG       LYS  48  22.028   2.707   2.707
  406   1HD   LYS  48          2HD       LYS  48  22.189   4.480   4.480
  407   2HD   LYS  48          1HD       LYS  48  20.666   5.168   5.168
  408   1HE   LYS  48          2HE       LYS  48  22.584   6.388   6.388
  409   2HE   LYS  48          1HE       LYS  48  21.694   5.522   5.522
  410   1HZ   LYS  48          3HZ       LYS  48  23.737   4.001   4.001
  411   2HZ   LYS  48          2HZ       LYS  48  24.311   5.236   5.236
  412   3HZ   LYS  48          1HZ       LYS  48  23.329   4.005   4.005
  413    H    GLU  49           H        GLU  49  19.550   1.949   1.949
  414    HA   GLU  49           HA       GLU  49  20.128  -0.892  -0.892
  415   1HB   GLU  49          2HB       GLU  49  17.500  -1.130  -1.130
  416   2HB   GLU  49          1HB       GLU  49  18.569  -1.284  -1.284
  417   1HG   GLU  49          2HG       GLU  49  17.778   1.497   1.497
  418   2HG   GLU  49          1HG       GLU  49  16.438   0.448   0.448
  419    H    GLN  50           H        GLN  50  20.612  -0.231  -0.231
  420    HA   GLN  50           HA       GLN  50  19.289   1.598   1.598
  421   1HB   GLN  50          2HB       GLN  50  20.663  -1.046  -1.046
  422   2HB   GLN  50          1HB       GLN  50  20.015  -0.138  -0.138
  423   1HG   GLN  50          2HG       GLN  50  22.023   0.891   0.891
  424   2HG   GLN  50          1HG       GLN  50  22.371   0.446   0.446
  425   1HE2  GLN  50          2HE2      GLN  50  20.638   3.335   3.335
  426   2HE2  GLN  50          1HE2      GLN  50  20.884   1.686   1.686
  427    H    GLU  51           H        GLU  51  18.695  -1.894  -1.894
  428    HA   GLU  51           HA       GLU  51  16.366  -1.858  -1.858
  429   1HB   GLU  51          2HB       GLU  51  17.591  -3.860  -3.860
  430   2HB   GLU  51          1HB       GLU  51  16.986  -3.614  -3.614
  431   1HG   GLU  51          2HG       GLU  51  14.632  -3.610  -3.610
  432   2HG   GLU  51          1HG       GLU  51  15.491  -4.468  -4.468
  433    H    VAL  52           H        VAL  52  16.586  -1.243  -1.243
  434    HA   VAL  52           HA       VAL  52  13.702  -1.139  -1.139
  435    HB   VAL  52           HB       VAL  52  16.025  -0.088  -0.088
  436   1HG1  VAL  52          2HG1      VAL  52  13.144   0.040   0.040
  437   2HG1  VAL  52          1HG1      VAL  52  13.880  -0.886  -0.886
  438   3HG1  VAL  52          3HG1      VAL  52  14.409   0.765   0.765
  439   1HG2  VAL  52          2HG2      VAL  52  14.539  -2.733  -2.733
  440   2HG2  VAL  52          1HG2      VAL  52  16.236  -2.484  -2.484
  441   3HG2  VAL  52          3HG2      VAL  52  15.686  -2.233  -2.233
  442    H    VAL  53           H        VAL  53  16.300   1.277   1.277
  443    HA   VAL  53           HA       VAL  53  14.891   3.673   3.673
  444    HB   VAL  53           HB       VAL  53  16.969   2.844   2.844
  445   1HG1  VAL  53          2HG1      VAL  53  15.671   4.968   4.968
  446   2HG1  VAL  53          1HG1      VAL  53  16.336   5.646   5.646
  447   3HG1  VAL  53          3HG1      VAL  53  17.414   5.176   5.176
  448   1HG2  VAL  53          2HG2      VAL  53  17.212   2.890   2.890
  449   2HG2  VAL  53          1HG2      VAL  53  18.550   3.204   3.204
  450   3HG2  VAL  53          3HG2      VAL  53  17.659   4.550   4.550
  451    H    ASP  54           H        ASP  54  14.785   1.252   1.252
  452    HA   ASP  54           HA       ASP  54  13.150   2.795   2.795
  453   1HB   ASP  54          2HB       ASP  54  14.467   1.123   1.123
  454   2HB   ASP  54          1HB       ASP  54  14.178  -0.017  -0.017
  455    H    LYS  55           H        LYS  55  12.671   0.235   0.235
  456    HA   LYS  55           HA       LYS  55   9.797   0.032   0.032
  457   1HB   LYS  55          2HB       LYS  55  11.904  -0.828  -0.828
  458   2HB   LYS  55          1HB       LYS  55  10.210  -0.969  -0.969
  459   1HG   LYS  55          2HG       LYS  55  10.545  -3.022  -3.022
  460   2HG   LYS  55          1HG       LYS  55   9.957  -2.067  -2.067
  461   1HD   LYS  55          2HD       LYS  55  12.304  -1.594  -1.594
  462   2HD   LYS  55          1HD       LYS  55  12.858  -2.627  -2.627
  463   1HE   LYS  55          2HE       LYS  55  12.333  -4.552  -4.552
  464   2HE   LYS  55          1HE       LYS  55  10.850  -3.856  -3.856
  465   1HZ   LYS  55          1HZ       LYS  55  13.357  -2.646  -2.646
  466   2HZ   LYS  55          3HZ       LYS  55  13.061  -4.211  -4.211
  467   3HZ   LYS  55          2HZ       LYS  55  11.949  -2.965  -2.965
  468    H    VAL  56           H        VAL  56  11.680   1.313   1.313
  469    HA   VAL  56           HA       VAL  56   9.711   2.644   2.644
  470    HB   VAL  56           HB       VAL  56  12.563   3.404   3.404
  471   1HG1  VAL  56          3HG1      VAL  56  10.523   4.909   4.909
  472   2HG1  VAL  56          2HG1      VAL  56  12.021   4.651   4.651
  473   3HG1  VAL  56          1HG1      VAL  56  12.058   5.459   5.459
  474   1HG2  VAL  56          3HG2      VAL  56  11.622   1.347   1.347
  475   2HG2  VAL  56          2HG2      VAL  56  13.177   2.133   2.133
  476   3HG2  VAL  56          1HG2      VAL  56  11.775   2.609   2.609
  477    H    MET  57           H        MET  57  11.674   4.158   4.158
  478    HA   MET  57           HA       MET  57  10.054   6.518   6.518
  479   1HB   MET  57          2HB       MET  57  11.881   5.132   5.132
  480   2HB   MET  57          1HB       MET  57  11.369   6.817   6.817
  481   1HG   MET  57          2HG       MET  57  12.843   5.665   5.665
  482   2HG   MET  57          1HG       MET  57  13.664   6.440   6.440
  483   1HE   MET  57          2HE       MET  57  14.548   8.584   8.584
  484   2HE   MET  57          1HE       MET  57  13.251   8.901   8.901
  485   3HE   MET  57          3HE       MET  57  13.535  10.010  10.010
  486    H    GLU  58           H        GLU  58   9.848   3.303   3.303
  487    HA   GLU  58           HA       GLU  58   8.133   3.880   3.880
  488   1HB   GLU  58          2HB       GLU  58   8.781   1.701   1.701
  489   2HB   GLU  58          1HB       GLU  58   8.909   1.575   1.575
  490   1HG   GLU  58          2HG       GLU  58   7.138   0.091   0.091
  491   2HG   GLU  58          1HG       GLU  58   6.454   1.343   1.343
  492    H    THR  59           H        THR  59   7.250   2.990   2.990
  493    HA   THR  59           HA       THR  59   4.426   3.264   3.264
  494    HB   THR  59           HB       THR  59   6.196   3.789   3.789
  495    HG1  THR  59           HG1      THR  59   5.067   1.467   1.467
  496   1HG2  THR  59          1HG2      THR  59   3.248   3.477   3.477
  497   2HG2  THR  59          3HG2      THR  59   3.965   2.832   2.832
  498   3HG2  THR  59          2HG2      THR  59   4.118   4.547   4.547
  499    H    LEU  60           H        LEU  60   6.946   5.610   5.610
  500    HA   LEU  60           HA       LEU  60   5.234   7.837   7.837
  501   1HB   LEU  60          2HB       LEU  60   8.056   7.240   7.240
  502   2HB   LEU  60          1HB       LEU  60   7.587   8.824   8.824
  503    HG   LEU  60           HG       LEU  60   6.476   8.262   8.262
  504   1HD1  LEU  60          3HD1      LEU  60   9.042   7.301   7.301
  505   2HD1  LEU  60          2HD1      LEU  60   9.323   8.940   8.940
  506   3HD1  LEU  60          1HD1      LEU  60   8.352   7.816   7.816
  507   1HD2  LEU  60          3HD2      LEU  60   7.357  10.444  10.444
  508   2HD2  LEU  60          2HD2      LEU  60   6.451  10.510  10.510
  509   3HD2  LEU  60          1HD2      LEU  60   8.215  10.519  10.519
  510    H    ASP  61           H        ASP  61   6.741   6.651   6.651
  511    HA   ASP  61           HA       ASP  61   5.352   8.702   8.702
  512   1HB   ASP  61          2HB       ASP  61   7.804   7.454   7.454
  513   2HB   ASP  61          1HB       ASP  61   6.887   6.543   6.543
  514    H    SER  62           H        SER  62   4.416   5.904   5.904
  515    HA   SER  62           HA       SER  62   3.286   4.455   4.455
  516   1HB   SER  62          2HB       SER  62   3.746   3.172   3.172
  517   2HB   SER  62          1HB       SER  62   3.079   4.376   4.376
  518    HG   SER  62           HG       SER  62   1.275   3.325   3.325
  519    H    ASP  63           H        ASP  63   2.501   7.416   7.416
  520    HA   ASP  63           HA       ASP  63   0.619   8.758   8.758
  521   1HB   ASP  63          2HB       ASP  63   0.304   6.687   6.687
  522   2HB   ASP  63          1HB       ASP  63  -1.030   6.323   6.323
  523    H    GLY  64           H        GLY  64   0.164   5.821   5.821
  524   1HA   GLY  64          2HA       GLY  64  -2.148   6.894   6.894
  525   2HA   GLY  64          1HA       GLY  64  -1.220   5.469   5.469
  526    H    ASP  65           H        ASP  65   1.001   7.865   7.865
  527    HA   ASP  65           HA       ASP  65   1.291   8.334   8.334
  528   1HB   ASP  65          2HB       ASP  65   3.245   7.629   7.629
  529   2HB   ASP  65          1HB       ASP  65   2.950   8.769   8.769
  530    H    GLY  66           H        GLY  66   1.231  10.362  10.362
  531   1HA   GLY  66          2HA       GLY  66   1.320  12.904  12.904
  532   2HA   GLY  66          1HA       GLY  66   0.250  12.515  12.515
  533    H    GLU  67           H        GLU  67  -1.388  10.672  10.672
  534    HA   GLU  67           HA       GLU  67  -2.909  12.418  12.418
  535   1HB   GLU  67          2HB       GLU  67  -4.805  11.177  11.177
  536   2HB   GLU  67          1HB       GLU  67  -3.850  11.743  11.743
  537   1HG   GLU  67          2HG       GLU  67  -2.656   9.327   9.327
  538   2HG   GLU  67          1HG       GLU  67  -4.362   8.997   8.997
  539    H    CYS  68           H        CYS  68  -0.939  11.181  11.181
  540    HA   CYS  68           HA       CYS  68  -1.651   8.406   8.406
  541   1HB   CYS  68          2HB       CYS  68   0.634   9.984   9.984
  542   2HB   CYS  68          1HB       CYS  68   0.313   9.778   9.778
  543    HG   CYS  68           HG       CYS  68   1.733   7.727   7.727
  544    H    ASP  69           H        ASP  69  -3.781   8.801   8.801
  545    HA   ASP  69           HA       ASP  69  -3.937  10.448  10.448
  546   1HB   ASP  69          2HB       ASP  69  -5.787  10.521  10.521
  547   2HB   ASP  69          1HB       ASP  69  -5.844   8.767   8.767
  548    H    PHE  70           H        PHE  70  -5.064   9.447   9.447
  549    HA   PHE  70           HA       PHE  70  -4.054   8.031   8.031
  550   1HB   PHE  70          2HB       PHE  70  -6.644   7.438   7.438
  551   2HB   PHE  70          1HB       PHE  70  -6.170   6.478   6.478
  552    HD1  PHE  70           HD2      PHE  70  -4.947   8.272   8.272
  553    HD2  PHE  70           HD1      PHE  70  -8.196   9.056   9.056
  554    HE1  PHE  70           HE2      PHE  70  -5.745  10.089  10.089
  555    HE2  PHE  70           HE1      PHE  70  -8.988  10.875  10.875
  556    HZ   PHE  70           HZ       PHE  70  -7.755  11.391  11.391
  557    H    GLN  71           H        GLN  71  -5.479   5.827   5.827
  558    HA   GLN  71           HA       GLN  71  -3.889   3.573   3.573
  559   1HB   GLN  71          2HB       GLN  71  -5.202   2.369   2.369
  560   2HB   GLN  71          1HB       GLN  71  -6.253   3.620   3.620
  561   1HG   GLN  71          2HG       GLN  71  -6.645   3.971   3.971
  562   2HG   GLN  71          1HG       GLN  71  -5.253   5.030   5.030
  563   1HE2  GLN  71          2HE2      GLN  71  -4.227   3.062   3.062
  564   2HE2  GLN  71          1HE2      GLN  71  -5.201   4.400   4.400
  565    H    GLU  72           H        GLU  72  -3.522   5.859   5.859
  566    HA   GLU  72           HA       GLU  72  -1.776   4.295   4.295
  567   1HB   GLU  72          2HB       GLU  72  -1.708   7.296   7.296
  568   2HB   GLU  72          1HB       GLU  72  -1.456   6.366   6.366
  569   1HG   GLU  72          2HG       GLU  72  -3.924   5.509   5.509
  570   2HG   GLU  72          1HG       GLU  72  -3.984   7.136   7.136
  571    H    PHE  73           H        PHE  73  -1.216   6.416   6.416
  572    HA   PHE  73           HA       PHE  73   1.641   6.432   6.432
  573   1HB   PHE  73          2HB       PHE  73   1.048   8.016   8.016
  574   2HB   PHE  73          1HB       PHE  73  -0.523   7.268   7.268
  575    HD1  PHE  73           HD2      PHE  73   2.972   6.112   6.112
  576    HD2  PHE  73           HD1      PHE  73  -0.899   7.024   7.024
  577    HE1  PHE  73           HE2      PHE  73   3.710   5.305   5.305
  578    HE2  PHE  73           HE1      PHE  73  -0.159   6.227   6.227
  579    HZ   PHE  73           HZ       PHE  73   2.141   5.362   5.362
  580    H    MET  74           H        MET  74  -0.526   4.531   4.531
  581    HA   MET  74           HA       MET  74   1.402   2.758   2.758
  582   1HB   MET  74          2HB       MET  74  -1.492   2.951   2.951
  583   2HB   MET  74          1HB       MET  74  -0.940   1.276   1.276
  584   1HG   MET  74          2HG       MET  74   0.392   1.801   1.801
  585   2HG   MET  74          1HG       MET  74  -0.578   3.271   3.271
  586   1HE   MET  74          1HE       MET  74   0.025   0.106   0.106
  587   2HE   MET  74          3HE       MET  74  -1.471  -0.741  -0.741
  588   3HE   MET  74          2HE       MET  74  -0.858  -0.787  -0.787
  589    H    ALA  75           H        ALA  75  -0.219   2.830   2.830
  590    HA   ALA  75           HA       ALA  75   0.491   0.211   0.211
  591   1HB   ALA  75          2HB       ALA  75  -0.425   2.841   2.841
  592   2HB   ALA  75          1HB       ALA  75   0.248   1.703   1.703
  593   3HB   ALA  75          3HB       ALA  75  -1.149   1.243   1.243
  594    H    PHE  76           H        PHE  76   1.881   3.349   3.349
  595    HA   PHE  76           HA       PHE  76   4.172   2.269   2.269
  596   1HB   PHE  76          2HB       PHE  76   3.363   4.445   4.445
  597   2HB   PHE  76          1HB       PHE  76   3.375   4.948   4.948
  598    HD1  PHE  76           HD1      PHE  76   5.811   3.498   3.498
  599    HD2  PHE  76           HD2      PHE  76   5.075   6.394   6.394
  600    HE1  PHE  76           HE1      PHE  76   8.102   4.392   4.392
  601    HE2  PHE  76           HE2      PHE  76   7.371   7.283   7.283
  602    HZ   PHE  76           HZ       PHE  76   8.884   6.284   6.284
  603    H    VAL  77           H        VAL  77   3.764   3.692   3.692
  604    HA   VAL  77           HA       VAL  77   6.434   3.557   3.557
  605    HB   VAL  77           HB       VAL  77   4.112   4.235   4.235
  606   1HG1  VAL  77          1HG1      VAL  77   3.390   1.817   1.817
  607   2HG1  VAL  77          3HG1      VAL  77   4.683   1.552   1.552
  608   3HG1  VAL  77          2HG1      VAL  77   3.365   2.661   2.661
  609   1HG2  VAL  77          2HG2      VAL  77   6.808   3.700   3.700
  610   2HG2  VAL  77          1HG2      VAL  77   5.718   5.020   5.020
  611   3HG2  VAL  77          3HG2      VAL  77   5.624   3.484   3.484
  612    H    ALA  78           H        ALA  78   4.000   1.002   1.002
  613    HA   ALA  78           HA       ALA  78   5.640  -1.126  -1.126
  614   1HB   ALA  78          1HB       ALA  78   3.013  -0.755  -0.755
  615   2HB   ALA  78          3HB       ALA  78   3.551  -1.700  -1.700
  616   3HB   ALA  78          2HB       ALA  78   3.731  -2.346  -2.346
  617    H    MET  79           H        MET  79   4.842   0.002   0.002
  618    HA   MET  79           HA       MET  79   6.304  -1.886  -1.886
  619   1HB   MET  79          2HB       MET  79   4.831  -0.185  -0.185
  620   2HB   MET  79          1HB       MET  79   5.883   1.101   1.101
  621   1HG   MET  79          2HG       MET  79   6.936   0.984   0.984
  622   2HG   MET  79          1HG       MET  79   7.606  -0.549  -0.549
  623   1HE   MET  79          2HE       MET  79   7.643  -2.295  -2.295
  624   2HE   MET  79          1HE       MET  79   6.129  -3.091  -3.091
  625   3HE   MET  79          3HE       MET  79   6.621  -2.952  -2.952
  626    H    ILE  80           H        ILE  80   7.394   1.073   1.073
  627    HA   ILE  80           HA       ILE  80  10.107   1.091   1.091
  628    HB   ILE  80           HB       ILE  80   8.936   1.815   1.815
  629   1HG1  ILE  80          2HG1      ILE  80   7.861   2.801   2.801
  630   2HG1  ILE  80          1HG1      ILE  80   8.411   3.934   3.934
  631   1HG2  ILE  80          2HG2      ILE  80  11.478   2.635   2.635
  632   2HG2  ILE  80          1HG2      ILE  80  10.825   3.495   3.495
  633   3HG2  ILE  80          3HG2      ILE  80  11.331   1.814   1.814
  634   1HD1  ILE  80          1HD1      ILE  80  10.642   3.514   3.514
  635   2HD1  ILE  80          3HD1      ILE  80   9.271   3.677   3.677
  636   3HD1  ILE  80          2HD1      ILE  80   9.636   4.953   4.953
  637    H    THR  81           H        THR  81   9.039   0.077   0.077
  638    HA   THR  81           HA       THR  81  11.274  -1.361  -1.361
  639    HB   THR  81           HB       THR  81   8.403  -2.213  -2.213
  640    HG1  THR  81           HG1      THR  81   9.890  -0.059  -0.059
  641   1HG2  THR  81          3HG2      THR  81  10.442  -3.496  -3.496
  642   2HG2  THR  81          2HG2      THR  81  10.653  -2.094  -2.094
  643   3HG2  THR  81          1HG2      THR  81   9.163  -3.034  -3.034
  644    H    THR  82           H        THR  82   8.649  -2.530  -2.530
  645    HA   THR  82           HA       THR  82   9.635  -5.261  -5.261
  646    HB   THR  82           HB       THR  82   8.132  -5.134  -5.134
  647    HG1  THR  82           HG1      THR  82   6.880  -3.050  -3.050
  648   1HG2  THR  82          2HG2      THR  82   7.201  -4.886  -4.886
  649   2HG2  THR  82          1HG2      THR  82   6.077  -5.176  -5.176
  650   3HG2  THR  82          3HG2      THR  82   7.345  -6.350  -6.350
  651    H    ALA  83           H        ALA  83  10.164  -2.359  -2.359
  652    HA   ALA  83           HA       ALA  83  11.699  -3.736  -3.736
  653   1HB   ALA  83          3HB       ALA  83  10.424  -1.484  -1.484
  654   2HB   ALA  83          2HB       ALA  83  11.829  -0.808  -0.808
  655   3HB   ALA  83          1HB       ALA  83  12.006  -1.530  -1.530
  656    H    CYS  84           H        CYS  84  12.461  -1.931  -1.931
  657    HA   CYS  84           HA       CYS  84  15.198  -1.585  -1.585
  658   1HB   CYS  84          2HB       CYS  84  13.947  -0.961  -0.961
  659   2HB   CYS  84          1HB       CYS  84  13.369  -2.612  -2.612
  660    HG   CYS  84           HG       CYS  84  16.431  -2.228  -2.228
  661    H    HIS  85           H        HIS  85  13.454  -4.637  -4.637
  662    HA   HIS  85           HA       HIS  85  15.624  -6.215  -6.215
  663   1HB   HIS  85          2HB       HIS  85  16.010  -5.325  -5.325
  664   2HB   HIS  85          1HB       HIS  85  15.361  -6.949  -6.949
  665    HD1  HIS  85           HD1      HIS  85  16.594  -8.194  -8.194
  666    HD2  HIS  85           HD2      HIS  85  18.715  -5.981  -5.981
  667    HE1  HIS  85           HE1      HIS  85  19.024  -8.857  -8.857
  668    H    GLU  86           H        GLU  86  13.176  -6.591  -6.591
  669    HA   GLU  86           HA       GLU  86  11.324  -8.115  -8.115
  670   1HB   GLU  86          2HB       GLU  86  13.608  -9.496  -9.496
  671   2HB   GLU  86          1HB       GLU  86  12.784  -9.934  -9.934
  672   1HG   GLU  86          2HG       GLU  86  12.156 -11.585 -11.585
  673   2HG   GLU  86          1HG       GLU  86  10.760 -10.524 -10.524
  674    H    PHE  87           H        PHE  87  11.033  -6.092  -6.092
  675    HA   PHE  87           HA       PHE  87   9.682  -5.515  -5.515
  676   1HB   PHE  87          2HB       PHE  87   8.470  -7.673  -7.673
  677   2HB   PHE  87          1HB       PHE  87   8.962  -8.382  -8.382
  678    HD1  PHE  87           HD1      PHE  87   8.829  -6.276  -6.276
  679    HD2  PHE  87           HD2      PHE  87   6.163  -7.043  -7.043
  680    HE1  PHE  87           HE1      PHE  87   7.106  -4.909  -4.909
  681    HE2  PHE  87           HE2      PHE  87   4.445  -5.665  -5.665
  682    HZ   PHE  87           HZ       PHE  87   4.893  -4.590  -4.590
  683    H    PHE  88           H        PHE  88  11.093  -8.737  -8.737
  684    HA   PHE  88           HA       PHE  88  11.625  -7.897  -7.897
  685   1HB   PHE  88          2HB       PHE  88  12.165 -10.478 -10.478
  686   2HB   PHE  88          1HB       PHE  88  12.186 -10.258 -10.258
  687    HD1  PHE  88           HD1      PHE  88   9.699  -8.062  -8.062
  688    HD2  PHE  88           HD2      PHE  88  10.454 -12.281 -12.281
  689    HE1  PHE  88           HE1      PHE  88   7.258  -8.438  -8.438
  690    HE2  PHE  88           HE2      PHE  88   8.028 -12.694 -12.694
  691    HZ   PHE  88           HZ       PHE  88   6.430 -10.807 -10.807
  692    H    GLU  89           H        GLU  89  13.999  -9.576  -9.576
  693    HA   GLU  89           HA       GLU  89  16.038  -7.869  -7.869
  694   1HB   GLU  89          2HB       GLU  89  15.408  -8.207  -8.207
  695   2HB   GLU  89          1HB       GLU  89  16.921  -9.079  -9.079
  696   1HG   GLU  89          2HG       GLU  89  17.944  -7.107  -7.107
  697   2HG   GLU  89          1HG       GLU  89  16.419  -6.227  -6.227
  698    H    HIS  90           H        HIS  90  14.834 -10.993 -10.993
  699    HA   HIS  90           HA       HIS  90  17.282 -12.095 -12.095
  700   1HB   HIS  90          2HB       HIS  90  17.356 -13.945 -13.945
  701   2HB   HIS  90          1HB       HIS  90  17.616 -12.378 -12.378
  702    HD1  HIS  90           HD1      HIS  90  15.935 -15.318 -15.318
  703    HD2  HIS  90           HD2      HIS  90  14.672 -11.346 -11.346
  704    HE1  HIS  90           HE1      HIS  90  13.862 -15.192 -15.192
  705    H    GLU  91           H        GLU  91  16.199 -12.724 -12.724
  706    HA   GLU  91           HA       GLU  91  13.731 -14.388 -14.388
  707   1HB   GLU  91          2HB       GLU  91  13.376 -13.679 -13.679
  708   2HB   GLU  91          1HB       GLU  91  13.349 -12.360 -12.360
  709   1HG   GLU  91          2HG       GLU  91  15.406 -11.531 -11.531
  710   2HG   GLU  91          1HG       GLU  91  15.965 -13.100 -13.100
  711   1H    MET   0          3H        MET   0   7.217  10.159  10.159
  712   2H    MET   0          2H        MET   0   8.641   9.993   9.993
  713   3H    MET   0          1H        MET   0   7.900  11.514  11.514
  714    HA   MET   0           HA       MET   0   8.453  11.653  11.653
  715   1HB   MET   0          2HB       MET   0  10.126  12.337  12.337
  716   2HB   MET   0          1HB       MET   0  10.680  10.671  10.671
  717   1HG   MET   0          2HG       MET   0  11.276  10.682  10.682
  718   2HG   MET   0          1HG       MET   0  10.892  12.403  12.403
  719   1HE   MET   0          2HE       MET   0  13.145   9.918   9.918
  720   2HE   MET   0          1HE       MET   0  14.146  11.200  11.200
  721   3HE   MET   0          3HE       MET   0  14.639  10.382  10.382
  722    H    SER   1           H        SER   1  10.444   8.909   8.909
  723    HA   SER   1           HA       SER   1  10.225   7.626   7.626
  724   1HB   SER   1          2HB       SER   1  11.604   7.107   7.107
  725   2HB   SER   1          1HB       SER   1  11.618   5.887   5.887
  726    HG   SER   1           HG       SER   1  12.829   7.160   7.160
  727    H    GLU   2           H        GLU   2   8.097   7.788   7.788
  728    HA   GLU   2           HA       GLU   2   7.245   5.370   5.370
  729   1HB   GLU   2          2HB       GLU   2   5.696   7.602   7.602
  730   2HB   GLU   2          1HB       GLU   2   4.893   6.275   6.275
  731   1HG   GLU   2          2HG       GLU   2   7.102   7.627   7.627
  732   2HG   GLU   2          1HG       GLU   2   5.615   8.551   8.551
  733    H    LEU   3           H        LEU   3   7.162   6.367   6.367
  734    HA   LEU   3           HA       LEU   3   5.493   4.188   4.188
  735   1HB   LEU   3          2HB       LEU   3   7.537   5.908   5.908
  736   2HB   LEU   3          1HB       LEU   3   6.218   5.014   5.014
  737    HG   LEU   3           HG       LEU   3   5.580   6.964   6.964
  738   1HD1  LEU   3          3HD1      LEU   3   6.484   7.600   7.600
  739   2HD1  LEU   3          2HD1      LEU   3   5.243   8.596   8.596
  740   3HD1  LEU   3          1HD1      LEU   3   6.836   8.452   8.452
  741   1HD2  LEU   3          2HD2      LEU   3   4.233   5.449   5.449
  742   2HD2  LEU   3          1HD2      LEU   3   3.566   6.151   6.151
  743   3HD2  LEU   3          3HD2      LEU   3   3.758   7.148   7.148
  744    H    GLU   4           H        GLU   4   9.036   4.755   4.755
  745    HA   GLU   4           HA       GLU   4   9.724   2.230   2.230
  746   1HB   GLU   4          2HB       GLU   4  11.332   4.016   4.016
  747   2HB   GLU   4          1HB       GLU   4  11.168   4.203   4.203
  748   1HG   GLU   4          2HG       GLU   4  11.874   1.495   1.495
  749   2HG   GLU   4          1HG       GLU   4  12.951   2.483   2.483
  750    H    LYS   5           H        LYS   5   9.104   3.298   3.298
  751    HA   LYS   5           HA       LYS   5   9.977   0.872   0.872
  752   1HB   LYS   5          2HB       LYS   5   7.946   2.956   2.956
  753   2HB   LYS   5          1HB       LYS   5   8.939   1.939   1.939
  754   1HG   LYS   5          2HG       LYS   5  10.974   3.024   3.024
  755   2HG   LYS   5          1HG       LYS   5   9.860   4.194   4.194
  756   1HD   LYS   5          2HD       LYS   5  10.351   5.321   5.321
  757   2HD   LYS   5          1HD       LYS   5   9.022   4.329   4.329
  758   1HE   LYS   5          2HE       LYS   5  10.441   3.408   3.408
  759   2HE   LYS   5          1HE       LYS   5  11.395   2.750   2.750
  760   1HZ   LYS   5          1HZ       LYS   5  11.600   5.536   5.536
  761   2HZ   LYS   5          3HZ       LYS   5  12.683   4.293   4.293
  762   3HZ   LYS   5          2HZ       LYS   5  12.556   4.828   4.828
  763    H    ALA   6           H        ALA   6   6.973   2.033   2.033
  764    HA   ALA   6           HA       ALA   6   5.349  -0.192  -0.192
  765   1HB   ALA   6          2HB       ALA   6   4.655   2.194   2.194
  766   2HB   ALA   6          1HB       ALA   6   4.842   1.576   1.576
  767   3HB   ALA   6          3HB       ALA   6   3.655   0.851   0.851
  768    H    VAL   7           H        VAL   7   7.247   0.647   0.647
  769    HA   VAL   7           HA       VAL   7   6.536  -1.460  -1.460
  770    HB   VAL   7           HB       VAL   7   8.778   0.433   0.433
  771   1HG1  VAL   7          3HG1      VAL   7   9.101  -2.143  -2.143
  772   2HG1  VAL   7          2HG1      VAL   7   9.852  -0.710  -0.710
  773   3HG1  VAL   7          1HG1      VAL   7  10.275  -1.215  -1.215
  774   1HG2  VAL   7          3HG2      VAL   7   6.829  -0.182  -0.182
  775   2HG2  VAL   7          2HG2      VAL   7   7.261   1.372   1.372
  776   3HG2  VAL   7          1HG2      VAL   7   8.343   0.607   0.607
  777    H    VAL   8           H        VAL   8   9.026  -1.237  -1.237
  778    HA   VAL   8           HA       VAL   8  10.050  -3.897  -3.897
  779    HB   VAL   8           HB       VAL   8   9.935  -1.782  -1.782
  780   1HG1  VAL   8          3HG1      VAL   8  10.933  -4.631  -4.631
  781   2HG1  VAL   8          2HG1      VAL   8  11.431  -3.316  -3.316
  782   3HG1  VAL   8          1HG1      VAL   8   9.738  -3.805  -3.805
  783   1HG2  VAL   8          1HG2      VAL   8  11.547  -1.904  -1.904
  784   2HG2  VAL   8          3HG2      VAL   8  12.247  -1.590  -1.590
  785   3HG2  VAL   8          2HG2      VAL   8  12.334  -3.208  -3.208
  786    H    ALA   9           H        ALA   9   7.349  -2.499  -2.499
  787    HA   ALA   9           HA       ALA   9   6.598  -4.815  -4.815
  788   1HB   ALA   9          1HB       ALA   9   5.011  -2.476  -2.476
  789   2HB   ALA   9          3HB       ALA   9   4.403  -3.595  -3.595
  790   3HB   ALA   9          2HB       ALA   9   5.781  -2.558  -2.558
  791    H    LEU  10           H        LEU  10   5.758  -3.696  -3.696
  792    HA   LEU  10           HA       LEU  10   3.790  -5.743  -5.743
  793   1HB   LEU  10          2HB       LEU  10   5.531  -4.896  -4.896
  794   2HB   LEU  10          1HB       LEU  10   3.784  -4.879  -4.879
  795    HG   LEU  10           HG       LEU  10   5.674  -2.817  -2.817
  796   1HD1  LEU  10          1HD1      LEU  10   3.919  -2.994  -2.994
  797   2HD1  LEU  10          3HD1      LEU  10   3.998  -1.438  -1.438
  798   3HD1  LEU  10          2HD1      LEU  10   5.469  -2.179  -2.179
  799   1HD2  LEU  10          2HD2      LEU  10   3.653  -3.321  -3.321
  800   2HD2  LEU  10          1HD2      LEU  10   3.721  -1.665  -1.665
  801   3HD2  LEU  10          3HD2      LEU  10   2.643  -2.838  -2.838
  802    H    ILE  11           H        ILE  11   7.307  -5.478  -5.478
  803    HA   ILE  11           HA       ILE  11   7.672  -7.849  -7.849
  804    HB   ILE  11           HB       ILE  11   9.915  -7.568  -7.568
  805   1HG1  ILE  11          2HG1      ILE  11  10.731  -6.751  -6.751
  806   2HG1  ILE  11          1HG1      ILE  11   9.158  -7.365  -7.365
  807   1HG2  ILE  11          1HG2      ILE  11   8.961  -5.291  -5.291
  808   2HG2  ILE  11          3HG2      ILE  11   8.988  -5.052  -5.052
  809   3HG2  ILE  11          2HG2      ILE  11  10.497  -5.280  -5.280
  810   1HD1  ILE  11          2HD1      ILE  11   9.868  -9.457  -9.457
  811   2HD1  ILE  11          1HD1      ILE  11  11.491  -8.854  -8.854
  812   3HD1  ILE  11          3HD1      ILE  11  10.430  -9.299  -9.299
  813    H    ASP  12           H        ASP  12   6.959  -7.328  -7.328
  814    HA   ASP  12           HA       ASP  12   7.364 -10.109 -10.109
  815   1HB   ASP  12          2HB       ASP  12   7.048  -7.538  -7.538
  816   2HB   ASP  12          1HB       ASP  12   5.619  -8.452  -8.452
  817    H    VAL  13           H        VAL  13   4.831  -7.984  -7.984
  818    HA   VAL  13           HA       VAL  13   2.608  -9.793  -9.793
  819    HB   VAL  13           HB       VAL  13   3.006  -7.351  -7.351
  820   1HG1  VAL  13          3HG1      VAL  13   1.050  -9.169  -9.169
  821   2HG1  VAL  13          2HG1      VAL  13   0.310  -8.217  -8.217
  822   3HG1  VAL  13          1HG1      VAL  13   0.793  -7.438  -7.438
  823   1HG2  VAL  13          1HG2      VAL  13   3.234  -7.054  -7.054
  824   2HG2  VAL  13          3HG2      VAL  13   1.879  -6.163  -6.163
  825   3HG2  VAL  13          2HG2      VAL  13   1.590  -7.670  -7.670
  826    H    PHE  14           H        PHE  14   4.026  -8.650  -8.650
  827    HA   PHE  14           HA       PHE  14   2.700 -10.742 -10.742
  828   1HB   PHE  14          2HB       PHE  14   4.759  -8.773  -8.773
  829   2HB   PHE  14          1HB       PHE  14   5.196 -10.431 -10.431
  830    HD1  PHE  14           HD2      PHE  14   1.893  -8.776  -8.776
  831    HD2  PHE  14           HD1      PHE  14   4.492 -10.897 -10.897
  832    HE1  PHE  14           HE2      PHE  14   0.131  -8.794  -8.794
  833    HE2  PHE  14           HE1      PHE  14   2.719 -10.893 -10.893
  834    HZ   PHE  14           HZ       PHE  14   0.552  -9.817  -9.817
  835    H    HIS  15           H        HIS  15   5.669 -10.773 -10.773
  836    HA   HIS  15           HA       HIS  15   6.791 -13.254 -13.254
  837   1HB   HIS  15          2HB       HIS  15   7.850 -11.867 -11.867
  838   2HB   HIS  15          1HB       HIS  15   6.405 -11.824 -11.824
  839    HD1  HIS  15           HD1      HIS  15   9.191 -14.146 -14.146
  840    HD2  HIS  15           HD2      HIS  15   6.149 -13.987 -13.987
  841    HE1  HIS  15           HE1      HIS  15   9.590 -16.082 -16.082
  842    H    GLN  16           H        GLN  16   4.218 -12.643 -12.643
  843    HA   GLN  16           HA       GLN  16   3.609 -15.462 -15.462
  844   1HB   GLN  16          2HB       GLN  16   2.092 -12.899 -12.899
  845   2HB   GLN  16          1HB       GLN  16   1.728 -14.488 -14.488
  846   1HG   GLN  16          2HG       GLN  16   3.828 -14.580 -14.580
  847   2HG   GLN  16          1HG       GLN  16   4.433 -13.166 -13.166
  848   1HE2  GLN  16          2HE2      GLN  16   1.329 -12.186 -12.186
  849   2HE2  GLN  16          1HE2      GLN  16   1.126 -13.390 -13.390
  850    H    TYR  17           H        TYR  17   1.488 -12.858 -12.858
  851    HA   TYR  17           HA       TYR  17  -0.547 -14.210 -14.210
  852   1HB   TYR  17          2HB       TYR  17   1.021 -11.746 -11.746
  853   2HB   TYR  17          1HB       TYR  17  -0.318 -12.240 -12.240
  854    HD1  TYR  17           HD2      TYR  17  -2.618 -12.332 -12.332
  855    HD2  TYR  17           HD1      TYR  17   0.652 -11.022 -11.022
  856    HE1  TYR  17           HE2      TYR  17  -4.229 -11.420 -11.420
  857    HE2  TYR  17           HE1      TYR  17  -0.959 -10.094 -10.094
  858    HH   TYR  17           HH       TYR  17  -3.549 -10.744 -10.744
  859    H    SER  18           H        SER  18   2.042 -13.029 -13.029
  860    HA   SER  18           HA       SER  18   1.437 -14.951 -14.951
  861   1HB   SER  18          2HB       SER  18   4.037 -13.993 -13.993
  862   2HB   SER  18          1HB       SER  18   2.560 -13.264 -13.264
  863    HG   SER  18           HG       SER  18   4.197 -12.492 -12.492
  864    H    GLY  19           H        GLY  19   2.936 -15.503 -15.503
  865   1HA   GLY  19          2HA       GLY  19   4.112 -18.008 -18.008
  866   2HA   GLY  19          1HA       GLY  19   5.212 -16.918 -16.918
  867    H    ARG  20           H        ARG  20   1.827 -17.927 -17.927
  868    HA   ARG  20           HA       ARG  20   2.768 -18.697 -18.697
  869   1HB   ARG  20          2HB       ARG  20   0.381 -18.103 -18.103
  870   2HB   ARG  20          1HB       ARG  20   1.349 -16.745 -16.745
  871   1HG   ARG  20          2HG       ARG  20   0.364 -16.908 -16.908
  872   2HG   ARG  20          1HG       ARG  20  -0.515 -18.366 -18.366
  873   1HD   ARG  20          2HD       ARG  20  -0.897 -15.610 -15.610
  874   2HD   ARG  20          1HD       ARG  20  -2.026 -16.428 -16.428
  875    HE   ARG  20           HE       ARG  20  -1.614 -18.292 -18.292
  876   1HH1  ARG  20          2HH1      ARG  20  -1.110 -16.156 -16.156
  877   2HH1  ARG  20          1HH1      ARG  20  -2.700 -15.716 -15.716
  878   1HH2  ARG  20          1HH2      ARG  20  -4.300 -17.220 -17.220
  879   2HH2  ARG  20          2HH2      ARG  20  -4.507 -16.319 -16.319
  880    H    GLU  21           H        GLU  21   0.667 -19.547 -19.547
  881    HA   GLU  21           HA       GLU  21   0.331 -22.274 -22.274
  882   1HB   GLU  21          2HB       GLU  21  -1.561 -20.296 -20.296
  883   2HB   GLU  21          1HB       GLU  21  -1.690 -21.632 -21.632
  884   1HG   GLU  21          2HG       GLU  21  -1.406 -22.572 -22.572
  885   2HG   GLU  21          1HG       GLU  21  -2.826 -21.545 -21.545
  886    H    GLY  22           H        GLY  22  -0.298 -20.862 -20.862
  887   1HA   GLY  22          2HA       GLY  22   1.587 -22.880 -22.880
  888   2HA   GLY  22          1HA       GLY  22   0.039 -22.513 -22.513
  889    H    ASP  23           H        ASP  23   0.905 -21.671 -21.671
  890    HA   ASP  23           HA       ASP  23   1.979 -20.090 -20.090
  891   1HB   ASP  23          2HB       ASP  23   0.204 -18.952 -18.952
  892   2HB   ASP  23          1HB       ASP  23   1.615 -17.893 -17.893
  893    H    LYS  24           H        LYS  24   3.573 -17.986 -17.986
  894    HA   LYS  24           HA       LYS  24   5.722 -18.782 -18.782
  895   1HB   LYS  24          2HB       LYS  24   6.190 -19.517 -19.517
  896   2HB   LYS  24          1HB       LYS  24   5.990 -17.856 -17.856
  897   1HG   LYS  24          2HG       LYS  24   7.805 -17.581 -17.581
  898   2HG   LYS  24          1HG       LYS  24   8.286 -19.110 -19.110
  899   1HD   LYS  24          2HD       LYS  24   7.892 -17.640 -17.640
  900   2HD   LYS  24          1HD       LYS  24   8.372 -16.360 -16.360
  901   1HE   LYS  24          2HE       LYS  24  10.473 -17.051 -17.051
  902   2HE   LYS  24          1HE       LYS  24  10.263 -18.161 -18.161
  903   1HZ   LYS  24          1HZ       LYS  24   9.184 -18.830 -18.830
  904   2HZ   LYS  24          3HZ       LYS  24  10.804 -19.159 -19.159
  905   3HZ   LYS  24          2HZ       LYS  24   9.562 -19.871 -19.871
  906    H    HIS  25           H        HIS  25   5.181 -16.122 -16.122
  907    HA   HIS  25           HA       HIS  25   5.383 -14.188 -14.188
  908   1HB   HIS  25          2HB       HIS  25   7.092 -14.596 -14.596
  909   2HB   HIS  25          1HB       HIS  25   6.629 -12.919 -12.919
  910    HD1  HIS  25           HD1      HIS  25   9.547 -13.656 -13.656
  911    HD2  HIS  25           HD2      HIS  25   6.661 -13.857 -13.857
  912    HE1  HIS  25           HE1      HIS  25  10.792 -13.522 -13.522
  913    H    LYS  26           H        LYS  26   2.900 -14.744 -14.744
  914    HA   LYS  26           HA       LYS  26   2.126 -12.298 -12.298
  915   1HB   LYS  26          2HB       LYS  26   1.858 -15.119 -15.119
  916   2HB   LYS  26          1HB       LYS  26   0.586 -13.967 -13.967
  917   1HG   LYS  26          2HG       LYS  26   1.888 -13.139 -13.139
  918   2HG   LYS  26          1HG       LYS  26   3.074 -12.654 -12.654
  919   1HD   LYS  26          2HD       LYS  26   3.316 -15.462 -15.462
  920   2HD   LYS  26          1HD       LYS  26   3.265 -14.759 -14.759
  921   1HE   LYS  26          2HE       LYS  26   5.223 -14.161 -14.161
  922   2HE   LYS  26          1HE       LYS  26   5.572 -14.689 -14.689
  923   1HZ   LYS  26          3HZ       LYS  26   4.156 -12.534 -12.534
  924   2HZ   LYS  26          2HZ       LYS  26   4.790 -12.048 -12.048
  925   3HZ   LYS  26          1HZ       LYS  26   5.834 -12.468 -12.468
  926    H    LEU  27           H        LEU  27  -0.384 -12.199 -12.199
  927    HA   LEU  27           HA       LEU  27  -1.540 -13.481 -13.481
  928   1HB   LEU  27          2HB       LEU  27  -0.687 -10.948 -10.948
  929   2HB   LEU  27          1HB       LEU  27  -2.284 -10.702 -10.702
  930    HG   LEU  27           HG       LEU  27  -2.111 -10.425 -10.425
  931   1HD1  LEU  27          1HD1      LEU  27  -3.999 -12.217 -12.217
  932   2HD1  LEU  27          3HD1      LEU  27  -4.106 -12.171 -12.171
  933   3HD1  LEU  27          2HD1      LEU  27  -4.307 -10.688 -10.688
  934   1HD2  LEU  27          1HD2      LEU  27  -0.553 -12.404 -12.404
  935   2HD2  LEU  27          3HD2      LEU  27  -1.917 -12.359 -12.359
  936   3HD2  LEU  27          2HD2      LEU  27  -1.954 -13.446 -13.446
  937    H    LYS  28           H        LYS  28  -3.280 -14.688 -14.688
  938    HA   LYS  28           HA       LYS  28  -4.621 -13.998 -13.998
  939   1HB   LYS  28          2HB       LYS  28  -3.753 -16.317 -16.317
  940   2HB   LYS  28          1HB       LYS  28  -5.409 -16.328 -16.328
  941   1HG   LYS  28          2HG       LYS  28  -5.698 -15.523 -15.523
  942   2HG   LYS  28          1HG       LYS  28  -4.438 -16.756 -16.756
  943   1HD   LYS  28          2HD       LYS  28  -6.993 -17.191 -17.191
  944   2HD   LYS  28          1HD       LYS  28  -6.869 -17.579 -17.579
  945   1HE   LYS  28          2HE       LYS  28  -4.605 -18.617 -18.617
  946   2HE   LYS  28          1HE       LYS  28  -6.168 -19.298 -19.298
  947   1HZ   LYS  28          2HZ       LYS  28  -6.609 -19.442 -19.442
  948   2HZ   LYS  28          1HZ       LYS  28  -4.926 -19.287 -19.287
  949   3HZ   LYS  28          3HZ       LYS  28  -5.569 -20.598 -20.598
  950    H    LYS  29           H        LYS  29  -7.075 -14.308 -14.308
  951    HA   LYS  29           HA       LYS  29  -8.450 -12.394 -12.394
  952   1HB   LYS  29          2HB       LYS  29  -9.373 -15.100 -15.100
  953   2HB   LYS  29          1HB       LYS  29 -10.458 -13.781 -13.781
  954   1HG   LYS  29          2HG       LYS  29  -9.454 -12.348 -12.348
  955   2HG   LYS  29          1HG       LYS  29  -8.293 -13.612 -13.612
  956   1HD   LYS  29          2HD       LYS  29  -9.827 -14.842 -14.842
  957   2HD   LYS  29          1HD       LYS  29 -11.141 -14.431 -14.431
  958   1HE   LYS  29          2HE       LYS  29 -11.857 -12.807 -12.807
  959   2HE   LYS  29          1HE       LYS  29 -10.251 -12.053 -12.053
  960   1HZ   LYS  29          1HZ       LYS  29 -11.035 -14.429 -14.429
  961   2HZ   LYS  29          3HZ       LYS  29 -10.836 -12.858 -12.858
  962   3HZ   LYS  29          2HZ       LYS  29  -9.500 -13.703 -13.703
  963    H    SER  30           H        SER  30  -8.551 -15.900 -15.900
  964    HA   SER  30           HA       SER  30  -9.890 -15.810 -15.810
  965   1HB   SER  30          2HB       SER  30  -7.629 -17.502 -17.502
  966   2HB   SER  30          1HB       SER  30  -8.368 -17.850 -17.850
  967    HG   SER  30           HG       SER  30 -10.007 -17.419 -17.419
  968    H    GLU  31           H        GLU  31  -6.377 -15.412 -15.412
  969    HA   GLU  31           HA       GLU  31  -5.708 -14.978 -14.978
  970   1HB   GLU  31          2HB       GLU  31  -4.281 -13.918 -13.918
  971   2HB   GLU  31          1HB       GLU  31  -3.567 -14.390 -14.390
  972   1HG   GLU  31          2HG       GLU  31  -4.676 -16.727 -16.727
  973   2HG   GLU  31          1HG       GLU  31  -4.590 -16.121 -16.121
  974    H    LEU  32           H        LEU  32  -6.200 -12.747 -12.747
  975    HA   LEU  32           HA       LEU  32  -5.810 -10.279 -10.279
  976   1HB   LEU  32          2HB       LEU  32  -6.546 -11.027 -11.027
  977   2HB   LEU  32          1HB       LEU  32  -8.179 -10.779 -10.779
  978    HG   LEU  32           HG       LEU  32  -7.502  -8.473  -8.473
  979   1HD1  LEU  32          1HD1      LEU  32  -4.944  -9.372  -9.372
  980   2HD1  LEU  32          3HD1      LEU  32  -5.375  -7.664  -7.664
  981   3HD1  LEU  32          2HD1      LEU  32  -5.163  -8.556  -8.556
  982   1HD2  LEU  32          2HD2      LEU  32  -8.219  -9.395  -9.395
  983   2HD2  LEU  32          1HD2      LEU  32  -8.207  -7.703  -7.703
  984   3HD2  LEU  32          3HD2      LEU  32  -6.812  -8.387  -8.387
  985    H    LYS  33           H        LYS  33  -8.878 -12.144 -12.144
  986    HA   LYS  33           HA       LYS  33 -10.494 -10.451 -10.451
  987   1HB   LYS  33          2HB       LYS  33 -10.842 -12.794 -12.794
  988   2HB   LYS  33          1HB       LYS  33 -10.513 -13.427 -13.427
  989   1HG   LYS  33          2HG       LYS  33 -12.795 -13.142 -13.142
  990   2HG   LYS  33          1HG       LYS  33 -12.272 -11.535 -11.535
  991   1HD   LYS  33          2HD       LYS  33 -13.898 -11.060 -11.060
  992   2HD   LYS  33          1HD       LYS  33 -12.393 -10.959 -10.959
  993   1HE   LYS  33          2HE       LYS  33 -12.730 -13.089 -13.089
  994   2HE   LYS  33          1HE       LYS  33 -13.972 -13.540 -13.540
  995   1HZ   LYS  33          1HZ       LYS  33 -15.059 -11.333 -11.333
  996   2HZ   LYS  33          3HZ       LYS  33 -14.152 -11.680 -11.680
  997   3HZ   LYS  33          2HZ       LYS  33 -15.294 -12.802 -12.802
  998    H    GLU  34           H        GLU  34  -8.378 -13.110 -13.110
  999    HA   GLU  34           HA       GLU  34  -8.751 -12.734 -12.734
 1000   1HB   GLU  34          2HB       GLU  34  -7.158 -14.236 -14.236
 1001   2HB   GLU  34          1HB       GLU  34  -6.017 -13.397 -13.397
 1002   1HG   GLU  34          2HG       GLU  34  -6.720 -14.525 -14.525
 1003   2HG   GLU  34          1HG       GLU  34  -8.389 -14.625 -14.625
 1004    H    LEU  35           H        LEU  35  -6.369 -11.266 -11.266
 1005    HA   LEU  35           HA       LEU  35  -4.870  -9.764  -9.764
 1006   1HB   LEU  35          2HB       LEU  35  -4.934 -10.130 -10.130
 1007   2HB   LEU  35          1HB       LEU  35  -5.598  -8.498  -8.498
 1008    HG   LEU  35           HG       LEU  35  -3.208  -9.064  -9.064
 1009   1HD1  LEU  35          1HD1      LEU  35  -2.712 -10.155 -10.155
 1010   2HD1  LEU  35          3HD1      LEU  35  -2.977  -8.592  -8.592
 1011   3HD1  LEU  35          2HD1      LEU  35  -1.651  -8.797  -8.797
 1012   1HD2  LEU  35          3HD2      LEU  35  -4.574  -6.870  -6.870
 1013   2HD2  LEU  35          2HD2      LEU  35  -2.813  -6.781  -6.781
 1014   3HD2  LEU  35          1HD2      LEU  35  -3.695  -6.736  -6.736
 1015    H    ILE  36           H        ILE  36  -8.025  -9.022  -9.022
 1016    HA   ILE  36           HA       ILE  36  -8.124  -6.385  -6.385
 1017    HB   ILE  36           HB       ILE  36  -9.826  -8.033  -8.033
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.475  -6.202  -6.202
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.930  -5.149  -5.149
 1020   1HG2  ILE  36          2HG2      ILE  36 -10.719  -5.855  -5.855
 1021   2HG2  ILE  36          1HG2      ILE  36 -11.280  -5.777  -5.777
 1022   3HG2  ILE  36          3HG2      ILE  36 -11.638  -7.195  -7.195
 1023   1HD1  ILE  36          1HD1      ILE  36  -6.959  -6.624  -6.624
 1024   2HD1  ILE  36          3HD1      ILE  36  -7.487  -7.609  -7.609
 1025   3HD1  ILE  36          2HD1      ILE  36  -7.001  -5.933  -5.933
 1026    H    ASN  37           H        ASN  37  -9.442  -9.638  -9.638
 1027    HA   ASN  37           HA       ASN  37 -11.330  -8.900  -8.900
 1028   1HB   ASN  37          2HB       ASN  37 -10.124 -11.558 -11.558
 1029   2HB   ASN  37          1HB       ASN  37 -11.611 -11.296 -11.296
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.981 -11.812 -11.812
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.489 -12.665 -12.665
 1032    H    ASN  38           H        ASN  38  -7.970  -9.959  -9.959
 1033    HA   ASN  38           HA       ASN  38  -7.795 -10.519 -10.519
 1034   1HB   ASN  38          2HB       ASN  38  -5.804 -10.187 -10.187
 1035   2HB   ASN  38          1HB       ASN  38  -5.337 -10.652 -10.652
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.791 -13.975 -13.975
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.642 -12.794 -12.794
 1038    H    GLU  39           H        GLU  39  -7.756  -7.722  -7.722
 1039    HA   GLU  39           HA       GLU  39  -6.331  -6.108  -6.108
 1040   1HB   GLU  39          2HB       GLU  39  -5.844  -4.593  -4.593
 1041   2HB   GLU  39          1HB       GLU  39  -5.365  -6.230  -6.230
 1042   1HG   GLU  39          2HG       GLU  39  -7.537  -6.518  -6.518
 1043   2HG   GLU  39          1HG       GLU  39  -7.937  -4.845  -4.845
 1044    H    LEU  40           H        LEU  40  -9.119  -6.145  -6.145
 1045    HA   LEU  40           HA       LEU  40 -10.435  -4.062  -4.062
 1046   1HB   LEU  40          2HB       LEU  40 -10.757  -4.793  -4.793
 1047   2HB   LEU  40          1HB       LEU  40 -11.654  -3.517  -3.517
 1048    HG   LEU  40           HG       LEU  40  -8.724  -3.375  -3.375
 1049   1HD1  LEU  40          2HD1      LEU  40  -9.148  -4.163  -4.163
 1050   2HD1  LEU  40          1HD1      LEU  40  -9.872  -2.573  -2.573
 1051   3HD1  LEU  40          3HD1      LEU  40  -8.177  -2.708  -2.708
 1052   1HD2  LEU  40          3HD2      LEU  40 -11.030  -1.522  -1.522
 1053   2HD2  LEU  40          2HD2      LEU  40  -9.943  -1.533  -1.533
 1054   3HD2  LEU  40          1HD2      LEU  40  -9.368  -0.961  -0.961
 1055    H    SER  41           H        SER  41 -10.944  -6.246  -6.246
 1056    HA   SER  41           HA       SER  41 -12.614  -8.287  -8.287
 1057   1HB   SER  41          2HB       SER  41 -12.235  -8.490  -8.490
 1058   2HB   SER  41          1HB       SER  41 -12.109  -6.748  -6.748
 1059    HG   SER  41           HG       SER  41 -14.051  -8.170  -8.170
 1060    H    HIS  42           H        HIS  42 -13.746  -5.057  -5.057
 1061    HA   HIS  42           HA       HIS  42 -16.484  -5.289  -5.289
 1062   1HB   HIS  42          2HB       HIS  42 -14.491  -3.134  -3.134
 1063   2HB   HIS  42          1HB       HIS  42 -16.212  -2.856  -2.856
 1064    HD1  HIS  42           HD1      HIS  42 -16.500  -1.190  -1.190
 1065    HD2  HIS  42           HD2      HIS  42 -14.971  -4.882  -4.882
 1066    HE1  HIS  42           HE1      HIS  42 -16.598  -1.222  -1.222
 1067    H    PHE  43           H        PHE  43 -14.150  -4.642  -4.642
 1068    HA   PHE  43           HA       PHE  43 -16.040  -4.505  -4.505
 1069   1HB   PHE  43          2HB       PHE  43 -13.142  -4.855  -4.855
 1070   2HB   PHE  43          1HB       PHE  43 -13.745  -5.521  -5.521
 1071    HD1  PHE  43           HD2      PHE  43 -16.094  -3.500  -3.500
 1072    HD2  PHE  43           HD1      PHE  43 -11.928  -3.021  -3.021
 1073    HE1  PHE  43           HE2      PHE  43 -16.091  -1.234  -1.234
 1074    HE2  PHE  43           HE1      PHE  43 -11.957  -0.741  -0.741
 1075    HZ   PHE  43           HZ       PHE  43 -14.046   0.151   0.151
 1076    H    LEU  44           H        LEU  44 -14.814  -7.236  -7.236
 1077    HA   LEU  44           HA       LEU  44 -14.981  -9.391  -9.391
 1078   1HB   LEU  44          2HB       LEU  44 -14.566  -9.235  -9.235
 1079   2HB   LEU  44          1HB       LEU  44 -16.321  -9.346  -9.346
 1080    HG   LEU  44           HG       LEU  44 -16.315 -11.468 -11.468
 1081   1HD1  LEU  44          2HD1      LEU  44 -13.693 -10.499 -10.499
 1082   2HD1  LEU  44          1HD1      LEU  44 -13.580 -12.135 -12.135
 1083   3HD1  LEU  44          3HD1      LEU  44 -14.634 -11.809 -11.809
 1084   1HD2  LEU  44          3HD2      LEU  44 -15.219 -11.011 -11.011
 1085   2HD2  LEU  44          2HD2      LEU  44 -15.851 -12.539 -12.539
 1086   3HD2  LEU  44          1HD2      LEU  44 -14.132 -12.171 -12.171
 1087    H    GLU  45           H        GLU  45 -17.458  -7.338  -7.338
 1088    HA   GLU  45           HA       GLU  45 -19.683  -8.953  -8.953
 1089   1HB   GLU  45          2HB       GLU  45 -19.163  -6.911  -6.911
 1090   2HB   GLU  45          1HB       GLU  45 -20.498  -6.411  -6.411
 1091   1HG   GLU  45          2HG       GLU  45 -21.877  -7.853  -7.853
 1092   2HG   GLU  45          1HG       GLU  45 -20.813  -9.196  -9.196
 1093    H    GLU  46           H        GLU  46 -17.866  -6.000  -6.000
 1094    HA   GLU  46           HA       GLU  46 -17.806  -4.685  -4.685
 1095   1HB   GLU  46          2HB       GLU  46 -18.137  -7.235  -7.235
 1096   2HB   GLU  46          1HB       GLU  46 -19.695  -6.616  -6.616
 1097   1HG   GLU  46          2HG       GLU  46 -18.414  -6.204  -6.204
 1098   2HG   GLU  46          1HG       GLU  46 -18.176  -4.685  -4.685
 1099    H    ILE  47           H        ILE  47 -21.107  -6.113  -6.113
 1100    HA   ILE  47           HA       ILE  47 -22.759  -4.185  -4.185
 1101    HB   ILE  47           HB       ILE  47 -23.222  -6.306  -6.306
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.995  -4.836  -4.836
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.460  -5.501  -5.501
 1104   1HG2  ILE  47          2HG2      ILE  47 -23.033  -4.177  -4.177
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.729  -5.782  -5.782
 1106   3HG2  ILE  47          3HG2      ILE  47 -22.019  -5.610  -5.610
 1107   1HD1  ILE  47          2HD1      ILE  47 -24.228  -3.225  -3.225
 1108   2HD1  ILE  47          1HD1      ILE  47 -24.852  -2.699  -2.699
 1109   3HD1  ILE  47          3HD1      ILE  47 -25.957  -3.320  -3.320
 1110    H    LYS  48           H        LYS  48 -20.699  -3.927  -3.927
 1111    HA   LYS  48           HA       LYS  48 -21.539  -1.757  -1.757
 1112   1HB   LYS  48          2HB       LYS  48 -18.894  -2.741  -2.741
 1113   2HB   LYS  48          1HB       LYS  48 -18.928  -1.179  -1.179
 1114   1HG   LYS  48          2HG       LYS  48 -18.479  -2.950  -2.950
 1115   2HG   LYS  48          1HG       LYS  48 -20.063  -2.242  -2.242
 1116   1HD   LYS  48          2HD       LYS  48 -21.149  -4.088  -4.088
 1117   2HD   LYS  48          1HD       LYS  48 -19.572  -4.793  -4.793
 1118   1HE   LYS  48          2HE       LYS  48 -20.589  -5.904  -5.904
 1119   2HE   LYS  48          1HE       LYS  48 -19.134  -5.009  -5.009
 1120   1HZ   LYS  48          3HZ       LYS  48 -21.613  -3.491  -3.491
 1121   2HZ   LYS  48          2HZ       LYS  48 -21.497  -4.654  -4.654
 1122   3HZ   LYS  48          1HZ       LYS  48 -20.330  -3.424  -3.424
 1123    H    GLU  49           H        GLU  49 -20.515  -1.796  -1.796
 1124    HA   GLU  49           HA       GLU  49 -21.336   1.029   1.029
 1125   1HB   GLU  49          2HB       GLU  49 -19.011   1.200   1.200
 1126   2HB   GLU  49          1HB       GLU  49 -19.101   1.462   1.462
 1127   1HG   GLU  49          2HG       GLU  49 -18.778  -1.371  -1.371
 1128   2HG   GLU  49          1HG       GLU  49 -17.421  -0.346  -0.346
 1129    H    GLN  50           H        GLN  50 -22.957   0.281   0.281
 1130    HA   GLN  50           HA       GLN  50 -22.808  -1.672  -1.672
 1131   1HB   GLN  50          2HB       GLN  50 -24.206   0.986   0.986
 1132   2HB   GLN  50          1HB       GLN  50 -24.448  -0.016  -0.016
 1133   1HG   GLN  50          2HG       GLN  50 -24.921  -0.875  -0.875
 1134   2HG   GLN  50          1HG       GLN  50 -26.172  -0.509  -0.509
 1135   1HE2  GLN  50          2HE2      GLN  50 -25.497  -3.513  -3.513
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.899  -1.878  -1.878
 1137    H    GLU  51           H        GLU  51 -22.572   1.774   1.774
 1138    HA   GLU  51           HA       GLU  51 -21.498   1.583   1.583
 1139   1HB   GLU  51          2HB       GLU  51 -22.077   3.663   3.663
 1140   2HB   GLU  51          1HB       GLU  51 -20.642   3.480   3.480
 1141   1HG   GLU  51          2HG       GLU  51 -19.384   3.344   3.344
 1142   2HG   GLU  51          1HG       GLU  51 -20.826   4.157   4.157
 1143    H    VAL  52           H        VAL  52 -19.684   1.157   1.157
 1144    HA   VAL  52           HA       VAL  52 -17.096   0.973   0.973
 1145    HB   VAL  52           HB       VAL  52 -18.058   0.093   0.093
 1146   1HG1  VAL  52          2HG1      VAL  52 -15.500  -0.108  -0.108
 1147   2HG1  VAL  52          1HG1      VAL  52 -15.367   0.903   0.903
 1148   3HG1  VAL  52          3HG1      VAL  52 -15.974  -0.747  -0.747
 1149   1HG2  VAL  52          2HG2      VAL  52 -16.823   2.680   2.680
 1150   2HG2  VAL  52          1HG2      VAL  52 -18.463   2.472   2.472
 1151   3HG2  VAL  52          3HG2      VAL  52 -17.084   2.286   2.286
 1152    H    VAL  53           H        VAL  53 -19.436  -1.369  -1.369
 1153    HA   VAL  53           HA       VAL  53 -18.085  -3.789  -3.789
 1154    HB   VAL  53           HB       VAL  53 -20.974  -3.012  -3.012
 1155   1HG1  VAL  53          2HG1      VAL  53 -20.196  -5.198  -5.198
 1156   2HG1  VAL  53          1HG1      VAL  53 -19.891  -5.773  -5.773
 1157   3HG1  VAL  53          3HG1      VAL  53 -21.528  -5.344  -5.344
 1158   1HG2  VAL  53          2HG2      VAL  53 -19.636  -2.908  -2.908
 1159   2HG2  VAL  53          1HG2      VAL  53 -21.363  -3.235  -3.235
 1160   3HG2  VAL  53          3HG2      VAL  53 -20.224  -4.571  -4.571
 1161    H    ASP  54           H        ASP  54 -19.429  -1.508  -1.508
 1162    HA   ASP  54           HA       ASP  54 -19.159  -3.196  -3.196
 1163   1HB   ASP  54          2HB       ASP  54 -20.811  -1.536  -1.536
 1164   2HB   ASP  54          1HB       ASP  54 -19.823  -0.344  -0.344
 1165    H    LYS  55           H        LYS  55 -17.361  -0.553  -0.553
 1166    HA   LYS  55           HA       LYS  55 -15.222  -0.460  -0.460
 1167   1HB   LYS  55          2HB       LYS  55 -15.822   0.590   0.590
 1168   2HB   LYS  55          1HB       LYS  55 -14.165   0.695   0.695
 1169   1HG   LYS  55          2HG       LYS  55 -15.031   2.691   2.691
 1170   2HG   LYS  55          1HG       LYS  55 -15.349   1.626   1.626
 1171   1HD   LYS  55          2HD       LYS  55 -17.635   1.227   1.227
 1172   2HD   LYS  55          1HD       LYS  55 -17.319   2.331   2.331
 1173   1HE   LYS  55          2HE       LYS  55 -17.561   4.184   4.184
 1174   2HE   LYS  55          1HE       LYS  55 -16.721   3.434   3.434
 1175   1HZ   LYS  55          1HZ       LYS  55 -19.263   2.250   2.250
 1176   2HZ   LYS  55          3HZ       LYS  55 -19.348   3.772   3.772
 1177   3HZ   LYS  55          2HZ       LYS  55 -18.602   2.474   2.474
 1178    H    VAL  56           H        VAL  56 -15.183  -1.522  -1.522
 1179    HA   VAL  56           HA       VAL  56 -12.750  -2.838  -2.838
 1180    HB   VAL  56           HB       VAL  56 -15.501  -3.531  -3.531
 1181   1HG1  VAL  56          3HG1      VAL  56 -12.966  -5.024  -5.024
 1182   2HG1  VAL  56          2HG1      VAL  56 -13.690  -4.658  -4.658
 1183   3HG1  VAL  56          1HG1      VAL  56 -14.611  -5.554  -5.554
 1184   1HG2  VAL  56          3HG2      VAL  56 -13.874  -1.425  -1.425
 1185   2HG2  VAL  56          2HG2      VAL  56 -14.980  -2.148  -2.148
 1186   3HG2  VAL  56          1HG2      VAL  56 -13.280  -2.608  -2.608
 1187    H    MET  57           H        MET  57 -15.838  -4.402  -4.402
 1188    HA   MET  57           HA       MET  57 -14.624  -6.834  -6.834
 1189   1HB   MET  57          2HB       MET  57 -17.267  -5.499  -5.499
 1190   2HB   MET  57          1HB       MET  57 -16.883  -7.200  -7.200
 1191   1HG   MET  57          2HG       MET  57 -16.727  -5.892  -5.892
 1192   2HG   MET  57          1HG       MET  57 -18.177  -6.703  -6.703
 1193   1HE   MET  57          2HE       MET  57 -18.679  -8.782  -8.782
 1194   2HE   MET  57          1HE       MET  57 -18.292  -9.209  -9.209
 1195   3HE   MET  57          3HE       MET  57 -17.742 -10.236 -10.236
 1196    H    GLU  58           H        GLU  58 -15.297  -3.714  -3.714
 1197    HA   GLU  58           HA       GLU  58 -15.125  -4.463  -4.463
 1198   1HB   GLU  58          2HB       GLU  58 -15.716  -2.274  -2.274
 1199   2HB   GLU  58          1HB       GLU  58 -14.828  -2.048  -2.048
 1200   1HG   GLU  58          2HG       GLU  58 -13.861  -0.674  -0.674
 1201   2HG   GLU  58          1HG       GLU  58 -12.712  -1.902  -1.902
 1202    H    THR  59           H        THR  59 -12.479  -3.424  -3.424
 1203    HA   THR  59           HA       THR  59 -10.346  -3.816  -3.816
 1204    HB   THR  59           HB       THR  59 -10.419  -4.153  -4.153
 1205    HG1  THR  59           HG1      THR  59 -10.161  -1.932  -1.932
 1206   1HG2  THR  59          1HG2      THR  59  -8.232  -3.948  -3.948
 1207   2HG2  THR  59          3HG2      THR  59  -7.985  -3.206  -3.206
 1208   3HG2  THR  59          2HG2      THR  59  -8.315  -4.934  -4.934
 1209    H    LEU  60           H        LEU  60 -11.891  -6.013  -6.013
 1210    HA   LEU  60           HA       LEU  60 -10.198  -8.270  -8.270
 1211   1HB   LEU  60          2HB       LEU  60 -12.802  -7.601  -7.601
 1212   2HB   LEU  60          1HB       LEU  60 -12.770  -9.231  -9.231
 1213    HG   LEU  60           HG       LEU  60 -10.342  -8.573  -8.573
 1214   1HD1  LEU  60          3HD1      LEU  60 -12.637  -7.532  -7.532
 1215   2HD1  LEU  60          2HD1      LEU  60 -12.543  -9.127  -9.127
 1216   3HD1  LEU  60          1HD1      LEU  60 -11.195  -8.000  -8.000
 1217   1HD2  LEU  60          3HD2      LEU  60 -11.989 -10.805 -10.805
 1218   2HD2  LEU  60          2HD2      LEU  60 -10.392 -10.823 -10.823
 1219   3HD2  LEU  60          1HD2      LEU  60 -11.839 -10.763 -10.763
 1220    H    ASP  61           H        ASP  61 -13.144  -7.186  -7.186
 1221    HA   ASP  61           HA       ASP  61 -12.925  -9.366  -9.366
 1222   1HB   ASP  61          2HB       ASP  61 -14.994  -8.052  -8.052
 1223   2HB   ASP  61          1HB       ASP  61 -14.937  -7.233  -7.233
 1224    H    SER  62           H        SER  62 -11.369  -6.543  -6.543
 1225    HA   SER  62           HA       SER  62 -11.724  -5.232  -5.232
 1226   1HB   SER  62          2HB       SER  62 -11.024  -3.868  -3.868
 1227   2HB   SER  62          1HB       SER  62  -9.840  -5.041  -5.041
 1228    HG   SER  62           HG       SER  62  -8.454  -4.073  -4.073
 1229    H    ASP  63           H        ASP  63 -10.426  -8.159  -8.159
 1230    HA   ASP  63           HA       ASP  63  -9.213  -9.585  -9.585
 1231   1HB   ASP  63          2HB       ASP  63  -9.894  -7.604  -7.604
 1232   2HB   ASP  63          1HB       ASP  63  -8.174  -7.229  -7.229
 1233    H    GLY  64           H        GLY  64  -7.719  -6.582  -6.582
 1234   1HA   GLY  64          2HA       GLY  64  -5.011  -7.672  -7.672
 1235   2HA   GLY  64          1HA       GLY  64  -5.496  -6.188  -6.188
 1236    H    ASP  65           H        ASP  65  -7.626  -8.531  -8.531
 1237    HA   ASP  65           HA       ASP  65  -6.212  -8.825  -8.825
 1238   1HB   ASP  65          2HB       ASP  65  -8.478  -8.114  -8.114
 1239   2HB   ASP  65          1HB       ASP  65  -8.994  -9.310  -9.310
 1240    H    GLY  66           H        GLY  66  -7.845 -11.010 -11.010
 1241   1HA   GLY  66          2HA       GLY  66  -7.297 -13.485 -13.485
 1242   2HA   GLY  66          1HA       GLY  66  -7.187 -13.209 -13.209
 1243    H    GLU  67           H        GLU  67  -5.094 -11.338 -11.338
 1244    HA   GLU  67           HA       GLU  67  -2.763 -13.032 -13.032
 1245   1HB   GLU  67          2HB       GLU  67  -1.730 -11.913 -11.913
 1246   2HB   GLU  67          1HB       GLU  67  -3.292 -12.523 -12.523
 1247   1HG   GLU  67          2HG       GLU  67  -3.945 -10.038 -10.038
 1248   2HG   GLU  67          1HG       GLU  67  -2.356  -9.747  -9.747
 1249    H    CYS  68           H        CYS  68  -3.577 -11.664 -11.664
 1250    HA   CYS  68           HA       CYS  68  -2.622  -8.884  -8.884
 1251   1HB   CYS  68          2HB       CYS  68  -4.516 -10.401 -10.401
 1252   2HB   CYS  68          1HB       CYS  68  -3.281 -10.089 -10.089
 1253    HG   CYS  68           HG       CYS  68  -5.037  -8.069  -8.069
 1254    H    ASP  69           H        ASP  69  -0.325  -9.273  -9.273
 1255    HA   ASP  69           HA       ASP  69   1.204 -10.813 -10.813
 1256   1HB   ASP  69          2HB       ASP  69   1.849 -11.004 -11.004
 1257   2HB   ASP  69          1HB       ASP  69   1.822  -9.260  -9.260
 1258    H    PHE  70           H        PHE  70   3.235  -9.735  -9.735
 1259    HA   PHE  70           HA       PHE  70   3.380  -8.234  -8.234
 1260   1HB   PHE  70          2HB       PHE  70   4.814  -7.739  -7.739
 1261   2HB   PHE  70          1HB       PHE  70   5.201  -6.762  -6.762
 1262    HD1  PHE  70           HD2      PHE  70   5.228  -8.510  -8.510
 1263    HD2  PHE  70           HD1      PHE  70   6.375  -9.408  -9.408
 1264    HE1  PHE  70           HE2      PHE  70   6.719 -10.291 -10.291
 1265    HE2  PHE  70           HE1      PHE  70   7.868 -11.201 -11.201
 1266    HZ   PHE  70           HZ       PHE  70   8.039 -11.630 -11.630
 1267    H    GLN  71           H        GLN  71   3.149  -6.228  -6.228
 1268    HA   GLN  71           HA       GLN  71   2.403  -3.851  -3.851
 1269   1HB   GLN  71          2HB       GLN  71   2.557  -2.788  -2.788
 1270   2HB   GLN  71          1HB       GLN  71   3.793  -4.046  -4.046
 1271   1HG   GLN  71          2HG       GLN  71   2.805  -4.524  -4.524
 1272   2HG   GLN  71          1HG       GLN  71   1.787  -5.510  -5.510
 1273   1HE2  GLN  71          2HE2      GLN  71  -0.702  -3.638  -3.638
 1274   2HE2  GLN  71          1HE2      GLN  71   0.318  -4.983  -4.983
 1275    H    GLU  72           H        GLU  72   0.603  -6.246  -6.246
 1276    HA   GLU  72           HA       GLU  72  -1.779  -4.704  -4.704
 1277   1HB   GLU  72          2HB       GLU  72  -1.633  -7.680  -7.680
 1278   2HB   GLU  72          1HB       GLU  72  -2.692  -6.815  -6.815
 1279   1HG   GLU  72          2HG       GLU  72  -0.291  -6.010  -6.010
 1280   2HG   GLU  72          1HG       GLU  72   0.154  -7.593  -7.593
 1281    H    PHE  73           H        PHE  73  -0.657  -6.669  -6.669
 1282    HA   PHE  73           HA       PHE  73  -3.100  -6.615  -6.615
 1283   1HB   PHE  73          2HB       PHE  73  -1.727  -8.137  -8.137
 1284   2HB   PHE  73          1HB       PHE  73  -0.306  -7.397  -7.397
 1285    HD1  PHE  73           HD2      PHE  73  -2.810  -6.156  -6.156
 1286    HD2  PHE  73           HD1      PHE  73   1.304  -7.064  -7.064
 1287    HE1  PHE  73           HE2      PHE  73  -2.168  -5.234  -5.234
 1288    HE2  PHE  73           HE1      PHE  73   1.950  -6.154  -6.154
 1289    HZ   PHE  73           HZ       PHE  73   0.210  -5.239  -5.239
 1290    H    MET  74           H        MET  74  -0.108  -4.651  -4.651
 1291    HA   MET  74           HA       MET  74  -1.113  -2.775  -2.775
 1292   1HB   MET  74          2HB       MET  74   1.060  -3.047  -3.047
 1293   2HB   MET  74          1HB       MET  74   0.547  -1.369  -1.369
 1294   1HG   MET  74          2HG       MET  74   0.697  -1.748  -1.748
 1295   2HG   MET  74          1HG       MET  74   1.535  -3.254  -3.254
 1296   1HE   MET  74          1HE       MET  74   1.737   0.010   0.010
 1297   2HE   MET  74          3HE       MET  74   3.172   0.818   0.818
 1298   3HE   MET  74          2HE       MET  74   1.691   0.756   0.756
 1299    H    ALA  75           H        ALA  75  -1.522  -3.055  -3.055
 1300    HA   ALA  75           HA       ALA  75  -2.673  -0.484  -0.484
 1301   1HB   ALA  75          2HB       ALA  75  -2.513  -3.204  -3.204
 1302   2HB   ALA  75          1HB       ALA  75  -3.738  -2.118  -2.118
 1303   3HB   ALA  75          3HB       ALA  75  -2.038  -1.650  -1.650
 1304    H    PHE  76           H        PHE  76  -4.370  -3.618  -3.618
 1305    HA   PHE  76           HA       PHE  76  -6.994  -2.541  -2.541
 1306   1HB   PHE  76          2HB       PHE  76  -6.626  -4.769  -4.769
 1307   2HB   PHE  76          1HB       PHE  76  -5.668  -5.175  -5.175
 1308    HD1  PHE  76           HD1      PHE  76  -9.084  -3.781  -3.781
 1309    HD2  PHE  76           HD2      PHE  76  -6.712  -6.536  -6.536
 1310    HE1  PHE  76           HE1      PHE  76 -11.128  -4.607  -4.607
 1311    HE2  PHE  76           HE2      PHE  76  -8.760  -7.360  -7.360
 1312    HZ   PHE  76           HZ       PHE  76 -10.969  -6.396  -6.396
 1313    H    VAL  77           H        VAL  77  -4.785  -3.797  -3.797
 1314    HA   VAL  77           HA       VAL  77  -6.488  -3.526  -3.526
 1315    HB   VAL  77           HB       VAL  77  -3.931  -4.236  -4.236
 1316   1HG1  VAL  77          1HG1      VAL  77  -3.282  -1.818  -1.818
 1317   2HG1  VAL  77          3HG1      VAL  77  -3.637  -1.504  -1.504
 1318   3HG1  VAL  77          2HG1      VAL  77  -2.355  -2.632  -2.632
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.616  -3.597  -3.597
 1320   2HG2  VAL  77          1HG2      VAL  77  -4.452  -4.910  -4.910
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.917  -3.330  -3.330
 1322    H    ALA  78           H        ALA  78  -4.655  -1.079  -1.079
 1323    HA   ALA  78           HA       ALA  78  -5.376   1.156   1.156
 1324   1HB   ALA  78          1HB       ALA  78  -3.585   0.667   0.667
 1325   2HB   ALA  78          3HB       ALA  78  -4.814   1.577   1.577
 1326   3HB   ALA  78          2HB       ALA  78  -4.024   2.288   2.288
 1327    H    MET  79           H        MET  79  -6.601  -0.186  -0.186
 1328    HA   MET  79           HA       MET  79  -8.661   1.666   1.666
 1329   1HB   MET  79          2HB       MET  79  -7.996  -0.139  -0.139
 1330   2HB   MET  79          1HB       MET  79  -8.516  -1.347  -1.347
 1331   1HG   MET  79          2HG       MET  79 -10.515  -1.316  -1.316
 1332   2HG   MET  79          1HG       MET  79 -10.757   0.269   0.269
 1333   1HE   MET  79          2HE       MET  79 -11.400   1.957   1.957
 1334   2HE   MET  79          1HE       MET  79  -9.905   2.712   2.712
 1335   3HE   MET  79          3HE       MET  79 -11.263   2.518   2.518
 1336    H    ILE  80           H        ILE  80  -8.604  -1.129  -1.129
 1337    HA   ILE  80           HA       ILE  80 -11.355  -1.112  -1.112
 1338    HB   ILE  80           HB       ILE  80  -8.843  -1.739  -1.739
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.182  -2.860  -2.860
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.909  -3.910  -3.910
 1341   1HG2  ILE  80          2HG2      ILE  80 -11.740  -2.542  -2.542
 1342   2HG2  ILE  80          1HG2      ILE  80 -10.403  -3.355  -3.355
 1343   3HG2  ILE  80          3HG2      ILE  80 -10.724  -1.651  -1.651
 1344   1HD1  ILE  80          1HD1      ILE  80 -11.705  -3.501  -3.501
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.200  -3.793  -3.793
 1346   3HD1  ILE  80          2HD1      ILE  80 -10.834  -4.975  -4.975
 1347    H    THR  81           H        THR  81  -8.612   0.058   0.058
 1348    HA   THR  81           HA       THR  81  -9.999   1.590   1.590
 1349    HB   THR  81           HB       THR  81  -7.381   2.396   2.396
 1350    HG1  THR  81           HG1      THR  81  -7.979   0.313   0.313
 1351   1HG2  THR  81          3HG2      THR  81  -8.550   3.749   3.749
 1352   2HG2  THR  81          2HG2      THR  81  -8.088   2.406   2.406
 1353   3HG2  THR  81          1HG2      THR  81  -6.846   3.341   3.341
 1354    H    THR  82           H        THR  82  -9.118   2.508   2.508
 1355    HA   THR  82           HA       THR  82  -9.915   5.290   5.290
 1356    HB   THR  82           HB       THR  82 -10.047   4.908   4.908
 1357    HG1  THR  82           HG1      THR  82  -8.353   2.794   2.794
 1358   1HG2  THR  82          2HG2      THR  82  -7.521   4.627   4.627
 1359   2HG2  THR  82          1HG2      THR  82  -7.538   4.944   4.944
 1360   3HG2  THR  82          3HG2      THR  82  -8.227   6.122   6.122
 1361    H    ALA  83           H        ALA  83 -11.512   2.326   2.326
 1362    HA   ALA  83           HA       ALA  83 -13.973   3.613   3.613
 1363   1HB   ALA  83          3HB       ALA  83 -12.940   1.311   1.311
 1364   2HB   ALA  83          2HB       ALA  83 -13.638   0.755   0.755
 1365   3HB   ALA  83          1HB       ALA  83 -14.685   1.376   1.376
 1366    H    CYS  84           H        CYS  84 -12.867   2.009   2.009
 1367    HA   CYS  84           HA       CYS  84 -15.145   1.768   1.768
 1368   1HB   CYS  84          2HB       CYS  84 -12.983   1.209   1.209
 1369   2HB   CYS  84          1HB       CYS  84 -12.395   2.859   2.859
 1370    HG   CYS  84           HG       CYS  84 -14.765   2.558   2.558
 1371    H    HIS  85           H        HIS  85 -13.614   4.760   4.760
 1372    HA   HIS  85           HA       HIS  85 -15.928   6.375   6.375
 1373   1HB   HIS  85          2HB       HIS  85 -14.789   5.617   5.617
 1374   2HB   HIS  85          1HB       HIS  85 -14.123   7.225   7.225
 1375    HD1  HIS  85           HD1      HIS  85 -16.631   8.372   8.372
 1376    HD2  HIS  85           HD2      HIS  85 -16.776   6.378   6.378
 1377    HE1  HIS  85           HE1      HIS  85 -18.784   9.092   9.092
 1378    H    GLU  86           H        GLU  86 -12.432   6.723   6.723
 1379    HA   GLU  86           HA       GLU  86 -11.763   8.114   8.114
 1380   1HB   GLU  86          2HB       GLU  86 -13.444   9.602   9.602
 1381   2HB   GLU  86          1HB       GLU  86 -11.908  10.091  10.091
 1382   1HG   GLU  86          2HG       GLU  86 -12.312  11.620  11.620
 1383   2HG   GLU  86          1HG       GLU  86 -11.078  10.500  10.500
 1384    H    PHE  87           H        PHE  87 -10.490   6.163   6.163
 1385    HA   PHE  87           HA       PHE  87  -8.318   5.662   5.662
 1386   1HB   PHE  87          2HB       PHE  87  -8.044   7.767   7.767
 1387   2HB   PHE  87          1HB       PHE  87  -7.494   8.513   8.513
 1388    HD1  PHE  87           HD1      PHE  87  -5.566   7.407   7.407
 1389    HD2  PHE  87           HD2      PHE  87  -6.758   6.193   6.193
 1390    HE1  PHE  87           HE1      PHE  87  -3.449   6.237   6.237
 1391    HE2  PHE  87           HE2      PHE  87  -4.601   5.015   5.015
 1392    HZ   PHE  87           HZ       PHE  87  -2.942   5.024   5.024
 1393    H    PHE  88           H        PHE  88  -9.122   8.965   8.965
 1394    HA   PHE  88           HA       PHE  88  -8.012   8.347   8.347
 1395   1HB   PHE  88          2HB       PHE  88  -9.383  10.788  10.788
 1396   2HB   PHE  88          1HB       PHE  88  -8.463  10.725  10.725
 1397    HD1  PHE  88           HD1      PHE  88  -6.741   8.435   8.435
 1398    HD2  PHE  88           HD2      PHE  88  -7.569  12.653  12.653
 1399    HE1  PHE  88           HE1      PHE  88  -4.621   8.838   8.838
 1400    HE2  PHE  88           HE2      PHE  88  -5.493  13.071  13.071
 1401    HZ   PHE  88           HZ       PHE  88  -4.056  11.201  11.201
 1402    H    GLU  89           H        GLU  89  -9.823  10.095  10.095
 1403    HA   GLU  89           HA       GLU  89 -12.281   8.381   8.381
 1404   1HB   GLU  89          2HB       GLU  89 -10.213   8.858   8.858
 1405   2HB   GLU  89          1HB       GLU  89 -11.624   9.737   9.737
 1406   1HG   GLU  89          2HG       GLU  89 -12.990   7.726   7.726
 1407   2HG   GLU  89          1HG       GLU  89 -11.654   6.830   6.830
 1408    H    HIS  90           H        HIS  90 -11.159  11.447  11.447
 1409    HA   HIS  90           HA       HIS  90 -13.872  12.590  12.590
 1410   1HB   HIS  90          2HB       HIS  90 -12.994  14.517  14.517
 1411   2HB   HIS  90          1HB       HIS  90 -12.764  13.002  13.002
 1412    HD1  HIS  90           HD1      HIS  90 -10.976  15.929  15.929
 1413    HD2  HIS  90           HD2      HIS  90  -9.957  11.923  11.923
 1414    HE1  HIS  90           HE1      HIS  90  -8.448  15.823  15.823
 1415    H    GLU  91           H        GLU  91 -14.059  13.086  13.086
 1416    HA   GLU  91           HA       GLU  91 -11.846  14.677  14.677
 1417   1HB   GLU  91          2HB       GLU  91 -12.932  13.820  13.820
 1418   2HB   GLU  91          1HB       GLU  91 -12.248  12.562  12.562
 1419   1HG   GLU  91          2HG       GLU  91 -14.327  11.786  11.786
 1420   2HG   GLU  91          1HG       GLU  91 -15.110  13.344  13.344

  Start of MODEL   21
    1   1H    MET   0          1H        MET   0   0.735  -9.218  -9.218
    2   2H    MET   0          3H        MET   0   1.157 -10.801 -10.801
    3   3H    MET   0          2H        MET   0   0.971  -9.610  -9.610
    4    HA   MET   0           HA       MET   0  -1.012 -10.808 -10.808
    5   1HB   MET   0          2HB       MET   0  -0.308 -11.985 -11.985
    6   2HB   MET   0          1HB       MET   0  -1.167 -10.698 -10.698
    7   1HG   MET   0          2HG       MET   0  -3.013 -11.437 -11.437
    8   2HG   MET   0          1HG       MET   0  -2.236 -12.980 -12.980
    9   1HE   MET   0          1HE       MET   0  -4.102 -10.120 -10.120
   10   2HE   MET   0          3HE       MET   0  -5.457 -11.094 -11.094
   11   3HE   MET   0          2HE       MET   0  -4.539 -10.090 -10.090
   12    H    SER   1           H        SER   1  -1.046  -8.690  -8.690
   13    HA   SER   1           HA       SER   1  -3.398  -7.254  -7.254
   14   1HB   SER   1          2HB       SER   1  -3.277  -6.168  -6.168
   15   2HB   SER   1          1HB       SER   1  -3.104  -7.912  -7.912
   16    HG   SER   1           HG       SER   1  -1.504  -6.879  -6.879
   17    H    GLU   2           H        GLU   2  -0.113  -6.278  -6.278
   18    HA   GLU   2           HA       GLU   2  -0.047  -3.616  -3.616
   19   1HB   GLU   2          2HB       GLU   2   1.828  -5.860  -5.860
   20   2HB   GLU   2          1HB       GLU   2   2.384  -4.617  -4.617
   21   1HG   GLU   2          2HG       GLU   2   1.788  -2.922  -2.922
   22   2HG   GLU   2          1HG       GLU   2   1.681  -4.309  -4.309
   23    H    LEU   3           H        LEU   3  -0.172  -6.397  -6.397
   24    HA   LEU   3           HA       LEU   3   0.702  -5.410  -5.410
   25   1HB   LEU   3          2HB       LEU   3   0.004  -7.690  -7.690
   26   2HB   LEU   3          1HB       LEU   3  -1.641  -7.156  -7.156
   27    HG   LEU   3           HG       LEU   3  -0.704  -8.144  -8.144
   28   1HD1  LEU   3          1HD1      LEU   3  -3.072  -6.802  -6.802
   29   2HD1  LEU   3          3HD1      LEU   3  -2.878  -6.563  -6.563
   30   3HD1  LEU   3          2HD1      LEU   3  -2.951  -8.191  -8.191
   31   1HD2  LEU   3          3HD2      LEU   3   0.471  -5.784  -5.784
   32   2HD2  LEU   3          2HD2      LEU   3  -0.359  -6.461  -6.461
   33   3HD2  LEU   3          1HD2      LEU   3  -1.151  -5.234  -5.234
   34    H    GLU   4           H        GLU   4  -2.789  -5.609  -5.609
   35    HA   GLU   4           HA       GLU   4  -3.555  -3.622  -3.622
   36   1HB   GLU   4          2HB       GLU   4  -4.719  -5.177  -5.177
   37   2HB   GLU   4          1HB       GLU   4  -5.571  -3.681  -3.681
   38   1HG   GLU   4          2HG       GLU   4  -4.852  -5.850  -5.850
   39   2HG   GLU   4          1HG       GLU   4  -6.453  -5.608  -5.608
   40    H    LYS   5           H        LYS   5  -2.853  -3.467  -3.467
   41    HA   LYS   5           HA       LYS   5  -3.575  -0.794  -0.794
   42   1HB   LYS   5          2HB       LYS   5  -1.151  -2.395  -2.395
   43   2HB   LYS   5          1HB       LYS   5  -1.798  -0.979  -0.979
   44   1HG   LYS   5          2HG       LYS   5  -3.856  -2.992  -2.992
   45   2HG   LYS   5          1HG       LYS   5  -2.546  -3.618  -3.618
   46   1HD   LYS   5          2HD       LYS   5  -3.800  -0.941  -0.941
   47   2HD   LYS   5          1HD       LYS   5  -4.518  -2.434  -2.434
   48   1HE   LYS   5          2HE       LYS   5  -2.656  -2.928  -2.928
   49   2HE   LYS   5          1HE       LYS   5  -1.582  -1.865  -1.865
   50   1HZ   LYS   5          2HZ       LYS   5  -3.983  -0.752  -0.752
   51   2HZ   LYS   5          1HZ       LYS   5  -2.586  -1.016  -1.016
   52   3HZ   LYS   5          3HZ       LYS   5  -2.526   0.022   0.022
   53    H    ALA   6           H        ALA   6  -1.044  -2.131  -2.131
   54    HA   ALA   6           HA       ALA   6   0.697   0.160   0.160
   55   1HB   ALA   6          1HB       ALA   6   0.951  -2.340  -2.340
   56   2HB   ALA   6          3HB       ALA   6   0.175  -1.791  -1.791
   57   3HB   ALA   6          2HB       ALA   6   1.709  -1.084  -1.084
   58    H    VAL   7           H        VAL   7  -2.098  -0.953  -0.953
   59    HA   VAL   7           HA       VAL   7  -2.122   1.129   1.129
   60    HB   VAL   7           HB       VAL   7  -3.719  -1.076  -1.076
   61   1HG1  VAL   7          1HG1      VAL   7  -5.183   0.956   0.956
   62   2HG1  VAL   7          3HG1      VAL   7  -5.493   1.141   1.141
   63   3HG1  VAL   7          2HG1      VAL   7  -5.930  -0.358  -0.358
   64   1HG2  VAL   7          3HG2      VAL   7  -3.059   0.332   0.332
   65   2HG2  VAL   7          2HG2      VAL   7  -3.352  -1.387  -1.387
   66   3HG2  VAL   7          1HG2      VAL   7  -4.708  -0.292  -0.292
   67    H    VAL   8           H        VAL   8  -3.412   0.889   0.889
   68    HA   VAL   8           HA       VAL   8  -4.703   3.456   3.456
   69    HB   VAL   8           HB       VAL   8  -3.345   1.755   1.755
   70   1HG1  VAL   8          1HG1      VAL   8  -4.540   4.378   4.378
   71   2HG1  VAL   8          3HG1      VAL   8  -5.510   3.237   3.237
   72   3HG1  VAL   8          2HG1      VAL   8  -3.796   3.440   3.440
   73   1HG2  VAL   8          2HG2      VAL   8  -5.567   1.194   1.194
   74   2HG2  VAL   8          1HG2      VAL   8  -5.197   0.451   0.451
   75   3HG2  VAL   8          3HG2      VAL   8  -6.270   1.849   1.849
   76    H    ALA   9           H        ALA   9  -1.374   2.348   2.348
   77    HA   ALA   9           HA       ALA   9  -0.285   4.818   4.818
   78   1HB   ALA   9          2HB       ALA   9   0.550   2.200   2.200
   79   2HB   ALA   9          1HB       ALA   9   1.517   3.274   3.274
   80   3HB   ALA   9          3HB       ALA   9   1.534   3.463   3.463
   81    H    LEU  10           H        LEU  10  -1.141   3.598   3.598
   82    HA   LEU  10           HA       LEU  10   0.276   5.649   5.649
   83   1HB   LEU  10          2HB       LEU  10  -2.041   3.815   3.815
   84   2HB   LEU  10          1HB       LEU  10  -1.015   4.693   4.693
   85    HG   LEU  10           HG       LEU  10  -0.192   2.458   2.458
   86   1HD1  LEU  10          1HD1      LEU  10  -0.408   2.829   2.829
   87   2HD1  LEU  10          3HD1      LEU  10   0.818   1.738   1.738
   88   3HD1  LEU  10          2HD1      LEU  10  -0.883   1.447   1.447
   89   1HD2  LEU  10          2HD2      LEU  10   1.368   4.685   4.685
   90   2HD2  LEU  10          1HD2      LEU  10   1.740   3.650   3.650
   91   3HD2  LEU  10          3HD2      LEU  10   2.055   3.082   3.082
   92    H    ILE  11           H        ILE  11  -2.758   5.420   5.420
   93    HA   ILE  11           HA       ILE  11  -4.037   7.642   7.642
   94    HB   ILE  11           HB       ILE  11  -5.791   7.296   7.296
   95   1HG1  ILE  11          2HG1      ILE  11  -4.913   5.635   5.635
   96   2HG1  ILE  11          1HG1      ILE  11  -3.696   6.902   6.902
   97   1HG2  ILE  11          3HG2      ILE  11  -5.275   5.338   5.338
   98   2HG2  ILE  11          2HG2      ILE  11  -4.397   4.624   4.624
   99   3HG2  ILE  11          1HG2      ILE  11  -6.130   4.917   4.917
  100   1HD1  ILE  11          3HD1      ILE  11  -6.297   8.076   8.076
  101   2HD1  ILE  11          2HD1      ILE  11  -6.281   7.115   7.115
  102   3HD1  ILE  11          1HD1      ILE  11  -5.098   8.404   8.404
  103    H    ASP  12           H        ASP  12  -1.961   7.189   7.189
  104    HA   ASP  12           HA       ASP  12  -2.258   9.807   9.807
  105   1HB   ASP  12          2HB       ASP  12  -1.020   7.358   7.358
  106   2HB   ASP  12          1HB       ASP  12   0.338   8.454   8.454
  107    H    VAL  13           H        VAL  13   0.103   8.339   8.339
  108    HA   VAL  13           HA       VAL  13   1.613  10.724  10.724
  109    HB   VAL  13           HB       VAL  13   2.574   9.330   9.330
  110   1HG1  VAL  13          3HG1      VAL  13   1.967   8.015   8.015
  111   2HG1  VAL  13          2HG1      VAL  13   3.127   7.347   7.347
  112   3HG1  VAL  13          1HG1      VAL  13   3.404   8.937   8.937
  113   1HG2  VAL  13          2HG2      VAL  13   0.230   7.541   7.541
  114   2HG2  VAL  13          1HG2      VAL  13   0.657   8.252   8.252
  115   3HG2  VAL  13          3HG2      VAL  13   1.663   6.985   6.985
  116    H    PHE  14           H        PHE  14  -0.869   9.093   9.093
  117    HA   PHE  14           HA       PHE  14  -0.844  10.857  10.857
  118   1HB   PHE  14          2HB       PHE  14  -2.833   9.053   9.053
  119   2HB   PHE  14          1HB       PHE  14  -3.594  10.519  10.519
  120    HD1  PHE  14           HD2      PHE  14  -3.120  11.324  11.324
  121    HD2  PHE  14           HD1      PHE  14  -1.850   7.467   7.467
  122    HE1  PHE  14           HE2      PHE  14  -2.648  10.637  10.637
  123    HE2  PHE  14           HE1      PHE  14  -1.411   6.775   6.775
  124    HZ   PHE  14           HZ       PHE  14  -1.796   8.360   8.360
  125    H    HIS  15           H        HIS  15  -2.657  11.283  11.283
  126    HA   HIS  15           HA       HIS  15  -3.768  13.823  13.823
  127   1HB   HIS  15          2HB       HIS  15  -4.418  13.144  13.144
  128   2HB   HIS  15          1HB       HIS  15  -3.050  12.049  12.049
  129    HD1  HIS  15           HD1      HIS  15  -2.386  12.626  12.626
  130    HD2  HIS  15           HD2      HIS  15  -2.569  15.988  15.988
  131    HE1  HIS  15           HE1      HIS  15  -1.403  14.541  14.541
  132    H    GLN  16           H        GLN  16  -0.571  13.096  13.096
  133    HA   GLN  16           HA       GLN  16   0.354  15.825  15.825
  134   1HB   GLN  16          2HB       GLN  16   1.840  13.166  13.166
  135   2HB   GLN  16          1HB       GLN  16   2.495  14.723  14.723
  136   1HG   GLN  16          2HG       GLN  16   0.712  14.837  14.837
  137   2HG   GLN  16          1HG       GLN  16   0.193  13.219  13.219
  138   1HE2  GLN  16          2HE2      GLN  16   3.889  13.586  13.586
  139   2HE2  GLN  16          1HE2      GLN  16   3.299  14.872  14.872
  140    H    TYR  17           H        TYR  17   1.678  13.108  13.108
  141    HA   TYR  17           HA       TYR  17   3.168  14.266  14.266
  142   1HB   TYR  17          2HB       TYR  17   1.344  11.939  11.939
  143   2HB   TYR  17          1HB       TYR  17   1.868  12.352  12.352
  144    HD1  TYR  17           HD1      TYR  17   4.239  12.413  12.413
  145    HD2  TYR  17           HD2      TYR  17   2.911  11.181  11.181
  146    HE1  TYR  17           HE1      TYR  17   6.468  11.459  11.459
  147    HE2  TYR  17           HE2      TYR  17   5.145  10.182  10.182
  148    HH   TYR  17           HH       TYR  17   7.236   9.958   9.958
  149    H    SER  18           H        SER  18  -0.329  13.679  13.679
  150    HA   SER  18           HA       SER  18  -0.282  15.594  15.594
  151   1HB   SER  18          2HB       SER  18  -2.337  13.749  13.749
  152   2HB   SER  18          1HB       SER  18  -2.679  14.784  14.784
  153    HG   SER  18           HG       SER  18  -1.045  13.727  13.727
  154    H    GLY  19           H        GLY  19  -0.575  15.935  15.935
  155   1HA   GLY  19          2HA       GLY  19  -2.261  18.377  18.377
  156   2HA   GLY  19          1HA       GLY  19  -2.559  17.279  17.279
  157    H    ARG  20           H        ARG  20   0.697  17.929  17.929
  158    HA   ARG  20           HA       ARG  20   1.186  19.483  19.483
  159   1HB   ARG  20          2HB       ARG  20   3.293  18.329  18.329
  160   2HB   ARG  20          1HB       ARG  20   2.083  17.095  17.095
  161   1HG   ARG  20          2HG       ARG  20   2.679  17.090  17.090
  162   2HG   ARG  20          1HG       ARG  20   3.762  18.464  18.464
  163   1HD   ARG  20          2HD       ARG  20   4.182  15.936  15.936
  164   2HD   ARG  20          1HD       ARG  20   4.820  16.076  16.076
  165    HE   ARG  20           HE       ARG  20   5.945  18.213  18.213
  166   1HH1  ARG  20          1HH2      ARG  20   5.604  19.140  19.140
  167   2HH1  ARG  20          2HH2      ARG  20   6.407  18.123  18.123
  168   1HH2  ARG  20          2HH1      ARG  20   6.716  15.448  15.448
  169   2HH2  ARG  20          1HH1      ARG  20   7.037  16.040  16.040
  170    H    GLU  21           H        GLU  21   1.091  19.677  19.677
  171    HA   GLU  21           HA       GLU  21   3.083  21.918  21.918
  172   1HB   GLU  21          2HB       GLU  21   3.576  19.681  19.681
  173   2HB   GLU  21          1HB       GLU  21   2.350  20.213  20.213
  174   1HG   GLU  21          2HG       GLU  21   4.589  20.902  20.902
  175   2HG   GLU  21          1HG       GLU  21   3.609  22.315  22.315
  176    H    GLY  22           H        GLY  22  -0.068  20.732  20.732
  177   1HA   GLY  22          2HA       GLY  22  -1.509  23.036  23.036
  178   2HA   GLY  22          1HA       GLY  22  -0.668  23.140  23.140
  179    H    ASP  23           H        ASP  23  -0.714  20.668  20.668
  180    HA   ASP  23           HA       ASP  23  -3.202  20.269  20.269
  181   1HB   ASP  23          2HB       ASP  23  -1.183  18.167  18.167
  182   2HB   ASP  23          1HB       ASP  23  -2.383  17.976  17.976
  183    H    LYS  24           H        LYS  24  -4.794  18.446  18.446
  184    HA   LYS  24           HA       LYS  24  -5.614  18.446  18.446
  185   1HB   LYS  24          2HB       LYS  24  -6.769  18.096  18.096
  186   2HB   LYS  24          1HB       LYS  24  -7.349  16.867  16.867
  187   1HG   LYS  24          2HG       LYS  24  -7.384  19.861  19.861
  188   2HG   LYS  24          1HG       LYS  24  -8.787  18.870  18.870
  189   1HD   LYS  24          2HD       LYS  24  -9.002  18.137  18.137
  190   2HD   LYS  24          1HD       LYS  24  -7.278  17.790  17.790
  191   1HE   LYS  24          2HE       LYS  24  -7.176  20.495  20.495
  192   2HE   LYS  24          1HE       LYS  24  -8.771  20.241  20.241
  193   1HZ   LYS  24          1HZ       LYS  24  -7.566  18.387  18.387
  194   2HZ   LYS  24          3HZ       LYS  24  -6.145  19.211  19.211
  195   3HZ   LYS  24          2HZ       LYS  24  -7.340  19.995  19.995
  196    H    HIS  25           H        HIS  25  -5.965  15.694  15.694
  197    HA   HIS  25           HA       HIS  25  -4.246  14.061  14.061
  198   1HB   HIS  25          2HB       HIS  25  -7.138  13.818  13.818
  199   2HB   HIS  25          1HB       HIS  25  -6.217  12.335  12.335
  200    HD1  HIS  25           HD1      HIS  25  -8.392  14.162  14.162
  201    HD2  HIS  25           HD2      HIS  25  -4.412  13.128  13.128
  202    HE1  HIS  25           HE1      HIS  25  -8.023  14.344  14.344
  203    H    LYS  26           H        LYS  26  -3.118  14.793  14.793
  204    HA   LYS  26           HA       LYS  26  -3.086  12.285  12.285
  205   1HB   LYS  26          2HB       LYS  26  -3.773  15.039  15.039
  206   2HB   LYS  26          1HB       LYS  26  -3.299  13.694  13.694
  207   1HG   LYS  26          2HG       LYS  26  -5.556  13.314  13.314
  208   2HG   LYS  26          1HG       LYS  26  -5.205  12.470  12.470
  209   1HD   LYS  26          2HD       LYS  26  -5.496  14.934  14.934
  210   2HD   LYS  26          1HD       LYS  26  -6.510  15.117  15.117
  211   1HE   LYS  26          2HE       LYS  26  -7.411  12.715  12.715
  212   2HE   LYS  26          1HE       LYS  26  -6.956  13.454  13.454
  213   1HZ   LYS  26          2HZ       LYS  26  -8.373  15.068  15.068
  214   2HZ   LYS  26          1HZ       LYS  26  -9.266  13.987  13.987
  215   3HZ   LYS  26          3HZ       LYS  26  -8.366  15.224  15.224
  216    H    LEU  27           H        LEU  27  -0.918  11.815  11.815
  217    HA   LEU  27           HA       LEU  27   1.090  13.975  13.975
  218   1HB   LEU  27          2HB       LEU  27   1.277  10.948  10.948
  219   2HB   LEU  27          1HB       LEU  27   2.608  12.029  12.029
  220    HG   LEU  27           HG       LEU  27   0.001  11.922  11.922
  221   1HD1  LEU  27          3HD1      LEU  27   2.584  10.418  10.418
  222   2HD1  LEU  27          2HD1      LEU  27   1.646  10.839  10.839
  223   3HD1  LEU  27          1HD1      LEU  27   0.929   9.833   9.833
  224   1HD2  LEU  27          1HD2      LEU  27   1.803  13.928  13.928
  225   2HD2  LEU  27          3HD2      LEU  27   0.912  13.512  13.512
  226   3HD2  LEU  27          2HD2      LEU  27   2.557  12.918  12.918
  227    H    LYS  28           H        LYS  28   2.973  13.953  13.953
  228    HA   LYS  28           HA       LYS  28   2.481  12.685  12.685
  229   1HB   LYS  28          2HB       LYS  28   3.002  15.645  15.645
  230   2HB   LYS  28          1HB       LYS  28   2.353  14.732  14.732
  231   1HG   LYS  28          2HG       LYS  28   0.283  14.295  14.295
  232   2HG   LYS  28          1HG       LYS  28   0.932  15.170  15.170
  233   1HD   LYS  28          2HD       LYS  28   0.888  16.580  16.580
  234   2HD   LYS  28          1HD       LYS  28  -0.642  16.382  16.382
  235   1HE   LYS  28          2HE       LYS  28  -0.050  18.211  18.211
  236   2HE   LYS  28          1HE       LYS  28   1.171  17.181  17.181
  237   1HZ   LYS  28          2HZ       LYS  28   2.308  17.702  17.702
  238   2HZ   LYS  28          1HZ       LYS  28   1.494  19.165  19.165
  239   3HZ   LYS  28          3HZ       LYS  28   2.622  18.584  18.584
  240    H    LYS  29           H        LYS  29   4.387  13.532  13.532
  241    HA   LYS  29           HA       LYS  29   6.805  12.489  12.489
  242   1HB   LYS  29          2HB       LYS  29   7.496  15.011  15.011
  243   2HB   LYS  29          1HB       LYS  29   7.247  13.501  13.501
  244   1HG   LYS  29          2HG       LYS  29   5.007  14.010  14.010
  245   2HG   LYS  29          1HG       LYS  29   4.911  15.226  15.226
  246   1HD   LYS  29          2HD       LYS  29   6.076  16.812  16.812
  247   2HD   LYS  29          1HD       LYS  29   6.858  15.596  15.596
  248   1HE   LYS  29          2HE       LYS  29   5.126  16.776  16.776
  249   2HE   LYS  29          1HE       LYS  29   4.625  15.095  15.095
  250   1HZ   LYS  29          1HZ       LYS  29   3.903  17.330  17.330
  251   2HZ   LYS  29          3HZ       LYS  29   2.891  16.778  16.778
  252   3HZ   LYS  29          2HZ       LYS  29   3.305  15.740  15.740
  253    H    SER  30           H        SER  30   5.655  15.585  15.585
  254    HA   SER  30           HA       SER  30   8.130  16.283  16.283
  255   1HB   SER  30          2HB       SER  30   5.399  17.237  17.237
  256   2HB   SER  30          1HB       SER  30   6.898  18.153  18.153
  257    HG   SER  30           HG       SER  30   6.727  18.027  18.027
  258    H    GLU  31           H        GLU  31   4.929  15.341  15.341
  259    HA   GLU  31           HA       GLU  31   6.012  14.721  14.721
  260   1HB   GLU  31          2HB       GLU  31   3.438  13.722  13.722
  261   2HB   GLU  31          1HB       GLU  31   3.759  14.019  14.019
  262   1HG   GLU  31          2HG       GLU  31   4.358  16.452  16.452
  263   2HG   GLU  31          1HG       GLU  31   2.911  15.894  15.894
  264    H    LEU  32           H        LEU  32   4.958  12.711  12.711
  265    HA   LEU  32           HA       LEU  32   5.322  10.138  10.138
  266   1HB   LEU  32          2HB       LEU  32   4.631  11.042  11.042
  267   2HB   LEU  32          1HB       LEU  32   6.354  11.057  11.057
  268    HG   LEU  32           HG       LEU  32   6.302   8.590   8.590
  269   1HD1  LEU  32          3HD1      LEU  32   3.450   9.355   9.355
  270   2HD1  LEU  32          2HD1      LEU  32   3.852   7.827   7.827
  271   3HD1  LEU  32          1HD1      LEU  32   4.224   8.064   8.064
  272   1HD2  LEU  32          2HD2      LEU  32   6.313   9.726   9.726
  273   2HD2  LEU  32          1HD2      LEU  32   6.365   7.984   7.984
  274   3HD2  LEU  32          3HD2      LEU  32   4.833   8.774   8.774
  275    H    LYS  33           H        LYS  33   7.868  12.209  12.209
  276    HA   LYS  33           HA       LYS  33  10.047  10.420  10.420
  277   1HB   LYS  33          2HB       LYS  33   9.729  13.417  13.417
  278   2HB   LYS  33          1HB       LYS  33  11.321  12.675  12.675
  279   1HG   LYS  33          2HG       LYS  33   9.288  12.109  12.109
  280   2HG   LYS  33          1HG       LYS  33  10.813  12.976  12.976
  281   1HD   LYS  33          2HD       LYS  33  11.531  10.565  10.565
  282   2HD   LYS  33          1HD       LYS  33  10.316  10.107  10.107
  283   1HE   LYS  33          2HE       LYS  33  12.407  10.071  10.071
  284   2HE   LYS  33          1HE       LYS  33  11.647  11.605  11.605
  285   1HZ   LYS  33          2HZ       LYS  33  13.524  11.275  11.275
  286   2HZ   LYS  33          1HZ       LYS  33  13.958  11.900  11.900
  287   3HZ   LYS  33          3HZ       LYS  33  12.846  12.734  12.734
  288    H    GLU  34           H        GLU  34   8.955  13.148  13.148
  289    HA   GLU  34           HA       GLU  34  10.797  12.779  12.779
  290   1HB   GLU  34          2HB       GLU  34   8.621  14.394  14.394
  291   2HB   GLU  34          1HB       GLU  34   8.050  13.489  13.489
  292   1HG   GLU  34          2HG       GLU  34   9.646  14.395  14.395
  293   2HG   GLU  34          1HG       GLU  34  10.812  14.635  14.635
  294    H    LEU  35           H        LEU  35   7.768  11.213  11.213
  295    HA   LEU  35           HA       LEU  35   7.161   9.797   9.797
  296   1HB   LEU  35          2HB       LEU  35   6.483   9.880   9.880
  297   2HB   LEU  35          1HB       LEU  35   6.734   8.188   8.188
  298    HG   LEU  35           HG       LEU  35   4.867  10.164  10.164
  299   1HD1  LEU  35          2HD1      LEU  35   4.507   7.605   7.605
  300   2HD1  LEU  35          1HD1      LEU  35   3.222   8.317   8.317
  301   3HD1  LEU  35          3HD1      LEU  35   3.880   9.219   9.219
  302   1HD2  LEU  35          2HD2      LEU  35   6.300   7.978   7.978
  303   2HD2  LEU  35          1HD2      LEU  35   5.012   8.951   8.951
  304   3HD2  LEU  35          3HD2      LEU  35   4.610   7.494   7.494
  305    H    ILE  36           H        ILE  36   9.204   8.633   8.633
  306    HA   ILE  36           HA       ILE  36   9.956   6.364   6.364
  307    HB   ILE  36           HB       ILE  36  11.640   6.047   6.047
  308   1HG1  ILE  36          2HG1      ILE  36  10.968   8.595   8.595
  309   2HG1  ILE  36          1HG1      ILE  36  11.535   7.433   7.433
  310   1HG2  ILE  36          2HG2      ILE  36   8.666   5.834   5.834
  311   2HG2  ILE  36          1HG2      ILE  36   9.545   5.444   5.444
  312   3HG2  ILE  36          3HG2      ILE  36   9.886   4.559   4.559
  313   1HD1  ILE  36          1HD1      ILE  36   8.603   7.680   7.680
  314   2HD1  ILE  36          3HD1      ILE  36   9.364   8.732   8.732
  315   3HD1  ILE  36          2HD1      ILE  36   9.354   6.986   6.986
  316    H    ASN  37           H        ASN  37  11.257   9.433   9.433
  317    HA   ASN  37           HA       ASN  37  13.920   9.094   9.094
  318   1HB   ASN  37          2HB       ASN  37  12.397  11.608  11.608
  319   2HB   ASN  37          1HB       ASN  37  14.147  11.402  11.402
  320   1HD2  ASN  37          2HD2      ASN  37  13.238  11.145  11.145
  321   2HD2  ASN  37          1HD2      ASN  37  13.256  12.359  12.359
  322    H    ASN  38           H        ASN  38  10.961   9.321   9.321
  323    HA   ASN  38           HA       ASN  38  11.732  11.179  11.179
  324   1HB   ASN  38          2HB       ASN  38   9.374   9.883   9.883
  325   2HB   ASN  38          1HB       ASN  38   9.487   9.576   9.576
  326   1HD2  ASN  38          2HD2      ASN  38   9.327  13.524  13.524
  327   2HD2  ASN  38          1HD2      ASN  38  10.141  12.406  12.406
  328    H    GLU  39           H        GLU  39  11.149   7.667   7.667
  329    HA   GLU  39           HA       GLU  39  12.863   7.274   7.274
  330   1HB   GLU  39          2HB       GLU  39  10.173   6.820   6.820
  331   2HB   GLU  39          1HB       GLU  39  10.837   5.235   5.235
  332   1HG   GLU  39          2HG       GLU  39  11.546   6.844   6.844
  333   2HG   GLU  39          1HG       GLU  39  10.476   5.442   5.442
  334    H    LEU  40           H        LEU  40  12.027   6.208   6.208
  335    HA   LEU  40           HA       LEU  40  13.540   3.729   3.729
  336   1HB   LEU  40          2HB       LEU  40  11.771   5.149   5.149
  337   2HB   LEU  40          1HB       LEU  40  13.235   4.804   4.804
  338    HG   LEU  40           HG       LEU  40  12.981   2.416   2.416
  339   1HD1  LEU  40          2HD1      LEU  40  10.651   3.741   3.741
  340   2HD1  LEU  40          1HD1      LEU  40  10.119   2.593   2.593
  341   3HD1  LEU  40          3HD1      LEU  40  11.040   2.029   2.029
  342   1HD2  LEU  40          3HD2      LEU  40  12.289   3.589   3.589
  343   2HD2  LEU  40          2HD2      LEU  40  12.587   1.882   1.882
  344   3HD2  LEU  40          1HD2      LEU  40  10.948   2.526   2.526
  345    H    SER  41           H        SER  41  15.259   5.675   5.675
  346    HA   SER  41           HA       SER  41  16.954   7.088   7.088
  347   1HB   SER  41          2HB       SER  41  18.170   7.279   7.279
  348   2HB   SER  41          1HB       SER  41  16.845   6.382   6.382
  349    HG   SER  41           HG       SER  41  18.024   4.456   4.456
  350    H    HIS  42           H        HIS  42  16.635   3.628   3.628
  351    HA   HIS  42           HA       HIS  42  19.146   2.739   2.739
  352   1HB   HIS  42          2HB       HIS  42  16.415   1.744   1.744
  353   2HB   HIS  42          1HB       HIS  42  17.283   0.912   0.912
  354    HD1  HIS  42           HD1      HIS  42  18.209   2.144   2.144
  355    HD2  HIS  42           HD2      HIS  42  18.719  -1.187  -1.187
  356    HE1  HIS  42           HE1      HIS  42  19.577   0.478   0.478
  357    H    PHE  43           H        PHE  43  16.255   2.076   2.076
  358    HA   PHE  43           HA       PHE  43  17.509   2.205   2.205
  359   1HB   PHE  43          2HB       PHE  43  15.442   1.318   1.318
  360   2HB   PHE  43          1HB       PHE  43  14.801   2.107   2.107
  361    HD1  PHE  43           HD2      PHE  43  13.975   4.429   4.429
  362    HD2  PHE  43           HD1      PHE  43  15.158   2.257   2.257
  363    HE1  PHE  43           HE2      PHE  43  12.773   6.073   6.073
  364    HE2  PHE  43           HE1      PHE  43  13.967   3.912   3.912
  365    HZ   PHE  43           HZ       PHE  43  12.772   5.819   5.819
  366    H    LEU  44           H        LEU  44  16.674   4.807   4.807
  367    HA   LEU  44           HA       LEU  44  16.223   6.970   6.970
  368   1HB   LEU  44          2HB       LEU  44  16.424   6.776   6.776
  369   2HB   LEU  44          1HB       LEU  44  18.158   6.980   6.980
  370    HG   LEU  44           HG       LEU  44  17.839   9.136   9.136
  371   1HD1  LEU  44          2HD1      LEU  44  15.111   8.086   8.086
  372   2HD1  LEU  44          1HD1      LEU  44  15.175   9.781   9.781
  373   3HD1  LEU  44          3HD1      LEU  44  15.987   9.257   9.257
  374   1HD2  LEU  44          1HD2      LEU  44  17.604   8.857   8.857
  375   2HD2  LEU  44          3HD2      LEU  44  16.984  10.359  10.359
  376   3HD2  LEU  44          2HD2      LEU  44  15.870   9.061   9.061
  377    H    GLU  45           H        GLU  45  19.109   5.105   5.105
  378    HA   GLU  45           HA       GLU  45  20.991   6.862   6.862
  379   1HB   GLU  45          2HB       GLU  45  20.940   4.541   4.541
  380   2HB   GLU  45          1HB       GLU  45  21.763   4.086   4.086
  381   1HG   GLU  45          2HG       GLU  45  23.353   4.986   4.986
  382   2HG   GLU  45          1HG       GLU  45  23.287   6.002   6.002
  383    H    GLU  46           H        GLU  46  18.609   4.646   4.646
  384    HA   GLU  46           HA       GLU  46  18.187   3.439   3.439
  385   1HB   GLU  46          2HB       GLU  46  17.590   5.048   5.048
  386   2HB   GLU  46          1HB       GLU  46  17.873   6.089   6.089
  387   1HG   GLU  46          2HG       GLU  46  20.308   6.256   6.256
  388   2HG   GLU  46          1HG       GLU  46  19.657   5.617   5.617
  389    H    ILE  47           H        ILE  47  21.045   3.212   3.212
  390    HA   ILE  47           HA       ILE  47  22.382   2.797   2.797
  391    HB   ILE  47           HB       ILE  47  23.447   4.504   4.504
  392   1HG1  ILE  47          2HG1      ILE  47  25.649   3.503   3.503
  393   2HG1  ILE  47          1HG1      ILE  47  24.942   1.887   1.887
  394   1HG2  ILE  47          2HG2      ILE  47  22.586   2.715   2.715
  395   2HG2  ILE  47          1HG2      ILE  47  24.304   3.064   3.064
  396   3HG2  ILE  47          3HG2      ILE  47  23.138   4.387   4.387
  397   1HD1  ILE  47          1HD1      ILE  47  24.155   3.423   3.423
  398   2HD1  ILE  47          3HD1      ILE  47  25.898   3.171   3.171
  399   3HD1  ILE  47          2HD1      ILE  47  24.805   1.787   1.787
  400    H    LYS  48           H        LYS  48  21.408   1.398   1.398
  401    HA   LYS  48           HA       LYS  48  23.053  -0.961  -0.961
  402   1HB   LYS  48          2HB       LYS  48  20.194  -0.964  -0.964
  403   2HB   LYS  48          1HB       LYS  48  21.604  -1.705  -1.705
  404   1HG   LYS  48          2HG       LYS  48  20.814   1.214   1.214
  405   2HG   LYS  48          1HG       LYS  48  21.047   0.146   0.146
  406   1HD   LYS  48          2HD       LYS  48  23.463  -0.033  -0.033
  407   2HD   LYS  48          1HD       LYS  48  23.211   1.139   1.139
  408   1HE   LYS  48          2HE       LYS  48  22.316   2.753   2.753
  409   2HE   LYS  48          1HE       LYS  48  22.834   1.599   1.599
  410   1HZ   LYS  48          2HZ       LYS  48  24.889   1.923   1.923
  411   2HZ   LYS  48          1HZ       LYS  48  24.421   3.452   3.452
  412   3HZ   LYS  48          3HZ       LYS  48  24.927   2.257   2.257
  413    H    GLU  49           H        GLU  49  20.488   0.140   0.140
  414    HA   GLU  49           HA       GLU  49  20.451  -2.409  -2.409
  415   1HB   GLU  49          2HB       GLU  49  17.855  -2.207  -2.207
  416   2HB   GLU  49          1HB       GLU  49  18.708  -2.869  -2.869
  417   1HG   GLU  49          2HG       GLU  49  18.719  -0.131  -0.131
  418   2HG   GLU  49          1HG       GLU  49  17.139  -0.401  -0.401
  419    H    GLN  50           H        GLN  50  21.294  -1.236  -1.236
  420    HA   GLN  50           HA       GLN  50  20.312   1.304   1.304
  421   1HB   GLN  50          2HB       GLN  50  21.602   0.745   0.745
  422   2HB   GLN  50          1HB       GLN  50  22.494   0.248   0.248
  423   1HG   GLN  50          2HG       GLN  50  21.537  -2.059  -2.059
  424   2HG   GLN  50          1HG       GLN  50  20.843  -1.526  -1.526
  425   1HE2  GLN  50          2HE2      GLN  50  24.959  -1.566  -1.566
  426   2HE2  GLN  50          1HE2      GLN  50  24.082  -1.055  -1.055
  427    H    GLU  51           H        GLU  51  19.516  -2.037  -2.037
  428    HA   GLU  51           HA       GLU  51  17.718  -1.412  -1.412
  429   1HB   GLU  51          2HB       GLU  51  18.564  -3.656  -3.656
  430   2HB   GLU  51          1HB       GLU  51  17.655  -3.640  -3.640
  431   1HG   GLU  51          2HG       GLU  51  15.725  -2.991  -2.991
  432   2HG   GLU  51          1HG       GLU  51  16.720  -4.161  -4.161
  433    H    VAL  52           H        VAL  52  17.294  -1.287  -1.287
  434    HA   VAL  52           HA       VAL  52  14.399  -1.070  -1.070
  435    HB   VAL  52           HB       VAL  52  16.623  -0.498  -0.498
  436   1HG1  VAL  52          1HG1      VAL  52  13.712   0.179   0.179
  437   2HG1  VAL  52          3HG1      VAL  52  14.510  -0.418  -0.418
  438   3HG1  VAL  52          2HG1      VAL  52  15.100   1.044   1.044
  439   1HG2  VAL  52          3HG2      VAL  52  15.824  -2.861  -2.861
  440   2HG2  VAL  52          2HG2      VAL  52  15.888  -2.487  -2.487
  441   3HG2  VAL  52          1HG2      VAL  52  14.342  -2.467  -2.467
  442    H    VAL  53           H        VAL  53  17.086   1.258   1.258
  443    HA   VAL  53           HA       VAL  53  15.673   3.665   3.665
  444    HB   VAL  53           HB       VAL  53  18.094   3.056   3.056
  445   1HG1  VAL  53          2HG1      VAL  53  16.856   5.559   5.559
  446   2HG1  VAL  53          1HG1      VAL  53  18.608   5.479   5.479
  447   3HG1  VAL  53          3HG1      VAL  53  17.567   5.271   5.271
  448   1HG2  VAL  53          2HG2      VAL  53  17.822   2.512   2.512
  449   2HG2  VAL  53          1HG2      VAL  53  19.354   2.872   2.872
  450   3HG2  VAL  53          3HG2      VAL  53  18.469   4.153   4.153
  451    H    ASP  54           H        ASP  54  16.191   1.550   1.550
  452    HA   ASP  54           HA       ASP  54  15.059   3.305   3.305
  453   1HB   ASP  54          2HB       ASP  54  16.366   1.573   1.573
  454   2HB   ASP  54          1HB       ASP  54  15.780   0.411   0.411
  455    H    LYS  55           H        LYS  55  13.828   0.754   0.754
  456    HA   LYS  55           HA       LYS  55  11.086   0.865   0.865
  457   1HB   LYS  55          2HB       LYS  55  12.614  -0.328  -0.328
  458   2HB   LYS  55          1HB       LYS  55  10.853  -0.366  -0.366
  459   1HG   LYS  55          2HG       LYS  55  12.173  -2.364  -2.364
  460   2HG   LYS  55          1HG       LYS  55  10.727  -1.756  -1.756
  461   1HD   LYS  55          2HD       LYS  55  12.119  -0.377  -0.377
  462   2HD   LYS  55          1HD       LYS  55  13.571  -0.961  -0.961
  463   1HE   LYS  55          2HE       LYS  55  13.519  -2.491  -2.491
  464   2HE   LYS  55          1HE       LYS  55  12.424  -3.338  -3.338
  465   1HZ   LYS  55          3HZ       LYS  55  11.491  -1.269  -1.269
  466   2HZ   LYS  55          2HZ       LYS  55  11.518  -2.923  -2.923
  467   3HZ   LYS  55          1HZ       LYS  55  10.549  -2.363  -2.363
  468    H    VAL  56           H        VAL  56  12.439   1.712   1.712
  469    HA   VAL  56           HA       VAL  56  10.404   3.101   3.101
  470    HB   VAL  56           HB       VAL  56  13.369   3.691   3.691
  471   1HG1  VAL  56          3HG1      VAL  56  11.416   5.474   5.474
  472   2HG1  VAL  56          2HG1      VAL  56  12.098   4.713   4.713
  473   3HG1  VAL  56          1HG1      VAL  56  13.154   5.547   5.547
  474   1HG2  VAL  56          2HG2      VAL  56  12.030   1.611   1.611
  475   2HG2  VAL  56          1HG2      VAL  56  13.595   2.209   2.209
  476   3HG2  VAL  56          3HG2      VAL  56  12.114   2.750   2.750
  477    H    MET  57           H        MET  57  12.804   4.747   4.747
  478    HA   MET  57           HA       MET  57  11.397   7.222   7.222
  479   1HB   MET  57          2HB       MET  57  13.305   5.802   5.802
  480   2HB   MET  57          1HB       MET  57  12.876   7.510   7.510
  481   1HG   MET  57          2HG       MET  57  13.609   7.101   7.101
  482   2HG   MET  57          1HG       MET  57  14.812   6.235   6.235
  483   1HE   MET  57          3HE       MET  57  12.557   9.108   9.108
  484   2HE   MET  57          2HE       MET  57  13.530  10.567  10.567
  485   3HE   MET  57          1HE       MET  57  13.055   9.664   9.664
  486    H    GLU  58           H        GLU  58  11.261   4.271   4.271
  487    HA   GLU  58           HA       GLU  58   9.665   5.149   5.149
  488   1HB   GLU  58          2HB       GLU  58  10.163   2.980   2.980
  489   2HB   GLU  58          1HB       GLU  58  10.473   2.692   2.692
  490   1HG   GLU  58          2HG       GLU  58   8.678   1.223   1.223
  491   2HG   GLU  58          1HG       GLU  58   7.980   2.482   2.482
  492    H    THR  59           H        THR  59   8.609   3.941   3.941
  493    HA   THR  59           HA       THR  59   5.803   4.156   4.156
  494    HB   THR  59           HB       THR  59   6.908   4.756   4.756
  495    HG1  THR  59           HG1      THR  59   8.418   3.327   3.327
  496   1HG2  THR  59          3HG2      THR  59   4.881   2.953   2.953
  497   2HG2  THR  59          2HG2      THR  59   5.498   2.552   2.552
  498   3HG2  THR  59          1HG2      THR  59   4.682   4.091   4.091
  499    H    LEU  60           H        LEU  60   8.082   6.511   6.511
  500    HA   LEU  60           HA       LEU  60   6.208   8.576   8.576
  501   1HB   LEU  60          2HB       LEU  60   9.112   8.241   8.241
  502   2HB   LEU  60          1HB       LEU  60   8.521   9.876   9.876
  503    HG   LEU  60           HG       LEU  60   7.202   9.113   9.113
  504   1HD1  LEU  60          2HD1      LEU  60   8.731   7.142   7.142
  505   2HD1  LEU  60          1HD1      LEU  60  10.104   8.249   8.249
  506   3HD1  LEU  60          3HD1      LEU  60   8.935   8.237   8.237
  507   1HD2  LEU  60          2HD2      LEU  60   8.718  11.194  11.194
  508   2HD2  LEU  60          1HD2      LEU  60   8.185  11.022  11.022
  509   3HD2  LEU  60          3HD2      LEU  60   9.803  10.500  10.500
  510    H    ASP  61           H        ASP  61   7.717   7.566   7.566
  511    HA   ASP  61           HA       ASP  61   6.682   9.896   9.896
  512   1HB   ASP  61          2HB       ASP  61   8.576   7.607   7.607
  513   2HB   ASP  61          1HB       ASP  61   7.845   8.351   8.351
  514    H    SER  62           H        SER  62   5.561   6.978   6.978
  515    HA   SER  62           HA       SER  62   4.216   5.852   5.852
  516   1HB   SER  62          2HB       SER  62   4.712   4.759   4.759
  517   2HB   SER  62          1HB       SER  62   3.563   5.831   5.831
  518    HG   SER  62           HG       SER  62   1.917   4.857   4.857
  519    H    ASP  63           H        ASP  63   3.038   7.943   7.943
  520    HA   ASP  63           HA       ASP  63   1.497   9.777   9.777
  521   1HB   ASP  63          2HB       ASP  63   0.420   7.054   7.054
  522   2HB   ASP  63          1HB       ASP  63  -0.770   8.214   8.214
  523    H    GLY  64           H        GLY  64   0.486   7.310   7.310
  524   1HA   GLY  64          2HA       GLY  64  -1.021   8.829   8.829
  525   2HA   GLY  64          1HA       GLY  64   0.090   7.591   7.591
  526    H    ASP  65           H        ASP  65   2.425   9.007   9.007
  527    HA   ASP  65           HA       ASP  65   3.374  10.432  10.432
  528   1HB   ASP  65          2HB       ASP  65   4.657   9.625   9.625
  529   2HB   ASP  65          1HB       ASP  65   3.883  10.847  10.847
  530    H    GLY  66           H        GLY  66   1.904  11.873  11.873
  531   1HA   GLY  66          2HA       GLY  66   1.889  14.554  14.554
  532   2HA   GLY  66          1HA       GLY  66   0.708  13.885  13.885
  533    H    GLU  67           H        GLU  67  -0.342  11.901  11.901
  534    HA   GLU  67           HA       GLU  67  -1.478  13.514  13.514
  535   1HB   GLU  67          2HB       GLU  67  -2.882  13.758  13.758
  536   2HB   GLU  67          1HB       GLU  67  -3.105  12.008  12.008
  537   1HG   GLU  67          2HG       GLU  67  -4.973  12.558  12.558
  538   2HG   GLU  67          1HG       GLU  67  -3.819  12.514  12.514
  539    H    CYS  68           H        CYS  68  -0.044  11.925  11.925
  540    HA   CYS  68           HA       CYS  68  -0.829   9.085   9.085
  541   1HB   CYS  68          2HB       CYS  68   1.418  10.701  10.701
  542   2HB   CYS  68          1HB       CYS  68   0.955   9.732   9.732
  543    HG   CYS  68           HG       CYS  68   1.075   8.083   8.083
  544    H    ASP  69           H        ASP  69  -2.923   9.022   9.022
  545    HA   ASP  69           HA       ASP  69  -3.492  10.213  10.213
  546   1HB   ASP  69          2HB       ASP  69  -5.018   8.686   8.686
  547   2HB   ASP  69          1HB       ASP  69  -5.733   9.054   9.054
  548    H    PHE  70           H        PHE  70  -4.913   8.626   8.626
  549    HA   PHE  70           HA       PHE  70  -3.553   6.986   6.986
  550   1HB   PHE  70          2HB       PHE  70  -6.247   6.375   6.375
  551   2HB   PHE  70          1HB       PHE  70  -5.654   5.761   5.761
  552    HD1  PHE  70           HD1      PHE  70  -4.086   8.425   8.425
  553    HD2  PHE  70           HD2      PHE  70  -8.128   7.549   7.549
  554    HE1  PHE  70           HE1      PHE  70  -4.859  10.508  10.508
  555    HE2  PHE  70           HE2      PHE  70  -8.886   9.625   9.625
  556    HZ   PHE  70           HZ       PHE  70  -7.221  11.112  11.112
  557    H    GLN  71           H        GLN  71  -5.402   5.215   5.215
  558    HA   GLN  71           HA       GLN  71  -3.858   2.844   2.844
  559   1HB   GLN  71          2HB       GLN  71  -5.869   2.426   2.426
  560   2HB   GLN  71          1HB       GLN  71  -5.948   4.030   4.030
  561   1HG   GLN  71          2HG       GLN  71  -3.943   2.076   2.076
  562   2HG   GLN  71          1HG       GLN  71  -5.638   1.867   1.867
  563   1HE2  GLN  71          2HE2      GLN  71  -3.635   4.445   4.445
  564   2HE2  GLN  71          1HE2      GLN  71  -3.039   3.037   3.037
  565    H    GLU  72           H        GLU  72  -3.125   5.820   5.820
  566    HA   GLU  72           HA       GLU  72  -1.274   4.657   4.657
  567   1HB   GLU  72          2HB       GLU  72  -1.438   7.548   7.548
  568   2HB   GLU  72          1HB       GLU  72  -1.132   6.868   6.868
  569   1HG   GLU  72          2HG       GLU  72  -3.596   5.816   5.816
  570   2HG   GLU  72          1HG       GLU  72  -3.689   7.407   7.407
  571    H    PHE  73           H        PHE  73  -0.969   6.645   6.645
  572    HA   PHE  73           HA       PHE  73   1.869   6.666   6.666
  573   1HB   PHE  73          2HB       PHE  73   0.863   8.050   8.050
  574   2HB   PHE  73          1HB       PHE  73  -0.325   6.827   6.827
  575    HD1  PHE  73           HD2      PHE  73   3.262   6.028   6.028
  576    HD2  PHE  73           HD1      PHE  73   0.135   7.016   7.016
  577    HE1  PHE  73           HE2      PHE  73   4.667   5.270   5.270
  578    HE2  PHE  73           HE1      PHE  73   1.540   6.252   6.252
  579    HZ   PHE  73           HZ       PHE  73   3.813   5.368   5.368
  580    H    MET  74           H        MET  74  -0.460   4.346   4.346
  581    HA   MET  74           HA       MET  74   1.431   2.445   2.445
  582   1HB   MET  74          2HB       MET  74  -1.431   2.433   2.433
  583   2HB   MET  74          1HB       MET  74  -0.656   0.925   0.925
  584   1HG   MET  74          2HG       MET  74  -0.496   1.557   1.557
  585   2HG   MET  74          1HG       MET  74  -0.412   3.282   3.282
  586   1HE   MET  74          3HE       MET  74  -2.030   3.680   3.680
  587   2HE   MET  74          2HE       MET  74  -3.685   3.084   3.084
  588   3HE   MET  74          1HE       MET  74  -2.349   1.975   1.975
  589    H    ALA  75           H        ALA  75  -0.042   2.963   2.963
  590    HA   ALA  75           HA       ALA  75   0.676   0.501   0.501
  591   1HB   ALA  75          2HB       ALA  75   0.154   3.326   3.326
  592   2HB   ALA  75          1HB       ALA  75   0.407   2.001   2.001
  593   3HB   ALA  75          3HB       ALA  75  -0.961   1.959   1.959
  594    H    PHE  76           H        PHE  76   2.216   3.699   3.699
  595    HA   PHE  76           HA       PHE  76   4.523   2.649   2.649
  596   1HB   PHE  76          2HB       PHE  76   3.831   4.878   4.878
  597   2HB   PHE  76          1HB       PHE  76   3.699   5.267   5.267
  598    HD1  PHE  76           HD1      PHE  76   6.274   4.029   4.029
  599    HD2  PHE  76           HD2      PHE  76   5.404   6.514   6.514
  600    HE1  PHE  76           HE1      PHE  76   8.605   4.875   4.875
  601    HE2  PHE  76           HE2      PHE  76   7.735   7.357   7.357
  602    HZ   PHE  76           HZ       PHE  76   9.335   6.539   6.539
  603    H    VAL  77           H        VAL  77   3.992   3.923   3.923
  604    HA   VAL  77           HA       VAL  77   6.615   3.569   3.569
  605    HB   VAL  77           HB       VAL  77   4.528   4.467   4.467
  606   1HG1  VAL  77          1HG1      VAL  77   3.156   2.407   2.407
  607   2HG1  VAL  77          3HG1      VAL  77   4.153   1.517   1.517
  608   3HG1  VAL  77          2HG1      VAL  77   3.151   2.858   2.858
  609   1HG2  VAL  77          3HG2      VAL  77   6.452   2.505   2.505
  610   2HG2  VAL  77          2HG2      VAL  77   6.534   4.267   4.267
  611   3HG2  VAL  77          1HG2      VAL  77   5.303   3.441   3.441
  612    H    ALA  78           H        ALA  78   4.015   1.223   1.223
  613    HA   ALA  78           HA       ALA  78   5.361  -1.089  -1.089
  614   1HB   ALA  78          2HB       ALA  78   2.922  -0.857  -0.857
  615   2HB   ALA  78          1HB       ALA  78   3.338  -0.848  -0.848
  616   3HB   ALA  78          3HB       ALA  78   3.640  -2.285  -2.285
  617    H    MET  79           H        MET  79   5.089   0.279   0.279
  618    HA   MET  79           HA       MET  79   6.627  -1.636  -1.636
  619   1HB   MET  79          2HB       MET  79   5.618   1.071   1.071
  620   2HB   MET  79          1HB       MET  79   7.218   0.924   0.924
  621   1HG   MET  79          2HG       MET  79   4.805  -0.821  -0.821
  622   2HG   MET  79          1HG       MET  79   5.550   0.340   0.340
  623   1HE   MET  79          1HE       MET  79   8.035   0.455   0.455
  624   2HE   MET  79          3HE       MET  79   9.153  -0.913  -0.913
  625   3HE   MET  79          2HE       MET  79   8.179  -0.483  -0.483
  626    H    ILE  80           H        ILE  80   7.630   1.224   1.224
  627    HA   ILE  80           HA       ILE  80  10.455   1.033   1.033
  628    HB   ILE  80           HB       ILE  80   9.164   2.014   2.014
  629   1HG1  ILE  80          2HG1      ILE  80   7.870   3.034   3.034
  630   2HG1  ILE  80          1HG1      ILE  80   9.071   4.230   4.230
  631   1HG2  ILE  80          2HG2      ILE  80  11.759   2.395   2.395
  632   2HG2  ILE  80          1HG2      ILE  80  11.072   3.806   3.806
  633   3HG2  ILE  80          3HG2      ILE  80  11.413   2.340   2.340
  634   1HD1  ILE  80          3HD1      ILE  80  10.261   2.657   2.657
  635   2HD1  ILE  80          2HD1      ILE  80   8.628   3.022   3.022
  636   3HD1  ILE  80          1HD1      ILE  80   9.729   4.329   4.329
  637    H    THR  81           H        THR  81   8.901   0.322   0.322
  638    HA   THR  81           HA       THR  81  10.964  -1.140  -1.140
  639    HB   THR  81           HB       THR  81   8.058  -1.937  -1.937
  640    HG1  THR  81           HG1      THR  81   9.322   0.473   0.473
  641   1HG2  THR  81          3HG2      THR  81  10.332  -2.687  -2.687
  642   2HG2  THR  81          2HG2      THR  81   9.634  -1.433  -1.433
  643   3HG2  THR  81          1HG2      THR  81   8.675  -2.847  -2.847
  644    H    THR  82           H        THR  82   8.404  -2.396  -2.396
  645    HA   THR  82           HA       THR  82   9.328  -5.141  -5.141
  646    HB   THR  82           HB       THR  82   7.824  -5.345  -5.345
  647    HG1  THR  82           HG1      THR  82   8.240  -2.605  -2.605
  648   1HG2  THR  82          2HG2      THR  82   7.026  -3.928  -3.928
  649   2HG2  THR  82          1HG2      THR  82   5.853  -3.920  -3.920
  650   3HG2  THR  82          3HG2      THR  82   6.438  -5.452  -5.452
  651    H    ALA  83           H        ALA  83  10.595  -2.310  -2.310
  652    HA   ALA  83           HA       ALA  83  11.909  -3.689  -3.689
  653   1HB   ALA  83          2HB       ALA  83  10.960  -1.404  -1.404
  654   2HB   ALA  83          1HB       ALA  83  12.081  -0.841  -0.841
  655   3HB   ALA  83          3HB       ALA  83  12.695  -1.414  -1.414
  656    H    CYS  84           H        CYS  84  12.596  -2.787  -2.787
  657    HA   CYS  84           HA       CYS  84  15.507  -2.787  -2.787
  658   1HB   CYS  84          2HB       CYS  84  14.439  -1.375  -1.375
  659   2HB   CYS  84          1HB       CYS  84  13.612  -2.761  -2.761
  660    HG   CYS  84           HG       CYS  84  16.722  -2.773  -2.773
  661    H    HIS  85           H        HIS  85  13.510  -5.253  -5.253
  662    HA   HIS  85           HA       HIS  85  13.891  -7.588  -7.588
  663   1HB   HIS  85          2HB       HIS  85  16.368  -6.377  -6.377
  664   2HB   HIS  85          1HB       HIS  85  16.362  -7.434  -7.434
  665    HD1  HIS  85           HD1      HIS  85  14.926  -7.955  -7.955
  666    HD2  HIS  85           HD2      HIS  85  17.582  -9.760  -9.760
  667    HE1  HIS  85           HE1      HIS  85  15.677 -10.112 -10.112
  668    H    GLU  86           H        GLU  86  15.182  -9.059  -9.059
  669    HA   GLU  86           HA       GLU  86  14.860  -9.833  -9.833
  670   1HB   GLU  86          2HB       GLU  86  13.129  -7.402  -7.402
  671   2HB   GLU  86          1HB       GLU  86  14.141  -8.267  -8.267
  672   1HG   GLU  86          2HG       GLU  86  15.912  -7.458  -7.458
  673   2HG   GLU  86          1HG       GLU  86  14.849  -6.070  -6.070
  674    H    PHE  87           H        PHE  87  12.667  -9.988  -9.988
  675    HA   PHE  87           HA       PHE  87  10.955 -11.912 -11.912
  676   1HB   PHE  87          2HB       PHE  87   9.277 -10.812 -10.812
  677   2HB   PHE  87          1HB       PHE  87  10.887 -10.437 -10.437
  678    HD1  PHE  87           HD1      PHE  87  12.044  -8.341  -8.341
  679    HD2  PHE  87           HD2      PHE  87   7.851  -9.058  -9.058
  680    HE1  PHE  87           HE1      PHE  87  11.749  -5.959  -5.959
  681    HE2  PHE  87           HE2      PHE  87   7.579  -6.665  -6.665
  682    HZ   PHE  87           HZ       PHE  87   9.526  -5.121  -5.121
  683    H    PHE  88           H        PHE  88  10.602  -8.515  -8.515
  684    HA   PHE  88           HA       PHE  88   8.130  -9.000  -9.000
  685   1HB   PHE  88          2HB       PHE  88  10.169  -6.887  -6.887
  686   2HB   PHE  88          1HB       PHE  88   9.287  -7.005  -7.005
  687    HD1  PHE  88           HD2      PHE  88   6.705  -8.143  -8.143
  688    HD2  PHE  88           HD1      PHE  88   9.152  -4.679  -4.679
  689    HE1  PHE  88           HE2      PHE  88   4.798  -7.007  -7.007
  690    HE2  PHE  88           HE1      PHE  88   7.227  -3.526  -3.526
  691    HZ   PHE  88           HZ       PHE  88   5.057  -4.691  -4.691
  692    H    GLU  89           H        GLU  89   9.049 -11.188 -11.188
  693    HA   GLU  89           HA       GLU  89  10.929 -11.623 -11.623
  694   1HB   GLU  89          2HB       GLU  89   9.535 -13.407 -13.407
  695   2HB   GLU  89          1HB       GLU  89   8.065 -12.560 -12.560
  696   1HG   GLU  89          2HG       GLU  89   8.428 -12.971 -12.971
  697   2HG   GLU  89          1HG       GLU  89  10.149 -13.277 -13.277
  698    H    HIS  90           H        HIS  90   7.654 -11.359 -11.359
  699    HA   HIS  90           HA       HIS  90   8.655  -9.963  -9.963
  700   1HB   HIS  90          2HB       HIS  90   5.969 -10.947 -10.947
  701   2HB   HIS  90          1HB       HIS  90   6.149 -10.123 -10.123
  702    HD1  HIS  90           HD1      HIS  90   9.203 -11.807 -11.807
  703    HD2  HIS  90           HD2      HIS  90   5.330 -13.125 -13.125
  704    HE1  HIS  90           HE1      HIS  90   9.434 -14.057 -14.057
  705    H    GLU  91           H        GLU  91   6.221  -8.319  -8.319
  706    HA   GLU  91           HA       GLU  91   6.691  -6.245  -6.245
  707   1HB   GLU  91          2HB       GLU  91   6.133  -5.680  -5.680
  708   2HB   GLU  91          1HB       GLU  91   6.818  -4.594  -4.594
  709   1HG   GLU  91          2HG       GLU  91   8.725  -6.381  -6.381
  710   2HG   GLU  91          1HG       GLU  91   8.125  -6.897  -6.897
  711   1H    MET   0          1H        MET   0   6.426   9.688   9.688
  712   2H    MET   0          3H        MET   0   5.813  11.260  11.260
  713   3H    MET   0          2H        MET   0   5.301  10.034  10.034
  714    HA   MET   0           HA       MET   0   6.840  11.201  11.201
  715   1HB   MET   0          2HB       MET   0   7.472  12.466  12.466
  716   2HB   MET   0          1HB       MET   0   8.674  11.202  11.202
  717   1HG   MET   0          2HG       MET   0   9.129  11.845  11.845
  718   2HG   MET   0          1HG       MET   0   8.665  13.410  13.410
  719   1HE   MET   0          1HE       MET   0  10.690  10.557  10.557
  720   2HE   MET   0          3HE       MET   0  12.122  11.539  11.539
  721   3HE   MET   0          2HE       MET   0  12.018  10.599  10.599
  722    H    SER   1           H        SER   1   8.527   9.197   9.197
  723    HA   SER   1           HA       SER   1   9.903   7.693   7.693
  724   1HB   SER   1          2HB       SER   1  11.049   6.685   6.685
  725   2HB   SER   1          1HB       SER   1  10.995   8.436   8.436
  726    HG   SER   1           HG       SER   1  10.345   7.481   7.481
  727    H    GLU   2           H        GLU   2   7.817   6.795   6.795
  728    HA   GLU   2           HA       GLU   2   7.371   4.112   4.112
  729   1HB   GLU   2          2HB       GLU   2   5.923   6.390   6.390
  730   2HB   GLU   2          1HB       GLU   2   4.843   5.112   5.112
  731   1HG   GLU   2          2HG       GLU   2   6.395   3.483   3.483
  732   2HG   GLU   2          1HG       GLU   2   7.076   4.911   4.911
  733    H    LEU   3           H        LEU   3   6.244   6.806   6.806
  734    HA   LEU   3           HA       LEU   3   4.149   5.731   5.731
  735   1HB   LEU   3          2HB       LEU   3   4.970   8.019   8.019
  736   2HB   LEU   3          1HB       LEU   3   6.508   7.481   7.481
  737    HG   LEU   3           HG       LEU   3   4.384   8.380   8.380
  738   1HD1  LEU   3          1HD1      LEU   3   6.945   7.076   7.076
  739   2HD1  LEU   3          3HD1      LEU   3   5.814   6.754   6.754
  740   3HD1  LEU   3          2HD1      LEU   3   6.211   8.413   8.413
  741   1HD2  LEU   3          3HD2      LEU   3   3.345   6.024   6.024
  742   2HD2  LEU   3          2HD2      LEU   3   3.233   6.643   6.643
  743   3HD2  LEU   3          1HD2      LEU   3   4.462   5.448   5.448
  744    H    GLU   4           H        GLU   4   7.431   5.920   5.920
  745    HA   GLU   4           HA       GLU   4   7.012   3.844   3.844
  746   1HB   GLU   4          2HB       GLU   4   9.210   5.477   5.477
  747   2HB   GLU   4          1HB       GLU   4   9.718   3.956   3.956
  748   1HG   GLU   4          2HG       GLU   4   7.968   6.047   6.047
  749   2HG   GLU   4          1HG       GLU   4   9.689   5.820   5.820
  750    H    LYS   5           H        LYS   5   8.398   3.844   3.844
  751    HA   LYS   5           HA       LYS   5   9.337   1.188   1.188
  752   1HB   LYS   5          2HB       LYS   5   7.816   2.861   2.861
  753   2HB   LYS   5          1HB       LYS   5   8.825   1.469   1.469
  754   1HG   LYS   5          2HG       LYS   5  10.219   3.429   3.429
  755   2HG   LYS   5          1HG       LYS   5   9.695   4.105   4.105
  756   1HD   LYS   5          2HD       LYS   5  11.079   1.429   1.429
  757   2HD   LYS   5          1HD       LYS   5  12.007   2.930   2.930
  758   1HE   LYS   5          2HE       LYS   5  11.227   3.508   3.508
  759   2HE   LYS   5          1HE       LYS   5   9.826   2.424   2.424
  760   1HZ   LYS   5          2HZ       LYS   5  12.549   1.331   1.331
  761   2HZ   LYS   5          1HZ       LYS   5  11.915   1.647   1.647
  762   3HZ   LYS   5          3HZ       LYS   5  11.125   0.557   0.557
  763    H    ALA   6           H        ALA   6   6.112   2.474   2.474
  764    HA   ALA   6           HA       ALA   6   4.623   0.197   0.197
  765   1HB   ALA   6          1HB       ALA   6   3.954   2.671   2.671
  766   2HB   ALA   6          3HB       ALA   6   3.753   2.058   2.058
  767   3HB   ALA   6          2HB       ALA   6   2.789   1.387   1.387
  768    H    VAL   7           H        VAL   7   5.829   1.201   1.201
  769    HA   VAL   7           HA       VAL   7   4.770  -0.950  -0.950
  770    HB   VAL   7           HB       VAL   7   6.615   1.264   1.264
  771   1HG1  VAL   7          1HG1      VAL   7   8.257  -0.756  -0.756
  772   2HG1  VAL   7          3HG1      VAL   7   7.538  -1.020  -1.020
  773   3HG1  VAL   7          2HG1      VAL   7   8.351   0.505   0.505
  774   1HG2  VAL   7          3HG2      VAL   7   4.684  -0.217  -0.217
  775   2HG2  VAL   7          2HG2      VAL   7   5.069   1.504   1.504
  776   3HG2  VAL   7          1HG2      VAL   7   6.040   0.381   0.381
  777    H    VAL   8           H        VAL   8   7.694  -0.609  -0.609
  778    HA   VAL   8           HA       VAL   8   8.848  -3.185  -3.185
  779    HB   VAL   8           HB       VAL   8   8.907  -1.387  -1.387
  780   1HG1  VAL   8          1HG1      VAL   8  10.004  -4.016  -4.016
  781   2HG1  VAL   8          3HG1      VAL   8  11.310  -2.846  -2.846
  782   3HG1  VAL   8          2HG1      VAL   8  10.096  -3.024  -3.024
  783   1HG2  VAL   8          2HG2      VAL   8   9.855  -0.910  -0.910
  784   2HG2  VAL   8          1HG2      VAL   8  10.418  -0.110  -0.110
  785   3HG2  VAL   8          3HG2      VAL   8  11.274  -1.522  -1.522
  786    H    ALA   9           H        ALA   9   6.410  -2.018  -2.018
  787    HA   ALA   9           HA       ALA   9   6.073  -4.438  -4.438
  788   1HB   ALA   9          2HB       ALA   9   4.976  -1.837  -1.837
  789   2HB   ALA   9          1HB       ALA   9   3.622  -2.937  -2.937
  790   3HB   ALA   9          3HB       ALA   9   4.597  -3.062  -3.062
  791    H    LEU  10           H        LEU  10   4.972  -3.344  -3.344
  792    HA   LEU  10           HA       LEU  10   2.978  -5.433  -5.433
  793   1HB   LEU  10          2HB       LEU  10   4.476  -3.674  -3.674
  794   2HB   LEU  10          1HB       LEU  10   2.996  -4.578  -4.578
  795    HG   LEU  10           HG       LEU  10   3.343  -2.242  -2.242
  796   1HD1  LEU  10          1HD1      LEU  10   1.815  -2.792  -2.792
  797   2HD1  LEU  10          3HD1      LEU  10   1.231  -1.574  -1.574
  798   3HD1  LEU  10          2HD1      LEU  10   2.828  -1.405  -1.405
  799   1HD2  LEU  10          2HD2      LEU  10   1.411  -4.484  -4.484
  800   2HD2  LEU  10          1HD2      LEU  10   1.873  -3.381  -3.381
  801   3HD2  LEU  10          3HD2      LEU  10   0.689  -2.878  -2.878
  802    H    ILE  11           H        ILE  11   6.438  -5.174  -5.174
  803    HA   ILE  11           HA       ILE  11   6.719  -7.470  -7.470
  804    HB   ILE  11           HB       ILE  11   9.027  -7.077  -7.077
  805   1HG1  ILE  11          2HG1      ILE  11   9.434  -5.335  -5.335
  806   2HG1  ILE  11          1HG1      ILE  11   8.372  -6.592  -6.592
  807   1HG2  ILE  11          3HG2      ILE  11   7.757  -5.171  -5.171
  808   2HG2  ILE  11          2HG2      ILE  11   7.786  -4.398  -4.398
  809   3HG2  ILE  11          1HG2      ILE  11   9.292  -4.701  -4.701
  810   1HD1  ILE  11          3HD1      ILE  11  10.340  -7.803  -7.803
  811   2HD1  ILE  11          2HD1      ILE  11  11.154  -6.789  -6.789
  812   3HD1  ILE  11          1HD1      ILE  11  10.064  -8.070  -8.070
  813    H    ASP  12           H        ASP  12   6.547  -6.885  -6.885
  814    HA   ASP  12           HA       ASP  12   7.488  -9.460  -9.460
  815   1HB   ASP  12          2HB       ASP  12   6.734  -6.977  -6.977
  816   2HB   ASP  12          1HB       ASP  12   5.471  -8.068  -8.068
  817    H    VAL  13           H        VAL  13   4.267  -8.045  -8.045
  818    HA   VAL  13           HA       VAL  13   2.803 -10.424 -10.424
  819    HB   VAL  13           HB       VAL  13   0.993  -9.088  -9.088
  820   1HG1  VAL  13          3HG1      VAL  13   2.963  -7.678  -7.678
  821   2HG1  VAL  13          2HG1      VAL  13   1.348  -7.050  -7.050
  822   3HG1  VAL  13          1HG1      VAL  13   1.544  -8.607  -8.607
  823   1HG2  VAL  13          2HG2      VAL  13   3.248  -7.301  -7.301
  824   2HG2  VAL  13          1HG2      VAL  13   2.033  -8.066  -8.066
  825   3HG2  VAL  13          3HG2      VAL  13   1.576  -6.764  -6.764
  826    H    PHE  14           H        PHE  14   3.656  -8.903  -8.903
  827    HA   PHE  14           HA       PHE  14   2.442 -10.745 -10.745
  828   1HB   PHE  14          2HB       PHE  14   4.735  -8.922  -8.922
  829   2HB   PHE  14          1HB       PHE  14   5.029 -10.424 -10.424
  830    HD1  PHE  14           HD2      PHE  14   3.364 -11.311 -11.311
  831    HD2  PHE  14           HD1      PHE  14   3.024  -7.393  -7.393
  832    HE1  PHE  14           HE2      PHE  14   1.655 -10.714 -10.714
  833    HE2  PHE  14           HE1      PHE  14   1.342  -6.791  -6.791
  834    HZ   PHE  14           HZ       PHE  14   0.645  -8.453  -8.453
  835    H    HIS  15           H        HIS  15   5.670 -11.080 -11.080
  836    HA   HIS  15           HA       HIS  15   6.372 -13.648 -13.648
  837   1HB   HIS  15          2HB       HIS  15   8.069 -12.903 -12.903
  838   2HB   HIS  15          1HB       HIS  15   7.000 -11.786 -11.786
  839    HD1  HIS  15           HD1      HIS  15   7.801 -12.261 -12.261
  840    HD2  HIS  15           HD2      HIS  15   6.611 -15.722 -15.722
  841    HE1  HIS  15           HE1      HIS  15   7.765 -14.111 -14.111
  842    H    GLN  16           H        GLN  16   4.551 -12.830 -12.830
  843    HA   GLN  16           HA       GLN  16   3.789 -15.541 -15.541
  844   1HB   GLN  16          2HB       GLN  16   2.507 -12.866 -12.866
  845   2HB   GLN  16          1HB       GLN  16   2.284 -14.393 -14.393
  846   1HG   GLN  16          2HG       GLN  16   4.743 -14.455 -14.455
  847   2HG   GLN  16          1HG       GLN  16   4.884 -12.864 -12.864
  848   1HE2  GLN  16          2HE2      GLN  16   2.846 -13.125 -13.125
  849   2HE2  GLN  16          1HE2      GLN  16   2.820 -14.450 -14.450
  850    H    TYR  17           H        TYR  17   1.625 -12.882 -12.882
  851    HA   TYR  17           HA       TYR  17  -0.677 -14.097 -14.097
  852   1HB   TYR  17          2HB       TYR  17   0.916 -11.783 -11.783
  853   2HB   TYR  17          1HB       TYR  17  -0.432 -12.257 -12.257
  854    HD1  TYR  17           HD1      TYR  17  -2.727 -12.306 -12.306
  855    HD2  TYR  17           HD2      TYR  17   0.554 -10.957 -10.957
  856    HE1  TYR  17           HE1      TYR  17  -4.332 -11.307 -11.307
  857    HE2  TYR  17           HE2      TYR  17  -1.056  -9.912  -9.912
  858    HH   TYR  17           HH       TYR  17  -3.203  -9.682  -9.682
  859    H    SER  18           H        SER  18   1.896 -13.577 -13.577
  860    HA   SER  18           HA       SER  18   0.606 -15.577 -15.577
  861   1HB   SER  18          2HB       SER  18   2.972 -13.704 -13.704
  862   2HB   SER  18          1HB       SER  18   2.491 -14.803 -14.803
  863    HG   SER  18           HG       SER  18   0.485 -13.781 -13.781
  864    H    GLY  19           H        GLY  19   2.713 -15.796 -15.796
  865   1HA   GLY  19          2HA       GLY  19   3.936 -18.269 -18.269
  866   2HA   GLY  19          1HA       GLY  19   4.935 -17.127 -17.127
  867    H    ARG  20           H        ARG  20   1.611 -17.763 -17.763
  868    HA   ARG  20           HA       ARG  20   2.640 -19.221 -19.221
  869   1HB   ARG  20          2HB       ARG  20   0.973 -18.038 -18.038
  870   2HB   ARG  20          1HB       ARG  20   1.760 -16.832 -16.832
  871   1HG   ARG  20          2HG       ARG  20  -0.056 -16.915 -16.915
  872   2HG   ARG  20          1HG       ARG  20  -0.805 -18.263 -18.263
  873   1HD   ARG  20          2HD       ARG  20  -0.281 -15.670 -15.670
  874   2HD   ARG  20          1HD       ARG  20  -1.736 -15.865 -15.865
  875    HE   ARG  20           HE       ARG  20  -2.193 -17.956 -17.956
  876   1HH1  ARG  20          1HH2      ARG  20  -0.529 -18.790 -18.790
  877   2HH1  ARG  20          2HH2      ARG  20  -0.571 -17.723 -17.723
  878   1HH2  ARG  20          2HH1      ARG  20  -2.076 -15.132 -15.132
  879   2HH2  ARG  20          1HH1      ARG  20  -1.441 -15.658 -15.658
  880    H    GLU  21           H        GLU  21   0.838 -19.542 -19.542
  881    HA   GLU  21           HA       GLU  21  -0.789 -21.762 -21.762
  882   1HB   GLU  21          2HB       GLU  21  -1.915 -19.569 -19.569
  883   2HB   GLU  21          1HB       GLU  21  -1.545 -20.172 -20.172
  884   1HG   GLU  21          2HG       GLU  21  -3.813 -20.852 -20.852
  885   2HG   GLU  21          1HG       GLU  21  -2.768 -22.264 -22.264
  886    H    GLY  22           H        GLY  22   1.243 -20.652 -20.652
  887   1HA   GLY  22          2HA       GLY  22   2.439 -22.977 -22.977
  888   2HA   GLY  22          1HA       GLY  22   0.874 -23.125 -23.125
  889    H    ASP  23           H        ASP  23   0.307 -20.706 -20.706
  890    HA   ASP  23           HA       ASP  23   1.710 -20.373 -20.373
  891   1HB   ASP  23          2HB       ASP  23   0.497 -18.222 -18.222
  892   2HB   ASP  23          1HB       ASP  23   0.764 -18.089 -18.089
  893    H    LYS  24           H        LYS  24   3.229 -18.559 -18.559
  894    HA   LYS  24           HA       LYS  24   5.501 -18.467 -18.467
  895   1HB   LYS  24          2HB       LYS  24   4.963 -18.235 -18.235
  896   2HB   LYS  24          1HB       LYS  24   6.060 -16.971 -16.971
  897   1HG   LYS  24          2HG       LYS  24   6.401 -19.944 -19.944
  898   2HG   LYS  24          1HG       LYS  24   7.318 -18.985 -18.985
  899   1HD   LYS  24          2HD       LYS  24   8.684 -18.169 -18.169
  900   2HD   LYS  24          1HD       LYS  24   7.328 -17.798 -17.798
  901   1HE   LYS  24          2HE       LYS  24   7.309 -20.496 -20.496
  902   2HE   LYS  24          1HE       LYS  24   9.039 -20.230 -20.230
  903   1HZ   LYS  24          1HZ       LYS  24   8.746 -18.314 -18.314
  904   2HZ   LYS  24          3HZ       LYS  24   7.348 -19.141 -19.141
  905   3HZ   LYS  24          2HZ       LYS  24   8.864 -19.899 -19.899
  906    H    HIS  25           H        HIS  25   4.505 -15.803 -15.803
  907    HA   HIS  25           HA       HIS  25   4.110 -14.078 -14.078
  908   1HB   HIS  25          2HB       HIS  25   6.093 -13.906 -13.906
  909   2HB   HIS  25          1HB       HIS  25   5.455 -12.400 -12.400
  910    HD1  HIS  25           HD1      HIS  25   8.343 -14.170 -14.170
  911    HD2  HIS  25           HD2      HIS  25   5.427 -13.064 -13.064
  912    HE1  HIS  25           HE1      HIS  25   9.446 -14.258 -14.258
  913    H    LYS  26           H        LYS  26   1.875 -14.881 -14.881
  914    HA   LYS  26           HA       LYS  26   0.942 -12.436 -12.436
  915   1HB   LYS  26          2HB       LYS  26   0.938 -15.239 -15.239
  916   2HB   LYS  26          1HB       LYS  26  -0.052 -13.930 -13.930
  917   1HG   LYS  26          2HG       LYS  26   1.785 -13.581 -13.581
  918   2HG   LYS  26          1HG       LYS  26   2.339 -12.675 -12.675
  919   1HD   LYS  26          2HD       LYS  26   3.169 -15.107 -15.107
  920   2HD   LYS  26          1HD       LYS  26   3.201 -15.353 -15.353
  921   1HE   LYS  26          2HE       LYS  26   4.410 -12.932 -12.932
  922   2HE   LYS  26          1HE       LYS  26   4.915 -13.602 -13.602
  923   1HZ   LYS  26          2HZ       LYS  26   4.976 -15.309 -15.309
  924   2HZ   LYS  26          1HZ       LYS  26   6.242 -14.205 -14.205
  925   3HZ   LYS  26          3HZ       LYS  26   5.919 -15.402 -15.402
  926    H    LEU  27           H        LEU  27  -0.844 -11.935 -11.935
  927    HA   LEU  27           HA       LEU  27  -2.348 -14.063 -14.063
  928   1HB   LEU  27          2HB       LEU  27  -2.620 -11.044 -11.044
  929   2HB   LEU  27          1HB       LEU  27  -3.480 -12.090 -12.090
  930    HG   LEU  27           HG       LEU  27  -0.472 -11.957 -11.957
  931   1HD1  LEU  27          3HD1      LEU  27  -2.464 -10.412 -10.412
  932   2HD1  LEU  27          2HD1      LEU  27  -0.883 -10.785 -10.785
  933   3HD1  LEU  27          1HD1      LEU  27  -0.997  -9.840  -9.840
  934   1HD2  LEU  27          1HD2      LEU  27  -1.991 -13.939 -13.939
  935   2HD2  LEU  27          3HD2      LEU  27  -0.432 -13.485 -13.485
  936   3HD2  LEU  27          2HD2      LEU  27  -1.922 -12.873 -12.873
  937    H    LYS  28           H        LYS  28  -4.767 -14.083 -14.083
  938    HA   LYS  28           HA       LYS  28  -5.855 -12.917 -12.917
  939   1HB   LYS  28          2HB       LYS  28  -6.143 -15.860 -15.860
  940   2HB   LYS  28          1HB       LYS  28  -6.387 -15.006 -15.006
  941   1HG   LYS  28          2HG       LYS  28  -3.972 -14.550 -14.550
  942   2HG   LYS  28          1HG       LYS  28  -3.718 -15.364 -15.364
  943   1HD   LYS  28          2HD       LYS  28  -5.153 -16.869 -16.869
  944   2HD   LYS  28          1HD       LYS  28  -3.407 -16.661 -16.661
  945   1HE   LYS  28          2HE       LYS  28  -3.194 -18.433 -18.433
  946   2HE   LYS  28          1HE       LYS  28  -3.781 -17.359 -17.359
  947   1HZ   LYS  28          2HZ       LYS  28  -6.051 -17.961 -17.961
  948   2HZ   LYS  28          1HZ       LYS  28  -5.193 -19.420 -19.420
  949   3HZ   LYS  28          3HZ       LYS  28  -5.498 -18.784 -18.784
  950    H    LYS  29           H        LYS  29  -8.272 -13.792 -13.792
  951    HA   LYS  29           HA       LYS  29  -9.946 -12.701 -12.701
  952   1HB   LYS  29          2HB       LYS  29 -11.098 -15.260 -15.260
  953   2HB   LYS  29          1HB       LYS  29 -11.408 -13.788 -13.788
  954   1HG   LYS  29          2HG       LYS  29  -9.836 -14.336 -14.336
  955   2HG   LYS  29          1HG       LYS  29  -9.013 -15.500 -15.500
  956   1HD   LYS  29          2HD       LYS  29 -10.652 -17.122 -17.122
  957   2HD   LYS  29          1HD       LYS  29 -11.885 -15.939 -15.939
  958   1HE   LYS  29          2HE       LYS  29 -11.178 -17.187 -17.187
  959   2HE   LYS  29          1HE       LYS  29 -10.633 -15.503 -15.503
  960   1HZ   LYS  29          1HZ       LYS  29  -8.991 -17.680 -17.680
  961   2HZ   LYS  29          3HZ       LYS  29  -8.860 -17.180 -17.180
  962   3HZ   LYS  29          2HZ       LYS  29  -8.494 -16.096 -16.096
  963    H    SER  30           H        SER  30  -8.253 -15.767 -15.767
  964    HA   SER  30           HA       SER  30  -9.525 -16.375 -16.375
  965   1HB   SER  30          2HB       SER  30  -6.802 -17.338 -17.338
  966   2HB   SER  30          1HB       SER  30  -8.110 -18.236 -18.236
  967    HG   SER  30           HG       SER  30  -9.225 -18.192 -18.192
  968    H    GLU  31           H        GLU  31  -6.134 -15.424 -15.424
  969    HA   GLU  31           HA       GLU  31  -5.570 -14.693 -14.693
  970   1HB   GLU  31          2HB       GLU  31  -4.158 -13.774 -13.774
  971   2HB   GLU  31          1HB       GLU  31  -3.460 -14.001 -14.001
  972   1HG   GLU  31          2HG       GLU  31  -4.609 -16.474 -16.474
  973   2HG   GLU  31          1HG       GLU  31  -3.898 -15.962 -15.962
  974    H    LEU  32           H        LEU  32  -6.268 -12.803 -12.803
  975    HA   LEU  32           HA       LEU  32  -6.034 -10.186 -10.186
  976   1HB   LEU  32          2HB       LEU  32  -6.766 -11.191 -11.191
  977   2HB   LEU  32          1HB       LEU  32  -8.395 -11.194 -11.194
  978    HG   LEU  32           HG       LEU  32  -7.886  -8.695  -8.695
  979   1HD1  LEU  32          3HD1      LEU  32  -5.608  -9.503  -9.503
  980   2HD1  LEU  32          2HD1      LEU  32  -6.400  -8.002  -8.002
  981   3HD1  LEU  32          1HD1      LEU  32  -5.738  -8.170  -8.170
  982   1HD2  LEU  32          2HD2      LEU  32  -9.288  -9.921  -9.921
  983   2HD2  LEU  32          1HD2      LEU  32  -9.178  -8.168  -8.168
  984   3HD2  LEU  32          3HD2      LEU  32  -8.122  -9.025  -9.025
  985    H    LYS  33           H        LYS  33  -8.929 -12.285 -12.285
  986    HA   LYS  33           HA       LYS  33 -10.538 -10.456 -10.456
  987   1HB   LYS  33          2HB       LYS  33 -10.357 -13.464 -13.464
  988   2HB   LYS  33          1HB       LYS  33 -11.592 -12.691 -12.691
  989   1HG   LYS  33          2HG       LYS  33 -11.142 -12.250 -12.250
  990   2HG   LYS  33          1HG       LYS  33 -12.504 -13.094 -13.094
  991   1HD   LYS  33          2HD       LYS  33 -12.421 -10.616 -10.616
  992   2HD   LYS  33          1HD       LYS  33 -12.101 -10.238 -10.238
  993   1HE   LYS  33          2HE       LYS  33 -14.492 -10.205 -10.205
  994   2HE   LYS  33          1HE       LYS  33 -14.121 -11.766 -11.766
  995   1HZ   LYS  33          2HZ       LYS  33 -14.399 -11.319 -11.319
  996   2HZ   LYS  33          1HZ       LYS  33 -15.592 -12.013 -12.013
  997   3HZ   LYS  33          3HZ       LYS  33 -14.111 -12.808 -12.808
  998    H    GLU  34           H        GLU  34  -8.440 -13.113 -13.113
  999    HA   GLU  34           HA       GLU  34  -8.767 -12.637 -12.637
 1000   1HB   GLU  34          2HB       GLU  34  -7.310 -14.300 -14.300
 1001   2HB   GLU  34          1HB       GLU  34  -6.053 -13.348 -13.348
 1002   1HG   GLU  34          2HG       GLU  34  -6.559 -14.181 -14.181
 1003   2HG   GLU  34          1HG       GLU  34  -8.255 -14.454 -14.454
 1004    H    LEU  35           H        LEU  35  -6.734 -11.137 -11.137
 1005    HA   LEU  35           HA       LEU  35  -4.925  -9.638  -9.638
 1006   1HB   LEU  35          2HB       LEU  35  -5.933  -9.836  -9.836
 1007   2HB   LEU  35          1HB       LEU  35  -5.904  -8.126  -8.126
 1008    HG   LEU  35           HG       LEU  35  -3.606 -10.086 -10.086
 1009   1HD1  LEU  35          2HD1      LEU  35  -4.224  -7.597  -7.597
 1010   2HD1  LEU  35          1HD1      LEU  35  -2.598  -8.288  -8.288
 1011   3HD1  LEU  35          3HD1      LEU  35  -3.904  -9.234  -9.234
 1012   1HD2  LEU  35          2HD2      LEU  35  -4.155  -7.842  -7.842
 1013   2HD2  LEU  35          1HD2      LEU  35  -2.664  -8.799  -8.799
 1014   3HD2  LEU  35          3HD2      LEU  35  -2.867  -7.381  -7.381
 1015    H    ILE  36           H        ILE  36  -8.154  -8.560  -8.560
 1016    HA   ILE  36           HA       ILE  36  -7.853  -6.217  -6.217
 1017    HB   ILE  36           HB       ILE  36 -10.351  -5.952  -5.952
 1018   1HG1  ILE  36          2HG1      ILE  36 -10.125  -8.533  -8.533
 1019   2HG1  ILE  36          1HG1      ILE  36 -11.274  -7.407  -7.407
 1020   1HG2  ILE  36          2HG2      ILE  36  -7.898  -5.780  -5.780
 1021   2HG2  ILE  36          1HG2      ILE  36  -9.460  -5.436  -5.436
 1022   3HG2  ILE  36          3HG2      ILE  36  -8.916  -4.490  -4.490
 1023   1HD1  ILE  36          1HD1      ILE  36  -8.476  -7.666  -7.666
 1024   2HD1  ILE  36          3HD1      ILE  36  -9.767  -8.754  -8.754
 1025   3HD1  ILE  36          2HD1      ILE  36  -9.913  -7.018  -7.018
 1026    H    ASN  37           H        ASN  37  -9.445  -9.305  -9.305
 1027    HA   ASN  37           HA       ASN  37 -11.021  -8.887  -8.887
 1028   1HB   ASN  37          2HB       ASN  37 -10.100 -11.443 -11.443
 1029   2HB   ASN  37          1HB       ASN  37 -11.517 -11.214 -11.214
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.792 -11.102 -11.102
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.117 -12.270 -12.270
 1032    H    ASN  38           H        ASN  38  -7.720  -9.108  -9.108
 1033    HA   ASN  38           HA       ASN  38  -7.124 -10.860 -10.860
 1034   1HB   ASN  38          2HB       ASN  38  -5.780  -9.636  -9.636
 1035   2HB   ASN  38          1HB       ASN  38  -4.902  -9.261  -9.261
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.396 -13.252 -13.252
 1037   2HD2  ASN  38          1HD2      ASN  38  -6.628 -12.158 -12.158
 1038    H    GLU  39           H        GLU  39  -6.879  -7.371  -7.371
 1039    HA   GLU  39           HA       GLU  39  -6.914  -6.859  -6.859
 1040   1HB   GLU  39          2HB       GLU  39  -4.820  -6.458  -6.458
 1041   2HB   GLU  39          1HB       GLU  39  -5.609  -4.879  -4.879
 1042   1HG   GLU  39          2HG       GLU  39  -4.771  -6.374  -6.374
 1043   2HG   GLU  39          1HG       GLU  39  -3.936  -4.981  -4.981
 1044    H    LEU  40           H        LEU  40  -8.065  -5.930  -5.930
 1045    HA   LEU  40           HA       LEU  40  -9.292  -3.431  -3.431
 1046   1HB   LEU  40          2HB       LEU  40  -8.790  -4.944  -4.944
 1047   2HB   LEU  40          1HB       LEU  40 -10.522  -4.613  -4.613
 1048    HG   LEU  40           HG       LEU  40  -9.707  -2.188  -2.188
 1049   1HD1  LEU  40          2HD1      LEU  40  -7.260  -3.515  -3.515
 1050   2HD1  LEU  40          1HD1      LEU  40  -7.522  -2.410  -2.410
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.502  -1.795  -1.795
 1052   1HD2  LEU  40          3HD2      LEU  40 -10.525  -3.463  -3.463
 1053   2HD2  LEU  40          2HD2      LEU  40 -10.604  -1.741  -1.741
 1054   3HD2  LEU  40          1HD2      LEU  40  -9.187  -2.402  -2.402
 1055    H    SER  41           H        SER  41 -10.113  -5.322  -5.322
 1056    HA   SER  41           HA       SER  41 -12.473  -6.772  -6.772
 1057   1HB   SER  41          2HB       SER  41 -12.390  -6.874  -6.874
 1058   2HB   SER  41          1HB       SER  41 -10.889  -5.970  -5.970
 1059    HG   SER  41           HG       SER  41 -12.190  -4.050  -4.050
 1060    H    HIS  42           H        HIS  42 -12.016  -3.301  -3.301
 1061    HA   HIS  42           HA       HIS  42 -14.680  -2.417  -2.417
 1062   1HB   HIS  42          2HB       HIS  42 -12.183  -1.445  -1.445
 1063   2HB   HIS  42          1HB       HIS  42 -13.636  -0.652  -0.652
 1064    HD1  HIS  42           HD1      HIS  42 -12.416  -1.740  -1.740
 1065    HD2  HIS  42           HD2      HIS  42 -14.258   1.504   1.504
 1066    HE1  HIS  42           HE1      HIS  42 -12.805  -0.006  -0.006
 1067    H    PHE  43           H        PHE  43 -13.368  -1.866  -1.866
 1068    HA   PHE  43           HA       PHE  43 -15.815  -2.081  -2.081
 1069   1HB   PHE  43          2HB       PHE  43 -14.305  -1.237  -1.237
 1070   2HB   PHE  43          1HB       PHE  43 -12.955  -1.976  -1.976
 1071    HD1  PHE  43           HD2      PHE  43 -12.331  -4.317  -4.317
 1072    HD2  PHE  43           HD1      PHE  43 -15.283  -2.254  -2.254
 1073    HE1  PHE  43           HE2      PHE  43 -12.117  -6.036  -6.036
 1074    HE2  PHE  43           HE1      PHE  43 -15.085  -3.982  -3.982
 1075    HZ   PHE  43           HZ       PHE  43 -13.500  -5.871  -5.871
 1076    H    LEU  44           H        LEU  44 -13.895  -4.608  -4.608
 1077    HA   LEU  44           HA       LEU  44 -14.463  -6.840  -6.840
 1078   1HB   LEU  44          2HB       LEU  44 -13.171  -6.547  -6.547
 1079   2HB   LEU  44          1HB       LEU  44 -14.737  -6.733  -6.733
 1080    HG   LEU  44           HG       LEU  44 -15.035  -8.927  -8.927
 1081   1HD1  LEU  44          2HD1      LEU  44 -12.969  -7.927  -7.927
 1082   2HD1  LEU  44          1HD1      LEU  44 -12.731  -9.602  -9.602
 1083   3HD1  LEU  44          3HD1      LEU  44 -14.237  -9.121  -9.121
 1084   1HD2  LEU  44          1HD2      LEU  44 -13.416  -8.574  -8.574
 1085   2HD2  LEU  44          3HD2      LEU  44 -13.267 -10.100 -10.100
 1086   3HD2  LEU  44          2HD2      LEU  44 -12.120  -8.794  -8.794
 1087    H    GLU  45           H        GLU  45 -16.486  -4.908  -4.908
 1088    HA   GLU  45           HA       GLU  45 -18.795  -6.698  -6.698
 1089   1HB   GLU  45          2HB       GLU  45 -17.861  -4.314  -4.314
 1090   2HB   GLU  45          1HB       GLU  45 -19.389  -3.909  -3.909
 1091   1HG   GLU  45          2HG       GLU  45 -19.748  -4.729  -4.729
 1092   2HG   GLU  45          1HG       GLU  45 -20.489  -5.798  -5.798
 1093    H    GLU  46           H        GLU  46 -17.410  -4.549  -4.549
 1094    HA   GLU  46           HA       GLU  46 -18.191  -3.423  -3.423
 1095   1HB   GLU  46          2HB       GLU  46 -18.550  -5.097  -5.097
 1096   2HB   GLU  46          1HB       GLU  46 -17.981  -6.078  -6.078
 1097   1HG   GLU  46          2HG       GLU  46 -20.482  -6.257  -6.257
 1098   2HG   GLU  46          1HG       GLU  46 -20.809  -5.685  -5.685
 1099    H    ILE  47           H        ILE  47 -20.011  -3.121  -3.121
 1100    HA   ILE  47           HA       ILE  47 -22.615  -2.797  -2.797
 1101    HB   ILE  47           HB       ILE  47 -22.701  -4.439  -4.439
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.365  -3.400  -3.400
 1103   2HG1  ILE  47          1HG1      ILE  47 -23.782  -1.794  -1.794
 1104   1HG2  ILE  47          2HG2      ILE  47 -20.830  -2.583  -2.583
 1105   2HG2  ILE  47          1HG2      ILE  47 -22.152  -2.904  -2.904
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.197  -4.241  -4.241
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.455  -3.430  -3.430
 1108   2HD1  ILE  47          3HD1      ILE  47 -25.835  -3.150  -3.150
 1109   3HD1  ILE  47          2HD1      ILE  47 -24.944  -1.782  -1.782
 1110    H    LYS  48           H        LYS  48 -20.102  -1.297  -1.297
 1111    HA   LYS  48           HA       LYS  48 -21.498   1.081   1.081
 1112   1HB   LYS  48          2HB       LYS  48 -18.597   1.083   1.083
 1113   2HB   LYS  48          1HB       LYS  48 -19.350   1.867   1.867
 1114   1HG   LYS  48          2HG       LYS  48 -18.663  -1.059  -1.059
 1115   2HG   LYS  48          1HG       LYS  48 -18.091   0.064   0.064
 1116   1HD   LYS  48          2HD       LYS  48 -20.418   0.251   0.251
 1117   2HD   LYS  48          1HD       LYS  48 -20.923  -0.975  -0.975
 1118   1HE   LYS  48          2HE       LYS  48 -19.190  -2.530  -2.530
 1119   2HE   LYS  48          1HE       LYS  48 -18.928  -1.320  -1.320
 1120   1HZ   LYS  48          2HZ       LYS  48 -21.700  -1.699  -1.699
 1121   2HZ   LYS  48          1HZ       LYS  48 -20.966  -3.203  -3.203
 1122   3HZ   LYS  48          3HZ       LYS  48 -20.792  -1.948  -1.948
 1123    H    GLU  49           H        GLU  49 -20.475  -0.125  -0.125
 1124    HA   GLU  49           HA       GLU  49 -21.323   2.357   2.357
 1125   1HB   GLU  49          2HB       GLU  49 -19.108   2.121   2.121
 1126   2HB   GLU  49          1HB       GLU  49 -19.033   2.855   2.855
 1127   1HG   GLU  49          2HG       GLU  49 -18.725   0.133   0.133
 1128   2HG   GLU  49          1HG       GLU  49 -17.821   0.366   0.366
 1129    H    GLN  50           H        GLN  50 -23.016   1.134   1.134
 1130    HA   GLN  50           HA       GLN  50 -22.688  -1.459  -1.459
 1131   1HB   GLN  50          2HB       GLN  50 -24.895  -0.958  -0.958
 1132   2HB   GLN  50          1HB       GLN  50 -24.825  -0.394  -0.394
 1133   1HG   GLN  50          2HG       GLN  50 -24.218   1.886   1.886
 1134   2HG   GLN  50          1HG       GLN  50 -24.498   1.288   1.288
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.796   1.396   1.396
 1136   2HE2  GLN  50          1HE2      GLN  50 -26.300   0.917   0.917
 1137    H    GLU  51           H        GLU  51 -22.649   1.832   1.832
 1138    HA   GLU  51           HA       GLU  51 -22.343   1.107   1.107
 1139   1HB   GLU  51          2HB       GLU  51 -22.760   3.380   3.380
 1140   2HB   GLU  51          1HB       GLU  51 -21.157   3.409   3.409
 1141   1HG   GLU  51          2HG       GLU  51 -20.602   2.671   2.671
 1142   2HG   GLU  51          1HG       GLU  51 -21.927   3.819   3.819
 1143    H    VAL  52           H        VAL  52 -20.025   1.111   1.111
 1144    HA   VAL  52           HA       VAL  52 -17.650   0.856   0.856
 1145    HB   VAL  52           HB       VAL  52 -18.383   0.388   0.388
 1146   1HG1  VAL  52          1HG1      VAL  52 -15.880  -0.319  -0.319
 1147   2HG1  VAL  52          3HG1      VAL  52 -15.725   0.345   0.345
 1148   3HG1  VAL  52          2HG1      VAL  52 -16.643  -1.139  -1.139
 1149   1HG2  VAL  52          3HG2      VAL  52 -18.115   2.718   2.718
 1150   2HG2  VAL  52          2HG2      VAL  52 -17.193   2.408   2.408
 1151   3HG2  VAL  52          1HG2      VAL  52 -16.397   2.335   2.335
 1152    H    VAL  53           H        VAL  53 -19.662  -1.427  -1.427
 1153    HA   VAL  53           HA       VAL  53 -18.343  -3.842  -3.842
 1154    HB   VAL  53           HB       VAL  53 -21.332  -3.272  -3.272
 1155   1HG1  VAL  53          2HG1      VAL  53 -19.661  -5.746  -5.746
 1156   2HG1  VAL  53          1HG1      VAL  53 -21.213  -5.650  -5.650
 1157   3HG1  VAL  53          3HG1      VAL  53 -21.145  -5.511  -5.511
 1158   1HG2  VAL  53          2HG2      VAL  53 -19.600  -2.628  -2.628
 1159   2HG2  VAL  53          1HG2      VAL  53 -21.311  -2.994  -2.994
 1160   3HG2  VAL  53          3HG2      VAL  53 -20.100  -4.256  -4.256
 1161    H    ASP  54           H        ASP  54 -20.357  -1.829  -1.829
 1162    HA   ASP  54           HA       ASP  54 -20.530  -3.670  -3.670
 1163   1HB   ASP  54          2HB       ASP  54 -22.111  -1.953  -1.953
 1164   2HB   ASP  54          1HB       ASP  54 -20.968  -0.755  -0.755
 1165    H    LYS  55           H        LYS  55 -18.335  -1.049  -1.049
 1166    HA   LYS  55           HA       LYS  55 -16.619  -1.232  -1.232
 1167   1HB   LYS  55          2HB       LYS  55 -16.608   0.058   0.058
 1168   2HB   LYS  55          1HB       LYS  55 -15.139   0.080   0.080
 1169   1HG   LYS  55          2HG       LYS  55 -16.857   2.051   2.051
 1170   2HG   LYS  55          1HG       LYS  55 -16.101   1.399   1.399
 1171   1HD   LYS  55          2HD       LYS  55 -18.072  -0.020  -0.020
 1172   2HD   LYS  55          1HD       LYS  55 -18.826   0.607   0.607
 1173   1HE   LYS  55          2HE       LYS  55 -19.775   2.078   2.078
 1174   2HE   LYS  55          1HE       LYS  55 -18.249   2.947   2.947
 1175   1HZ   LYS  55          3HZ       LYS  55 -18.538   0.793   0.793
 1176   2HZ   LYS  55          2HZ       LYS  55 -18.798   2.428   2.428
 1177   3HZ   LYS  55          1HZ       LYS  55 -17.271   1.909   1.909
 1178    H    VAL  56           H        VAL  56 -15.926  -1.946  -1.946
 1179    HA   VAL  56           HA       VAL  56 -13.560  -3.315  -3.315
 1180    HB   VAL  56           HB       VAL  56 -16.123  -3.872  -3.872
 1181   1HG1  VAL  56          3HG1      VAL  56 -13.953  -5.644  -5.644
 1182   2HG1  VAL  56          2HG1      VAL  56 -13.709  -4.810  -4.810
 1183   3HG1  VAL  56          1HG1      VAL  56 -15.217  -5.673  -5.673
 1184   1HG2  VAL  56          2HG2      VAL  56 -14.385  -1.765  -1.765
 1185   2HG2  VAL  56          1HG2      VAL  56 -15.364  -2.316  -2.316
 1186   3HG2  VAL  56          3HG2      VAL  56 -13.689  -2.846  -2.846
 1187    H    MET  57           H        MET  57 -16.715  -5.010  -5.010
 1188    HA   MET  57           HA       MET  57 -15.632  -7.510  -7.510
 1189   1HB   MET  57          2HB       MET  57 -18.294  -6.147  -6.147
 1190   2HB   MET  57          1HB       MET  57 -17.981  -7.861  -7.861
 1191   1HG   MET  57          2HG       MET  57 -17.084  -7.336  -7.336
 1192   2HG   MET  57          1HG       MET  57 -18.624  -6.490  -6.490
 1193   1HE   MET  57          3HE       MET  57 -16.732  -9.379  -9.379
 1194   2HE   MET  57          2HE       MET  57 -17.608 -10.837 -10.837
 1195   3HE   MET  57          1HE       MET  57 -18.034  -9.996  -9.996
 1196    H    GLU  58           H        GLU  58 -16.677  -4.636  -4.636
 1197    HA   GLU  58           HA       GLU  58 -16.552  -5.613  -5.613
 1198   1HB   GLU  58          2HB       GLU  58 -17.206  -3.451  -3.451
 1199   2HB   GLU  58          1HB       GLU  58 -16.504  -3.096  -3.096
 1200   1HG   GLU  58          2HG       GLU  58 -15.419  -1.679  -1.679
 1201   2HG   GLU  58          1HG       GLU  58 -14.254  -2.906  -2.906
 1202    H    THR  59           H        THR  59 -13.891  -4.302  -4.302
 1203    HA   THR  59           HA       THR  59 -11.821  -4.562  -4.562
 1204    HB   THR  59           HB       THR  59 -11.202  -5.043  -5.043
 1205    HG1  THR  59           HG1      THR  59 -12.562  -3.599  -3.599
 1206   1HG2  THR  59          3HG2      THR  59 -10.273  -3.313  -3.313
 1207   2HG2  THR  59          2HG2      THR  59  -9.879  -2.846  -2.846
 1208   3HG2  THR  59          1HG2      THR  59  -9.341  -4.404  -4.404
 1209    H    LEU  60           H        LEU  60 -12.836  -6.831  -6.831
 1210    HA   LEU  60           HA       LEU  60 -10.962  -8.898  -8.898
 1211   1HB   LEU  60          2HB       LEU  60 -13.604  -8.543  -8.543
 1212   2HB   LEU  60          1HB       LEU  60 -13.260 -10.196 -10.196
 1213    HG   LEU  60           HG       LEU  60 -10.873  -9.360  -9.360
 1214   1HD1  LEU  60          2HD1      LEU  60 -12.109  -7.366  -7.366
 1215   2HD1  LEU  60          1HD1      LEU  60 -13.188  -8.460  -8.460
 1216   3HD1  LEU  60          3HD1      LEU  60 -11.476  -8.399  -8.399
 1217   1HD2  LEU  60          2HD2      LEU  60 -12.600 -11.452 -11.452
 1218   2HD2  LEU  60          1HD2      LEU  60 -11.220 -11.220 -11.220
 1219   3HD2  LEU  60          3HD2      LEU  60 -12.826 -10.692 -10.692
 1220    H    ASP  61           H        ASP  61 -13.903  -7.988  -7.988
 1221    HA   ASP  61           HA       ASP  61 -13.874 -10.385 -10.385
 1222   1HB   ASP  61          2HB       ASP  61 -15.704  -8.092  -8.092
 1223   2HB   ASP  61          1HB       ASP  61 -15.890  -8.896  -8.896
 1224    H    SER  62           H        SER  62 -12.335  -7.448  -7.448
 1225    HA   SER  62           HA       SER  62 -12.507  -6.425  -6.425
 1226   1HB   SER  62          2HB       SER  62 -11.723  -5.229  -5.229
 1227   2HB   SER  62          1HB       SER  62 -10.314  -6.285  -6.285
 1228    HG   SER  62           HG       SER  62  -9.551  -5.384  -5.384
 1229    H    ASP  63           H        ASP  63 -10.043  -8.423  -8.423
 1230    HA   ASP  63           HA       ASP  63  -9.527 -10.329 -10.329
 1231   1HB   ASP  63          2HB       ASP  63  -8.796  -7.630  -7.630
 1232   2HB   ASP  63          1HB       ASP  63  -7.458  -8.773  -8.773
 1233    H    GLY  64           H        GLY  64  -7.364  -7.781  -7.781
 1234   1HA   GLY  64          2HA       GLY  64  -5.128  -9.252  -9.252
 1235   2HA   GLY  64          1HA       GLY  64  -5.724  -7.981  -7.981
 1236    H    ASP  65           H        ASP  65  -8.253  -9.403  -9.403
 1237    HA   ASP  65           HA       ASP  65  -7.794 -10.732 -10.732
 1238   1HB   ASP  65          2HB       ASP  65  -9.958  -9.978  -9.978
 1239   2HB   ASP  65          1HB       ASP  65  -9.873 -11.247 -11.247
 1240    H    GLY  66           H        GLY  66  -8.217 -12.307 -12.307
 1241   1HA   GLY  66          2HA       GLY  66  -7.681 -14.954 -14.954
 1242   2HA   GLY  66          1HA       GLY  66  -7.350 -14.345 -14.345
 1243    H    GLU  67           H        GLU  67  -5.478 -12.306 -12.306
 1244    HA   GLU  67           HA       GLU  67  -3.261 -13.850 -13.850
 1245   1HB   GLU  67          2HB       GLU  67  -3.264 -14.186 -14.186
 1246   2HB   GLU  67          1HB       GLU  67  -3.105 -12.441 -12.441
 1247   1HG   GLU  67          2HG       GLU  67  -0.870 -12.970 -12.970
 1248   2HG   GLU  67          1HG       GLU  67  -1.069 -12.855 -12.855
 1249    H    CYS  68           H        CYS  68  -3.812 -12.198 -12.198
 1250    HA   CYS  68           HA       CYS  68  -3.245  -9.370  -9.370
 1251   1HB   CYS  68          2HB       CYS  68  -4.664 -10.932 -10.932
 1252   2HB   CYS  68          1HB       CYS  68  -3.508  -9.910  -9.910
 1253    HG   CYS  68           HG       CYS  68  -5.074  -8.363  -8.363
 1254    H    ASP  69           H        ASP  69  -1.009  -9.303  -9.303
 1255    HA   ASP  69           HA       ASP  69   0.952 -10.394 -10.394
 1256   1HB   ASP  69          2HB       ASP  69   1.015  -8.968  -8.968
 1257   2HB   ASP  69          1HB       ASP  69   2.491  -9.292  -9.292
 1258    H    PHE  70           H        PHE  70   2.897  -8.774  -8.774
 1259    HA   PHE  70           HA       PHE  70   2.663  -7.056  -7.056
 1260   1HB   PHE  70          2HB       PHE  70   4.200  -6.521  -6.521
 1261   2HB   PHE  70          1HB       PHE  70   4.577  -5.850  -5.850
 1262    HD1  PHE  70           HD1      PHE  70   3.670  -8.457  -8.457
 1263    HD2  PHE  70           HD2      PHE  70   6.336  -7.699  -7.699
 1264    HE1  PHE  70           HE1      PHE  70   4.954 -10.502 -10.502
 1265    HE2  PHE  70           HE2      PHE  70   7.609  -9.742  -9.742
 1266    HZ   PHE  70           HZ       PHE  70   6.890 -11.148 -11.148
 1267    H    GLN  71           H        GLN  71   2.818  -5.403  -5.403
 1268    HA   GLN  71           HA       GLN  71   1.621  -3.006  -3.006
 1269   1HB   GLN  71          2HB       GLN  71   2.709  -2.657  -2.657
 1270   2HB   GLN  71          1HB       GLN  71   2.376  -4.288  -4.288
 1271   1HG   GLN  71          2HG       GLN  71   0.096  -2.353  -2.353
 1272   2HG   GLN  71          1HG       GLN  71   1.246  -2.176  -2.176
 1273   1HE2  GLN  71          2HE2      GLN  71  -1.584  -4.812  -4.812
 1274   2HE2  GLN  71          1HE2      GLN  71  -1.686  -3.372  -3.372
 1275    H    GLU  72           H        GLU  72   0.178  -6.025  -6.025
 1276    HA   GLU  72           HA       GLU  72  -2.474  -4.915  -4.915
 1277   1HB   GLU  72          2HB       GLU  72  -1.842  -7.777  -7.777
 1278   2HB   GLU  72          1HB       GLU  72  -3.002  -7.154  -7.154
 1279   1HG   GLU  72          2HG       GLU  72  -0.641  -6.112  -6.112
 1280   2HG   GLU  72          1HG       GLU  72  -0.120  -7.674  -7.674
 1281    H    PHE  73           H        PHE  73  -1.016  -6.799  -6.799
 1282    HA   PHE  73           HA       PHE  73  -3.336  -6.762  -6.762
 1283   1HB   PHE  73          2HB       PHE  73  -1.596  -8.117  -8.117
 1284   2HB   PHE  73          1HB       PHE  73  -0.366  -6.909  -6.909
 1285    HD1  PHE  73           HD2      PHE  73  -3.515  -6.058  -6.058
 1286    HD2  PHE  73           HD1      PHE  73   0.638  -6.980  -6.980
 1287    HE1  PHE  73           HE2      PHE  73  -3.627  -5.201  -5.201
 1288    HE2  PHE  73           HE1      PHE  73   0.520  -6.116  -6.116
 1289    HZ   PHE  73           HZ       PHE  73  -1.619  -5.216  -5.216
 1290    H    MET  74           H        MET  74  -0.637  -4.460  -4.460
 1291    HA   MET  74           HA       MET  74  -1.661  -2.501  -2.501
 1292   1HB   MET  74          2HB       MET  74   0.427  -2.795  -2.795
 1293   2HB   MET  74          1HB       MET  74  -0.107  -1.137  -1.137
 1294   1HG   MET  74          2HG       MET  74   0.305  -1.450  -1.450
 1295   2HG   MET  74          1HG       MET  74   0.891  -3.080  -3.080
 1296   1HE   MET  74          3HE       MET  74   2.721  -3.662  -3.662
 1297   2HE   MET  74          2HE       MET  74   4.172  -3.027  -3.027
 1298   3HE   MET  74          1HE       MET  74   3.784  -2.546  -2.546
 1299    H    ALA  75           H        ALA  75  -2.246  -3.201  -3.201
 1300    HA   ALA  75           HA       ALA  75  -3.508  -0.719  -0.719
 1301   1HB   ALA  75          2HB       ALA  75  -3.570  -3.575  -3.575
 1302   2HB   ALA  75          1HB       ALA  75  -4.456  -2.293  -2.293
 1303   3HB   ALA  75          3HB       ALA  75  -2.698  -2.208  -2.208
 1304    H    PHE  76           H        PHE  76  -4.976  -3.903  -3.903
 1305    HA   PHE  76           HA       PHE  76  -7.651  -2.863  -2.863
 1306   1HB   PHE  76          2HB       PHE  76  -7.327  -5.120  -5.120
 1307   2HB   PHE  76          1HB       PHE  76  -6.248  -5.449  -5.449
 1308    HD1  PHE  76           HD1      PHE  76  -9.763  -4.269  -4.269
 1309    HD2  PHE  76           HD2      PHE  76  -7.104  -6.625  -6.625
 1310    HE1  PHE  76           HE1      PHE  76 -11.691  -5.084  -5.084
 1311    HE2  PHE  76           HE2      PHE  76  -9.028  -7.436  -7.436
 1312    HZ   PHE  76           HZ       PHE  76 -11.323  -6.667  -6.667
 1313    H    VAL  77           H        VAL  77  -5.356  -4.037  -4.037
 1314    HA   VAL  77           HA       VAL  77  -6.955  -3.604  -3.604
 1315    HB   VAL  77           HB       VAL  77  -4.541  -4.470  -4.470
 1316   1HG1  VAL  77          1HG1      VAL  77  -3.731  -2.444  -2.444
 1317   2HG1  VAL  77          3HG1      VAL  77  -3.914  -1.496  -1.496
 1318   3HG1  VAL  77          2HG1      VAL  77  -2.756  -2.826  -2.826
 1319   1HG2  VAL  77          3HG2      VAL  77  -5.430  -2.424  -2.424
 1320   2HG2  VAL  77          2HG2      VAL  77  -5.481  -4.182  -4.182
 1321   3HG2  VAL  77          1HG2      VAL  77  -3.933  -3.339  -3.339
 1322    H    ALA  78           H        ALA  78  -5.105  -1.315  -1.315
 1323    HA   ALA  78           HA       ALA  78  -5.635   1.061   1.061
 1324   1HB   ALA  78          2HB       ALA  78  -3.956   0.703   0.703
 1325   2HB   ALA  78          1HB       ALA  78  -5.285   0.697   0.697
 1326   3HB   ALA  78          3HB       ALA  78  -4.929   2.153   2.153
 1327    H    MET  79           H        MET  79  -7.258  -0.435  -0.435
 1328    HA   MET  79           HA       MET  79  -9.331   1.448   1.448
 1329   1HB   MET  79          2HB       MET  79  -8.654  -1.283  -1.283
 1330   2HB   MET  79          1HB       MET  79 -10.387  -1.137  -1.137
 1331   1HG   MET  79          2HG       MET  79  -8.724   0.548   0.548
 1332   2HG   MET  79          1HG       MET  79  -9.947  -0.640  -0.640
 1333   1HE   MET  79          1HE       MET  79 -11.959  -0.720  -0.720
 1334   2HE   MET  79          3HE       MET  79 -12.943   0.658   0.658
 1335   3HE   MET  79          2HE       MET  79 -12.928   0.159   0.159
 1336    H    ILE  80           H        ILE  80  -9.072  -1.320  -1.320
 1337    HA   ILE  80           HA       ILE  80 -11.735  -1.120  -1.120
 1338    HB   ILE  80           HB       ILE  80  -9.217  -2.012  -2.012
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.093  -3.105  -3.105
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.805  -4.275  -4.275
 1341   1HG2  ILE  80          2HG2      ILE  80 -12.148  -2.424  -2.424
 1342   2HG2  ILE  80          1HG2      ILE  80 -11.107  -3.808  -3.808
 1343   3HG2  ILE  80          3HG2      ILE  80 -10.889  -2.304  -2.304
 1344   1HD1  ILE  80          3HD1      ILE  80 -11.957  -2.770  -2.770
 1345   2HD1  ILE  80          2HD1      ILE  80 -10.922  -3.172  -3.172
 1346   3HD1  ILE  80          1HD1      ILE  80 -11.565  -4.450  -4.450
 1347    H    THR  81           H        THR  81  -8.697  -0.303  -0.303
 1348    HA   THR  81           HA       THR  81  -9.751   1.228   1.228
 1349    HB   THR  81           HB       THR  81  -7.254   2.000   2.000
 1350    HG1  THR  81           HG1      THR  81  -7.931  -0.374  -0.374
 1351   1HG2  THR  81          3HG2      THR  81  -8.350   2.822   2.822
 1352   2HG2  THR  81          2HG2      THR  81  -7.199   1.585   1.585
 1353   3HG2  THR  81          1HG2      THR  81  -6.649   2.967   2.967
 1354    H    THR  82           H        THR  82  -8.863   2.368   2.368
 1355    HA   THR  82           HA       THR  82  -9.612   5.124   5.124
 1356    HB   THR  82           HB       THR  82  -9.492   5.226   5.226
 1357    HG1  THR  82           HG1      THR  82  -9.798   2.498   2.498
 1358   1HG2  THR  82          2HG2      THR  82  -7.409   3.910   3.910
 1359   2HG2  THR  82          1HG2      THR  82  -7.184   3.838   3.838
 1360   3HG2  THR  82          3HG2      THR  82  -7.327   5.400   5.400
 1361    H    ALA  83           H        ALA  83 -11.411   2.261   2.261
 1362    HA   ALA  83           HA       ALA  83 -13.800   3.569   3.569
 1363   1HB   ALA  83          2HB       ALA  83 -13.109   1.271   1.271
 1364   2HB   ALA  83          1HB       ALA  83 -13.318   0.762   0.762
 1365   3HB   ALA  83          3HB       ALA  83 -14.712   1.280   1.280
 1366    H    CYS  84           H        CYS  84 -12.507   2.812   2.812
 1367    HA   CYS  84           HA       CYS  84 -15.099   2.825   2.825
 1368   1HB   CYS  84          2HB       CYS  84 -13.275   1.462   1.462
 1369   2HB   CYS  84          1HB       CYS  84 -12.197   2.862   2.862
 1370    HG   CYS  84           HG       CYS  84 -14.741   2.916   2.916
 1371    H    HIS  85           H        HIS  85 -13.715   5.242   5.242
 1372    HA   HIS  85           HA       HIS  85 -14.043   7.581   7.581
 1373   1HB   HIS  85          2HB       HIS  85 -15.978   6.409   6.409
 1374   2HB   HIS  85          1HB       HIS  85 -15.189   7.518   7.518
 1375    HD1  HIS  85           HD1      HIS  85 -15.985   7.890   7.890
 1376    HD2  HIS  85           HD2      HIS  85 -16.699   9.834   9.834
 1377    HE1  HIS  85           HE1      HIS  85 -17.232  10.019  10.019
 1378    H    GLU  86           H        GLU  86 -13.941   9.154   9.154
 1379    HA   GLU  86           HA       GLU  86 -12.433  10.005  10.005
 1380   1HB   GLU  86          2HB       GLU  86 -10.712   7.574   7.574
 1381   2HB   GLU  86          1HB       GLU  86 -10.907   8.495   8.495
 1382   1HG   GLU  86          2HG       GLU  86 -13.494   7.624   7.624
 1383   2HG   GLU  86          1HG       GLU  86 -12.459   6.238   6.238
 1384    H    PHE  87           H        PHE  87  -9.751  10.190  10.190
 1385    HA   PHE  87           HA       PHE  87  -8.773  12.061  12.061
 1386   1HB   PHE  87          2HB       PHE  87  -6.576  10.993  10.993
 1387   2HB   PHE  87          1HB       PHE  87  -7.536  10.664  10.664
 1388    HD1  PHE  87           HD1      PHE  87  -8.877   8.554   8.554
 1389    HD2  PHE  87           HD2      PHE  87  -5.865   9.198   9.198
 1390    HE1  PHE  87           HE1      PHE  87  -8.944   6.151   6.151
 1391    HE2  PHE  87           HE2      PHE  87  -5.947   6.783   6.783
 1392    HZ   PHE  87           HZ       PHE  87  -7.486   5.267   5.267
 1393    H    PHE  88           H        PHE  88  -9.115   8.618   8.618
 1394    HA   PHE  88           HA       PHE  88  -7.826   9.028   9.028
 1395   1HB   PHE  88          2HB       PHE  88  -9.463   6.940   6.940
 1396   2HB   PHE  88          1HB       PHE  88  -9.589   6.995   6.995
 1397    HD1  PHE  88           HD2      PHE  88  -6.666   8.157   8.157
 1398    HD2  PHE  88           HD1      PHE  88  -8.276   4.747   4.747
 1399    HE1  PHE  88           HE2      PHE  88  -4.466   7.052   7.052
 1400    HE2  PHE  88           HE1      PHE  88  -6.062   3.627   3.627
 1401    HZ   PHE  88           HZ       PHE  88  -4.167   4.790   4.790
 1402    H    GLU  89           H        GLU  89  -9.096  11.192  11.192
 1403    HA   GLU  89           HA       GLU  89 -11.757  11.577  11.577
 1404   1HB   GLU  89          2HB       GLU  89 -10.204  13.371  13.371
 1405   2HB   GLU  89          1HB       GLU  89  -9.255  12.486  12.486
 1406   1HG   GLU  89          2HG       GLU  89 -10.848  12.809  12.809
 1407   2HG   GLU  89          1HG       GLU  89 -12.141  13.147  13.147
 1408    H    HIS  90           H        HIS  90  -9.777  11.217  11.217
 1409    HA   HIS  90           HA       HIS  90 -11.929   9.747   9.747
 1410   1HB   HIS  90          2HB       HIS  90  -9.154  10.732  10.732
 1411   2HB   HIS  90          1HB       HIS  90 -10.168   9.853   9.853
 1412    HD1  HIS  90           HD1      HIS  90 -12.550  11.580  11.580
 1413    HD2  HIS  90           HD2      HIS  90  -9.818  12.825  12.825
 1414    HE1  HIS  90           HE1      HIS  90 -13.411  13.786  13.786
 1415    H    GLU  91           H        GLU  91 -10.080   8.061   8.061
 1416    HA   GLU  91           HA       GLU  91  -9.269   6.074   6.074
 1417   1HB   GLU  91          2HB       GLU  91 -10.444   5.394   5.394
 1418   2HB   GLU  91          1HB       GLU  91 -10.315   4.360   4.360
 1419   1HG   GLU  91          2HG       GLU  91 -11.828   6.171   6.171
 1420   2HG   GLU  91          1HG       GLU  91 -12.228   6.619   6.619

  Start of MODEL   22
    1   1H    MET   0          2H        MET   0  -0.304  -9.647  -9.647
    2   2H    MET   0          1H        MET   0  -0.221  -9.775  -9.775
    3   3H    MET   0          3H        MET   0  -0.211 -11.176 -11.176
    4    HA   MET   0           HA       MET   0  -2.468 -10.937 -10.937
    5   1HB   MET   0          2HB       MET   0  -2.092 -11.855 -11.855
    6   2HB   MET   0          1HB       MET   0  -1.857 -10.248 -10.248
    7   1HG   MET   0          2HG       MET   0  -4.362 -10.144 -10.144
    8   2HG   MET   0          1HG       MET   0  -4.329 -11.698 -11.698
    9   1HE   MET   0          2HE       MET   0  -6.192  -9.672  -9.672
   10   2HE   MET   0          1HE       MET   0  -6.522 -10.108 -10.108
   11   3HE   MET   0          3HE       MET   0  -6.096  -8.443  -8.443
   12    H    SER   1           H        SER   1  -2.185  -8.361  -8.361
   13    HA   SER   1           HA       SER   1  -4.056  -6.684  -6.684
   14   1HB   SER   1          2HB       SER   1  -4.143  -5.422  -5.422
   15   2HB   SER   1          1HB       SER   1  -4.005  -7.107  -7.107
   16    HG   SER   1           HG       SER   1  -1.585  -6.473  -6.473
   17    H    GLU   2           H        GLU   2  -0.703  -7.117  -7.117
   18    HA   GLU   2           HA       GLU   2   0.496  -4.615  -4.615
   19   1HB   GLU   2          2HB       GLU   2   0.873  -7.058  -7.058
   20   2HB   GLU   2          1HB       GLU   2   2.014  -5.714  -5.714
   21   1HG   GLU   2          2HG       GLU   2   1.218  -6.811  -6.811
   22   2HG   GLU   2          1HG       GLU   2   2.217  -7.860  -7.860
   23    H    LEU   3           H        LEU   3  -1.805  -5.903  -5.903
   24    HA   LEU   3           HA       LEU   3  -1.148  -3.972  -3.972
   25   1HB   LEU   3          2HB       LEU   3  -3.601  -5.713  -5.713
   26   2HB   LEU   3          1HB       LEU   3  -2.971  -5.061  -5.061
   27    HG   LEU   3           HG       LEU   3  -1.040  -6.676  -6.676
   28   1HD1  LEU   3          1HD1      LEU   3  -3.295  -7.840  -7.840
   29   2HD1  LEU   3          3HD1      LEU   3  -3.301  -8.062  -8.062
   30   3HD1  LEU   3          2HD1      LEU   3  -2.031  -8.798  -8.798
   31   1HD2  LEU   3          3HD2      LEU   3  -1.680  -5.906  -5.906
   32   2HD2  LEU   3          2HD2      LEU   3  -0.146  -6.449  -6.449
   33   3HD2  LEU   3          1HD2      LEU   3  -1.338  -7.630  -7.630
   34    H    GLU   4           H        GLU   4  -3.591  -4.317  -4.317
   35    HA   GLU   4           HA       GLU   4  -5.081  -1.930  -1.930
   36   1HB   GLU   4          2HB       GLU   4  -6.299  -3.721  -3.721
   37   2HB   GLU   4          1HB       GLU   4  -5.145  -3.821  -3.821
   38   1HG   GLU   4          2HG       GLU   4  -6.472  -1.191  -1.191
   39   2HG   GLU   4          1HG       GLU   4  -7.482  -2.495  -2.495
   40    H    LYS   5           H        LYS   5  -2.821  -2.879  -2.879
   41    HA   LYS   5           HA       LYS   5  -2.766  -0.341  -0.341
   42   1HB   LYS   5          2HB       LYS   5  -0.510  -2.358  -2.358
   43   2HB   LYS   5          1HB       LYS   5  -0.981  -1.372  -1.372
   44   1HG   LYS   5          2HG       LYS   5  -3.266  -2.906  -2.906
   45   2HG   LYS   5          1HG       LYS   5  -1.898  -4.016  -4.016
   46   1HD   LYS   5          2HD       LYS   5  -2.697  -2.197  -2.197
   47   2HD   LYS   5          1HD       LYS   5  -2.799  -3.957  -3.957
   48   1HE   LYS   5          2HE       LYS   5  -0.582  -4.204  -4.204
   49   2HE   LYS   5          1HE       LYS   5  -0.113  -2.896  -2.896
   50   1HZ   LYS   5          2HZ       LYS   5  -1.559  -2.364  -2.364
   51   2HZ   LYS   5          1HZ       LYS   5   0.137  -2.439  -2.439
   52   3HZ   LYS   5          3HZ       LYS   5  -0.687  -1.271  -1.271
   53    H    ALA   6           H        ALA   6  -0.972  -1.768  -1.768
   54    HA   ALA   6           HA       ALA   6   0.861   0.493   0.493
   55   1HB   ALA   6          1HB       ALA   6   1.375  -1.826  -1.826
   56   2HB   ALA   6          3HB       ALA   6   0.034  -1.751  -1.751
   57   3HB   ALA   6          2HB       ALA   6   1.436  -0.706  -0.706
   58    H    VAL   7           H        VAL   7  -2.243  -0.579  -0.579
   59    HA   VAL   7           HA       VAL   7  -2.590   1.280   1.280
   60    HB   VAL   7           HB       VAL   7  -4.110  -0.545  -0.545
   61   1HG1  VAL   7          2HG1      VAL   7  -5.421   1.896   1.896
   62   2HG1  VAL   7          1HG1      VAL   7  -6.321   0.405   0.405
   63   3HG1  VAL   7          3HG1      VAL   7  -5.556   1.252   1.252
   64   1HG2  VAL   7          2HG2      VAL   7  -3.282  -0.579  -0.579
   65   2HG2  VAL   7          1HG2      VAL   7  -4.642  -1.536  -1.536
   66   3HG2  VAL   7          3HG2      VAL   7  -4.931   0.005   0.005
   67    H    VAL   8           H        VAL   8  -3.370   1.441   1.441
   68    HA   VAL   8           HA       VAL   8  -4.464   4.082   4.082
   69    HB   VAL   8           HB       VAL   8  -3.017   2.285   2.285
   70   1HG1  VAL   8          2HG1      VAL   8  -3.607   5.168   5.168
   71   2HG1  VAL   8          1HG1      VAL   8  -4.190   4.187   4.187
   72   3HG1  VAL   8          3HG1      VAL   8  -2.479   4.172   4.172
   73   1HG2  VAL   8          1HG2      VAL   8  -5.680   2.526   2.526
   74   2HG2  VAL   8          3HG2      VAL   8  -5.099   1.523   1.523
   75   3HG2  VAL   8          2HG2      VAL   8  -5.673   3.160   3.160
   76    H    ALA   9           H        ALA   9  -1.155   2.817   2.817
   77    HA   ALA   9           HA       ALA   9   0.223   5.244   5.244
   78   1HB   ALA   9          1HB       ALA   9   0.923   2.693   2.693
   79   2HB   ALA   9          3HB       ALA   9   1.306   3.165   3.165
   80   3HB   ALA   9          2HB       ALA   9   2.106   3.966   3.966
   81    H    LEU  10           H        LEU  10  -0.975   3.856   3.856
   82    HA   LEU  10           HA       LEU  10   0.274   5.761   5.761
   83   1HB   LEU  10          2HB       LEU  10  -2.389   4.370   4.370
   84   2HB   LEU  10          1HB       LEU  10  -1.239   4.872   4.872
   85    HG   LEU  10           HG       LEU  10  -0.886   2.648   2.648
   86   1HD1  LEU  10          1HD1      LEU  10  -2.132   2.415   2.415
   87   2HD1  LEU  10          3HD1      LEU  10  -0.500   2.453   2.453
   88   3HD1  LEU  10          2HD1      LEU  10  -0.953   1.194   1.194
   89   1HD2  LEU  10          3HD2      LEU  10   1.181   4.132   4.132
   90   2HD2  LEU  10          2HD2      LEU  10   1.383   2.415   2.415
   91   3HD2  LEU  10          1HD2      LEU  10   1.160   3.554   3.554
   92    H    ILE  11           H        ILE  11  -2.816   5.764   5.764
   93    HA   ILE  11           HA       ILE  11  -3.831   8.104   8.104
   94    HB   ILE  11           HB       ILE  11  -5.473   8.070   8.070
   95   1HG1  ILE  11          2HG1      ILE  11  -4.486   6.252   6.252
   96   2HG1  ILE  11          1HG1      ILE  11  -3.260   7.496   7.496
   97   1HG2  ILE  11          1HG2      ILE  11  -5.163   6.010   6.010
   98   2HG2  ILE  11          3HG2      ILE  11  -4.541   5.219   5.219
   99   3HG2  ILE  11          2HG2      ILE  11  -6.193   5.843   5.843
  100   1HD1  ILE  11          3HD1      ILE  11  -5.387   9.099   9.099
  101   2HD1  ILE  11          2HD1      ILE  11  -6.058   7.764   7.764
  102   3HD1  ILE  11          1HD1      ILE  11  -4.588   8.573   8.573
  103    H    ASP  12           H        ASP  12  -1.473   7.583   7.583
  104    HA   ASP  12           HA       ASP  12  -1.410  10.315  10.315
  105   1HB   ASP  12          2HB       ASP  12  -0.368   7.814   7.814
  106   2HB   ASP  12          1HB       ASP  12   1.053   8.698   8.698
  107    H    VAL  13           H        VAL  13   0.049   8.433   8.433
  108    HA   VAL  13           HA       VAL  13   2.074  10.281  10.281
  109    HB   VAL  13           HB       VAL  13   0.450   8.188   8.188
  110   1HG1  VAL  13          3HG1      VAL  13   1.711   9.955   9.955
  111   2HG1  VAL  13          2HG1      VAL  13   3.182   9.210   9.210
  112   3HG1  VAL  13          1HG1      VAL  13   2.057   8.262   8.262
  113   1HG2  VAL  13          3HG2      VAL  13   2.006   7.710   7.710
  114   2HG2  VAL  13          2HG2      VAL  13   1.991   6.622   6.622
  115   3HG2  VAL  13          1HG2      VAL  13   3.277   7.817   7.817
  116    H    PHE  14           H        PHE  14  -1.044   9.594   9.594
  117    HA   PHE  14           HA       PHE  14  -0.955  11.860  11.860
  118   1HB   PHE  14          2HB       PHE  14  -3.057   9.957   9.957
  119   2HB   PHE  14          1HB       PHE  14  -3.668  11.605  11.605
  120    HD1  PHE  14           HD1      PHE  14  -0.959   9.374   9.374
  121    HD2  PHE  14           HD2      PHE  14  -4.287  11.948  11.948
  122    HE1  PHE  14           HE1      PHE  14  -0.585   9.098   9.098
  123    HE2  PHE  14           HE2      PHE  14  -3.919  11.632  11.632
  124    HZ   PHE  14           HZ       PHE  14  -2.070  10.201  10.201
  125    H    HIS  15           H        HIS  15  -2.153  11.578  11.578
  126    HA   HIS  15           HA       HIS  15  -3.357  14.052  14.052
  127   1HB   HIS  15          2HB       HIS  15  -3.086  12.379  12.379
  128   2HB   HIS  15          1HB       HIS  15  -1.332  12.525  12.525
  129    HD1  HIS  15           HD1      HIS  15  -3.963  13.553  13.553
  130    HD2  HIS  15           HD2      HIS  15  -0.703  15.569  15.569
  131    HE1  HIS  15           HE1      HIS  15  -3.621  15.624  15.624
  132    H    GLN  16           H        GLN  16   0.120  13.293  13.293
  133    HA   GLN  16           HA       GLN  16   0.868  16.154  16.154
  134   1HB   GLN  16          2HB       GLN  16   2.355  13.526  13.526
  135   2HB   GLN  16          1HB       GLN  16   3.159  15.097  15.097
  136   1HG   GLN  16          2HG       GLN  16   2.399  15.459  15.459
  137   2HG   GLN  16          1HG       GLN  16   1.273  14.102  14.102
  138   1HE2  GLN  16          2HE2      GLN  16   3.831  11.626  11.626
  139   2HE2  GLN  16          1HE2      GLN  16   2.300  11.882  11.882
  140    H    TYR  17           H        TYR  17   1.705  13.511  13.511
  141    HA   TYR  17           HA       TYR  17   2.582  14.849  14.849
  142   1HB   TYR  17          2HB       TYR  17   0.886  12.403  12.403
  143   2HB   TYR  17          1HB       TYR  17   1.346  12.886  12.886
  144    HD1  TYR  17           HD2      TYR  17   3.695  12.873  12.873
  145    HD2  TYR  17           HD1      TYR  17   2.542  11.650  11.650
  146    HE1  TYR  17           HE2      TYR  17   5.926  11.833  11.833
  147    HE2  TYR  17           HE1      TYR  17   4.749  10.590  10.590
  148    HH   TYR  17           HH       TYR  17   7.054  10.860  10.860
  149    H    SER  18           H        SER  18  -0.570  13.487  13.487
  150    HA   SER  18           HA       SER  18  -1.517  15.278  15.278
  151   1HB   SER  18          2HB       SER  18  -3.816  14.669  14.669
  152   2HB   SER  18          1HB       SER  18  -2.899  13.449  13.449
  153    HG   SER  18           HG       SER  18  -2.659  14.029  14.029
  154    H    GLY  19           H        GLY  19  -1.233  15.920  15.920
  155   1HA   GLY  19          2HA       GLY  19  -2.047  18.713  18.713
  156   2HA   GLY  19          1HA       GLY  19  -2.983  17.843  17.843
  157    H    ARG  20           H        ARG  20   0.286  19.003  19.003
  158    HA   ARG  20           HA       ARG  20   0.931  18.831  18.831
  159   1HB   ARG  20          2HB       ARG  20   3.345  18.942  18.942
  160   2HB   ARG  20          1HB       ARG  20   2.472  17.417  17.417
  161   1HG   ARG  20          2HG       ARG  20   1.624  17.808  17.808
  162   2HG   ARG  20          1HG       ARG  20   2.583  19.286  19.286
  163   1HD   ARG  20          2HD       ARG  20   3.824  16.593  16.593
  164   2HD   ARG  20          1HD       ARG  20   3.679  17.216  17.216
  165    HE   ARG  20           HE       ARG  20   4.795  19.186  19.186
  166   1HH1  ARG  20          1HH2      ARG  20   6.228  16.331  16.331
  167   2HH1  ARG  20          2HH2      ARG  20   7.540  16.779  16.779
  168   1HH2  ARG  20          2HH1      ARG  20   6.155  19.833  19.833
  169   2HH2  ARG  20          1HH1      ARG  20   7.499  18.761  18.761
  170    H    GLU  21           H        GLU  21   0.495  20.898  20.898
  171    HA   GLU  21           HA       GLU  21   1.122  23.264  23.264
  172   1HB   GLU  21          2HB       GLU  21   3.308  22.452  22.452
  173   2HB   GLU  21          1HB       GLU  21   2.654  22.652  22.652
  174   1HG   GLU  21          2HG       GLU  21   2.200  25.054  25.054
  175   2HG   GLU  21          1HG       GLU  21   3.909  24.623  24.623
  176    H    GLY  22           H        GLY  22   0.343  21.963  21.963
  177   1HA   GLY  22          2HA       GLY  22  -1.678  24.133  24.133
  178   2HA   GLY  22          1HA       GLY  22  -0.581  23.770  23.770
  179    H    ASP  23           H        ASP  23  -2.203  23.006  23.006
  180    HA   ASP  23           HA       ASP  23  -3.855  21.496  21.496
  181   1HB   ASP  23          2HB       ASP  23  -1.436  20.252  20.252
  182   2HB   ASP  23          1HB       ASP  23  -2.786  19.144  19.144
  183    H    LYS  24           H        LYS  24  -4.771  19.076  19.076
  184    HA   LYS  24           HA       LYS  24  -5.821  19.767  19.767
  185   1HB   LYS  24          2HB       LYS  24  -7.349  19.521  19.521
  186   2HB   LYS  24          1HB       LYS  24  -8.134  19.113  19.113
  187   1HG   LYS  24          2HG       LYS  24  -7.801  21.316  21.316
  188   2HG   LYS  24          1HG       LYS  24  -6.696  21.737  21.737
  189   1HD   LYS  24          2HD       LYS  24  -8.626  21.355  21.355
  190   2HD   LYS  24          1HD       LYS  24  -9.677  21.252  21.252
  191   1HE   LYS  24          2HE       LYS  24  -9.047  23.522  23.522
  192   2HE   LYS  24          1HE       LYS  24  -7.908  23.632  23.632
  193   1HZ   LYS  24          1HZ       LYS  24 -10.161  22.774  22.774
  194   2HZ   LYS  24          3HZ       LYS  24 -10.795  23.798  23.798
  195   3HZ   LYS  24          2HZ       LYS  24  -9.672  24.400  24.400
  196    H    HIS  25           H        HIS  25  -6.482  17.444  17.444
  197    HA   HIS  25           HA       HIS  25  -5.576  15.202  15.202
  198   1HB   HIS  25          2HB       HIS  25  -8.363  15.919  15.919
  199   2HB   HIS  25          1HB       HIS  25  -7.949  14.207  14.207
  200    HD1  HIS  25           HD1      HIS  25  -9.739  16.015  16.015
  201    HD2  HIS  25           HD2      HIS  25  -5.983  14.301  14.301
  202    HE1  HIS  25           HE1      HIS  25  -9.429  15.792  15.792
  203    H    LYS  26           H        LYS  26  -4.086  15.810  15.810
  204    HA   LYS  26           HA       LYS  26  -4.666  13.684  13.684
  205   1HB   LYS  26          2HB       LYS  26  -5.700  16.000  16.000
  206   2HB   LYS  26          1HB       LYS  26  -4.036  16.488  16.488
  207   1HG   LYS  26          2HG       LYS  26  -4.660  13.901  13.901
  208   2HG   LYS  26          1HG       LYS  26  -5.747  15.168  15.168
  209   1HD   LYS  26          2HD       LYS  26  -3.807  16.584  16.584
  210   2HD   LYS  26          1HD       LYS  26  -2.719  15.318  15.318
  211   1HE   LYS  26          2HE       LYS  26  -2.755  14.778  14.778
  212   2HE   LYS  26          1HE       LYS  26  -4.182  13.860  13.860
  213   1HZ   LYS  26          2HZ       LYS  26  -4.434  16.717  16.717
  214   2HZ   LYS  26          1HZ       LYS  26  -4.419  15.565  15.565
  215   3HZ   LYS  26          3HZ       LYS  26  -5.615  15.497  15.497
  216    H    LEU  27           H        LEU  27  -2.728  12.912  12.912
  217    HA   LEU  27           HA       LEU  27  -0.193  14.169  14.169
  218   1HB   LEU  27          2HB       LEU  27  -1.296  11.511  11.511
  219   2HB   LEU  27          1HB       LEU  27   0.203  11.471  11.471
  220    HG   LEU  27           HG       LEU  27   0.713  11.160  11.160
  221   1HD1  LEU  27          1HD1      LEU  27   2.189  12.602  12.602
  222   2HD1  LEU  27          3HD1      LEU  27   1.437  14.002  14.002
  223   3HD1  LEU  27          2HD1      LEU  27   2.361  12.857  12.857
  224   1HD2  LEU  27          1HD2      LEU  27  -1.426  12.947  12.947
  225   2HD2  LEU  27          3HD2      LEU  27  -0.428  12.209  12.209
  226   3HD2  LEU  27          2HD2      LEU  27   0.003  13.789  13.789
  227    H    LYS  28           H        LYS  28   1.527  14.320  14.320
  228    HA   LYS  28           HA       LYS  28   0.747  13.659  13.659
  229   1HB   LYS  28          2HB       LYS  28   1.317  16.205  16.205
  230   2HB   LYS  28          1HB       LYS  28   2.314  15.952  15.952
  231   1HG   LYS  28          2HG       LYS  28   0.174  15.310  15.310
  232   2HG   LYS  28          1HG       LYS  28  -0.706  15.920  15.920
  233   1HD   LYS  28          2HD       LYS  28   1.318  17.544  17.544
  234   2HD   LYS  28          1HD       LYS  28  -0.425  17.624  17.624
  235   1HE   LYS  28          2HE       LYS  28   0.466  17.937  17.937
  236   2HE   LYS  28          1HE       LYS  28   0.853  19.276  19.276
  237   1HZ   LYS  28          2HZ       LYS  28  -1.817  17.994  17.994
  238   2HZ   LYS  28          1HZ       LYS  28  -1.391  19.479  19.479
  239   3HZ   LYS  28          3HZ       LYS  28  -1.426  19.322  19.322
  240    H    LYS  29           H        LYS  29   2.607  13.417  13.417
  241    HA   LYS  29           HA       LYS  29   4.605  11.703  11.703
  242   1HB   LYS  29          2HB       LYS  29   5.977  13.353  13.353
  243   2HB   LYS  29          1HB       LYS  29   4.825  12.116  12.116
  244   1HG   LYS  29          2HG       LYS  29   3.097  13.651  13.651
  245   2HG   LYS  29          1HG       LYS  29   3.873  14.848  14.848
  246   1HD   LYS  29          2HD       LYS  29   4.051  15.555  15.555
  247   2HD   LYS  29          1HD       LYS  29   5.650  15.129  15.129
  248   1HE   LYS  29          2HE       LYS  29   4.277  12.808  12.808
  249   2HE   LYS  29          1HE       LYS  29   4.482  14.107  14.107
  250   1HZ   LYS  29          1HZ       LYS  29   6.817  14.300  14.300
  251   2HZ   LYS  29          3HZ       LYS  29   6.539  12.721  12.721
  252   3HZ   LYS  29          2HZ       LYS  29   6.522  13.048  13.048
  253    H    SER  30           H        SER  30   5.049  15.253  15.253
  254    HA   SER  30           HA       SER  30   7.626  15.356  15.356
  255   1HB   SER  30          2HB       SER  30   5.135  17.031  17.031
  256   2HB   SER  30          1HB       SER  30   6.597  17.492  17.492
  257    HG   SER  30           HG       SER  30   6.189  18.261  18.261
  258    H    GLU  31           H        GLU  31   4.524  15.280  15.280
  259    HA   GLU  31           HA       GLU  31   5.759  14.998  14.998
  260   1HB   GLU  31          2HB       GLU  31   2.994  14.161  14.161
  261   2HB   GLU  31          1HB       GLU  31   3.471  14.638  14.638
  262   1HG   GLU  31          2HG       GLU  31   4.274  16.819  16.819
  263   2HG   GLU  31          1HG       GLU  31   2.846  16.321  16.321
  264    H    LEU  32           H        LEU  32   4.391  12.707  12.707
  265    HA   LEU  32           HA       LEU  32   4.530  10.321  10.321
  266   1HB   LEU  32          2HB       LEU  32   3.627  10.815  10.815
  267   2HB   LEU  32          1HB       LEU  32   5.289  10.613  10.613
  268    HG   LEU  32           HG       LEU  32   5.269   8.365   8.365
  269   1HD1  LEU  32          3HD1      LEU  32   2.792   9.339   9.339
  270   2HD1  LEU  32          2HD1      LEU  32   2.394   8.076   8.076
  271   3HD1  LEU  32          1HD1      LEU  32   3.418   7.706   7.706
  272   1HD2  LEU  32          1HD2      LEU  32   4.374   9.136   9.136
  273   2HD2  LEU  32          3HD2      LEU  32   4.956   7.543   7.543
  274   3HD2  LEU  32          2HD2      LEU  32   3.233   7.917   7.917
  275    H    LYS  33           H        LYS  33   7.034  11.537  11.537
  276    HA   LYS  33           HA       LYS  33   9.094   9.742   9.742
  277   1HB   LYS  33          2HB       LYS  33   8.762  12.108  12.108
  278   2HB   LYS  33          1HB       LYS  33   9.890  12.589  12.589
  279   1HG   LYS  33          2HG       LYS  33  10.242  10.289  10.289
  280   2HG   LYS  33          1HG       LYS  33  11.150  11.801  11.801
  281   1HD   LYS  33          2HD       LYS  33  12.350  11.229  11.229
  282   2HD   LYS  33          1HD       LYS  33  11.103  10.121  10.121
  283   1HE   LYS  33          2HE       LYS  33  12.831   9.620   9.620
  284   2HE   LYS  33          1HE       LYS  33  13.108   8.897   8.897
  285   1HZ   LYS  33          3HZ       LYS  33  10.545   8.395   8.395
  286   2HZ   LYS  33          2HZ       LYS  33  10.932   8.428   8.428
  287   3HZ   LYS  33          1HZ       LYS  33  11.716   7.334   7.334
  288    H    GLU  34           H        GLU  34   8.457  12.826  12.826
  289    HA   GLU  34           HA       GLU  34  10.384  12.652  12.652
  290   1HB   GLU  34          2HB       GLU  34   8.092  14.152  14.152
  291   2HB   GLU  34          1HB       GLU  34   7.761  13.501  13.501
  292   1HG   GLU  34          2HG       GLU  34  10.049  14.328  14.328
  293   2HG   GLU  34          1HG       GLU  34  10.166  15.143  15.143
  294    H    LEU  35           H        LEU  35   7.076  11.359  11.359
  295    HA   LEU  35           HA       LEU  35   6.915  10.186  10.186
  296   1HB   LEU  35          2HB       LEU  35   5.387  10.321  10.321
  297   2HB   LEU  35          1HB       LEU  35   5.931   8.650   8.650
  298    HG   LEU  35           HG       LEU  35   5.178   9.305   9.305
  299   1HD1  LEU  35          3HD1      LEU  35   3.560  10.542  10.542
  300   2HD1  LEU  35          2HD1      LEU  35   2.719   9.029   9.029
  301   3HD1  LEU  35          1HD1      LEU  35   3.090  10.142  10.142
  302   1HD2  LEU  35          3HD2      LEU  35   5.565   7.041   7.041
  303   2HD2  LEU  35          2HD2      LEU  35   3.933   7.207   7.207
  304   3HD2  LEU  35          1HD2      LEU  35   4.194   7.262   7.262
  305    H    ILE  36           H        ILE  36   8.625   8.876   8.876
  306    HA   ILE  36           HA       ILE  36   9.256   6.390   6.390
  307    HB   ILE  36           HB       ILE  36  10.702   7.322   7.322
  308   1HG1  ILE  36          2HG1      ILE  36   8.474   8.045   8.045
  309   2HG1  ILE  36          1HG1      ILE  36   8.693   6.473   6.473
  310   1HG2  ILE  36          3HG2      ILE  36   9.473   4.734   4.734
  311   2HG2  ILE  36          2HG2      ILE  36  10.260   4.945   4.945
  312   3HG2  ILE  36          1HG2      ILE  36  11.191   5.129   5.129
  313   1HD1  ILE  36          2HD1      ILE  36   7.771   5.816   5.816
  314   2HD1  ILE  36          1HD1      ILE  36   6.840   7.255   7.255
  315   3HD1  ILE  36          3HD1      ILE  36   6.800   5.850   5.850
  316    H    ASN  37           H        ASN  37  11.020   9.343   9.343
  317    HA   ASN  37           HA       ASN  37  13.530   8.472   8.472
  318   1HB   ASN  37          2HB       ASN  37  14.328  10.458  10.458
  319   2HB   ASN  37          1HB       ASN  37  12.901  10.195  10.195
  320   1HD2  ASN  37          2HD2      ASN  37  12.921  13.721  13.721
  321   2HD2  ASN  37          1HD2      ASN  37  14.078  12.813  12.813
  322    H    ASN  38           H        ASN  38  10.651   9.887   9.887
  323    HA   ASN  38           HA       ASN  38  11.955  11.140  11.140
  324   1HB   ASN  38          2HB       ASN  38   9.202  10.788  10.788
  325   2HB   ASN  38          1HB       ASN  38   9.361  11.208  11.208
  326   1HD2  ASN  38          2HD2      ASN  38   9.275  14.484  14.484
  327   2HD2  ASN  38          1HD2      ASN  38   8.209  13.247  13.247
  328    H    GLU  39           H        GLU  39  11.094   8.018   8.018
  329    HA   GLU  39           HA       GLU  39  10.839   7.128   7.128
  330   1HB   GLU  39          2HB       GLU  39   9.462   5.300   5.300
  331   2HB   GLU  39          1HB       GLU  39   8.775   6.886   6.886
  332   1HG   GLU  39          2HG       GLU  39   9.799   6.853   6.853
  333   2HG   GLU  39          1HG       GLU  39  10.472   5.260   5.260
  334    H    LEU  40           H        LEU  40  11.998   6.306   6.306
  335    HA   LEU  40           HA       LEU  40  13.894   4.339   4.339
  336   1HB   LEU  40          2HB       LEU  40  12.947   4.736   4.736
  337   2HB   LEU  40          1HB       LEU  40  13.983   3.427   3.427
  338    HG   LEU  40           HG       LEU  40  11.471   3.743   3.743
  339   1HD1  LEU  40          2HD1      LEU  40  11.517   3.480   3.480
  340   2HD1  LEU  40          1HD1      LEU  40  10.544   2.268   2.268
  341   3HD1  LEU  40          3HD1      LEU  40  10.201   3.983   3.983
  342   1HD2  LEU  40          2HD2      LEU  40  13.453   1.780   1.780
  343   2HD2  LEU  40          1HD2      LEU  40  12.065   1.628   1.628
  344   3HD2  LEU  40          3HD2      LEU  40  11.920   1.168   1.168
  345    H    SER  41           H        SER  41  15.143   6.375   6.375
  346    HA   SER  41           HA       SER  41  16.281   8.372   8.372
  347   1HB   SER  41          2HB       SER  41  16.894   6.985   6.985
  348   2HB   SER  41          1HB       SER  41  18.293   6.604   6.604
  349    HG   SER  41           HG       SER  41  18.590   8.533   8.533
  350    H    HIS  42           H        HIS  42  17.051   4.945   4.945
  351    HA   HIS  42           HA       HIS  42  19.249   5.170   5.170
  352   1HB   HIS  42          2HB       HIS  42  16.884   3.273   3.273
  353   2HB   HIS  42          1HB       HIS  42  18.299   2.981   2.981
  354    HD1  HIS  42           HD1      HIS  42  20.545   2.441   2.441
  355    HD2  HIS  42           HD2      HIS  42  17.331   2.951   2.951
  356    HE1  HIS  42           HE1      HIS  42  21.317   1.603   1.603
  357    H    PHE  43           H        PHE  43  15.773   5.542   5.542
  358    HA   PHE  43           HA       PHE  43  15.964   5.758   5.758
  359   1HB   PHE  43          2HB       PHE  43  13.938   6.458   6.458
  360   2HB   PHE  43          1HB       PHE  43  13.643   6.843   6.843
  361    HD1  PHE  43           HD2      PHE  43  14.677   3.993   3.993
  362    HD2  PHE  43           HD1      PHE  43  12.726   5.248   5.248
  363    HE1  PHE  43           HE2      PHE  43  13.960   1.652   1.652
  364    HE2  PHE  43           HE1      PHE  43  12.032   2.902   2.902
  365    HZ   PHE  43           HZ       PHE  43  12.645   1.109   1.109
  366    H    LEU  44           H        LEU  44  16.604   7.958   7.958
  367    HA   LEU  44           HA       LEU  44  16.081  10.474  10.474
  368   1HB   LEU  44          2HB       LEU  44  17.110   9.614   9.614
  369   2HB   LEU  44          1HB       LEU  44  18.627   9.989   9.989
  370    HG   LEU  44           HG       LEU  44  17.498  12.251  12.251
  371   1HD1  LEU  44          2HD1      LEU  44  15.437  10.941  10.941
  372   2HD1  LEU  44          1HD1      LEU  44  15.966  12.377  12.377
  373   3HD1  LEU  44          3HD1      LEU  44  15.386  12.521  12.521
  374   1HD2  LEU  44          1HD2      LEU  44  19.172  11.442  11.442
  375   2HD2  LEU  44          3HD2      LEU  44  18.745  13.120  13.120
  376   3HD2  LEU  44          2HD2      LEU  44  17.865  12.215  12.215
  377    H    GLU  45           H        GLU  45  18.858   8.329   8.329
  378    HA   GLU  45           HA       GLU  45  20.117   9.878   9.878
  379   1HB   GLU  45          2HB       GLU  45  20.822   8.057   8.057
  380   2HB   GLU  45          1HB       GLU  45  21.420   7.422   7.422
  381   1HG   GLU  45          2HG       GLU  45  21.847  10.302  10.302
  382   2HG   GLU  45          1HG       GLU  45  22.988   9.027   9.027
  383    H    GLU  46           H        GLU  46  18.046   7.176   7.176
  384    HA   GLU  46           HA       GLU  46  16.951   5.698   5.698
  385   1HB   GLU  46          2HB       GLU  46  17.307   8.101   8.101
  386   2HB   GLU  46          1HB       GLU  46  18.113   7.018   7.018
  387   1HG   GLU  46          2HG       GLU  46  16.162   5.840   5.840
  388   2HG   GLU  46          1HG       GLU  46  15.434   6.231   6.231
  389    H    ILE  47           H        ILE  47  20.132   6.570   6.570
  390    HA   ILE  47           HA       ILE  47  20.859   4.337   4.337
  391    HB   ILE  47           HB       ILE  47  22.131   6.471   6.471
  392   1HG1  ILE  47          2HG1      ILE  47  24.293   5.429   5.429
  393   2HG1  ILE  47          1HG1      ILE  47  23.676   3.876   3.876
  394   1HG2  ILE  47          2HG2      ILE  47  21.918   6.132   6.132
  395   2HG2  ILE  47          1HG2      ILE  47  22.972   4.726   4.726
  396   3HG2  ILE  47          3HG2      ILE  47  23.599   6.332   6.332
  397   1HD1  ILE  47          2HD1      ILE  47  22.301   5.250   5.250
  398   2HD1  ILE  47          1HD1      ILE  47  23.804   4.380   4.380
  399   3HD1  ILE  47          3HD1      ILE  47  22.411   3.528   3.528
  400    H    LYS  48           H        LYS  48  20.905   4.641   4.641
  401    HA   LYS  48           HA       LYS  48  22.176   2.360   2.360
  402   1HB   LYS  48          2HB       LYS  48  19.742   3.888   3.888
  403   2HB   LYS  48          1HB       LYS  48  20.034   2.348   2.348
  404   1HG   LYS  48          2HG       LYS  48  21.145   4.042   4.042
  405   2HG   LYS  48          1HG       LYS  48  22.399   3.143   3.143
  406   1HD   LYS  48          2HD       LYS  48  22.777   4.874   4.874
  407   2HD   LYS  48          1HD       LYS  48  21.201   5.609   5.609
  408   1HE   LYS  48          2HE       LYS  48  23.076   6.911   6.911
  409   2HE   LYS  48          1HE       LYS  48  21.932   6.302   6.302
  410   1HZ   LYS  48          1HZ       LYS  48  24.354   4.818   4.818
  411   2HZ   LYS  48          3HZ       LYS  48  24.319   5.825   5.825
  412   3HZ   LYS  48          2HZ       LYS  48  23.326   4.448   4.448
  413    H    GLU  49           H        GLU  49  19.172   2.544   2.544
  414    HA   GLU  49           HA       GLU  49  19.126  -0.446  -0.446
  415   1HB   GLU  49          2HB       GLU  49  16.582  -0.172  -0.172
  416   2HB   GLU  49          1HB       GLU  49  17.481   0.125   0.125
  417   1HG   GLU  49          2HG       GLU  49  17.222   2.515   2.515
  418   2HG   GLU  49          1HG       GLU  49  15.667   1.874   1.874
  419    H    GLN  50           H        GLN  50  20.278   0.742   0.742
  420    HA   GLN  50           HA       GLN  50  19.101   2.122   2.122
  421   1HB   GLN  50          2HB       GLN  50  20.275   0.202   0.202
  422   2HB   GLN  50          1HB       GLN  50  21.205   1.385   1.385
  423   1HG   GLN  50          2HG       GLN  50  21.841  -0.148  -0.148
  424   2HG   GLN  50          1HG       GLN  50  20.374  -1.111  -1.111
  425   1HE2  GLN  50          2HE2      GLN  50  23.069  -1.629  -1.629
  426   2HE2  GLN  50          1HE2      GLN  50  22.644  -0.058  -0.058
  427    H    GLU  51           H        GLU  51  18.811  -1.469  -1.469
  428    HA   GLU  51           HA       GLU  51  16.912  -1.809  -1.809
  429   1HB   GLU  51          2HB       GLU  51  17.947  -3.598  -3.598
  430   2HB   GLU  51          1HB       GLU  51  16.953  -3.124  -3.124
  431   1HG   GLU  51          2HG       GLU  51  15.018  -3.399  -3.399
  432   2HG   GLU  51          1HG       GLU  51  16.182  -4.575  -4.575
  433    H    VAL  52           H        VAL  52  16.261  -0.740  -0.740
  434    HA   VAL  52           HA       VAL  52  13.379  -0.658  -0.658
  435    HB   VAL  52           HB       VAL  52  15.207   0.784   0.784
  436   1HG1  VAL  52          1HG1      VAL  52  12.336   0.671   0.671
  437   2HG1  VAL  52          3HG1      VAL  52  12.782  -0.023  -0.023
  438   3HG1  VAL  52          2HG1      VAL  52  13.268   1.624   1.624
  439   1HG2  VAL  52          3HG2      VAL  52  14.035  -2.008  -2.008
  440   2HG2  VAL  52          2HG2      VAL  52  15.731  -1.549  -1.549
  441   3HG2  VAL  52          1HG2      VAL  52  14.607  -1.233  -1.233
  442    H    VAL  53           H        VAL  53  15.984   1.775   1.775
  443    HA   VAL  53           HA       VAL  53  14.476   4.104   4.104
  444    HB   VAL  53           HB       VAL  53  17.058   3.294   3.294
  445   1HG1  VAL  53          3HG1      VAL  53  15.531   5.745   5.745
  446   2HG1  VAL  53          2HG1      VAL  53  17.137   5.946   5.946
  447   3HG1  VAL  53          1HG1      VAL  53  16.967   5.421   5.421
  448   1HG2  VAL  53          3HG2      VAL  53  16.426   3.707   3.707
  449   2HG2  VAL  53          2HG2      VAL  53  17.809   2.899   2.899
  450   3HG2  VAL  53          1HG2      VAL  53  17.795   4.656   4.656
  451    H    ASP  54           H        ASP  54  15.353   1.415   1.415
  452    HA   ASP  54           HA       ASP  54  14.409   2.566   2.566
  453   1HB   ASP  54          2HB       ASP  54  15.911   0.767   0.767
  454   2HB   ASP  54          1HB       ASP  54  15.101  -0.152  -0.152
  455    H    LYS  55           H        LYS  55  13.009   0.479   0.479
  456    HA   LYS  55           HA       LYS  55  10.417   0.227   0.227
  457   1HB   LYS  55          2HB       LYS  55  11.714  -0.441  -0.441
  458   2HB   LYS  55          1HB       LYS  55   9.955  -0.526  -0.526
  459   1HG   LYS  55          2HG       LYS  55  10.548  -2.676  -2.676
  460   2HG   LYS  55          1HG       LYS  55  10.473  -1.860  -1.860
  461   1HD   LYS  55          2HD       LYS  55  12.938  -1.406  -1.406
  462   2HD   LYS  55          1HD       LYS  55  12.949  -2.439  -2.439
  463   1HE   LYS  55          2HE       LYS  55  11.846  -3.416  -3.416
  464   2HE   LYS  55          1HE       LYS  55  13.561  -3.585  -3.585
  465   1HZ   LYS  55          2HZ       LYS  55  11.498  -4.340  -4.340
  466   2HZ   LYS  55          1HZ       LYS  55  11.893  -5.425  -5.425
  467   3HZ   LYS  55          3HZ       LYS  55  13.089  -4.916  -4.916
  468    H    VAL  56           H        VAL  56  11.320   1.752   1.752
  469    HA   VAL  56           HA       VAL  56   9.148   3.228   3.228
  470    HB   VAL  56           HB       VAL  56  12.072   4.027   4.027
  471   1HG1  VAL  56          1HG1      VAL  56   9.701   5.503   5.503
  472   2HG1  VAL  56          3HG1      VAL  56  11.165   5.520   5.520
  473   3HG1  VAL  56          2HG1      VAL  56  11.208   6.128   6.128
  474   1HG2  VAL  56          3HG2      VAL  56  10.568   2.222   2.222
  475   2HG2  VAL  56          2HG2      VAL  56  12.271   2.654   2.654
  476   3HG2  VAL  56          1HG2      VAL  56  11.047   3.579   3.579
  477    H    MET  57           H        MET  57  11.470   4.224   4.224
  478    HA   MET  57           HA       MET  57  10.041   6.646   6.646
  479   1HB   MET  57          2HB       MET  57  12.152   4.925   4.925
  480   2HB   MET  57          1HB       MET  57  11.588   6.443   6.443
  481   1HG   MET  57          2HG       MET  57  12.109   7.438   7.438
  482   2HG   MET  57          1HG       MET  57  13.104   5.996   5.996
  483   1HE   MET  57          1HE       MET  57  12.932   9.298   9.298
  484   2HE   MET  57          3HE       MET  57  14.575   9.028   9.028
  485   3HE   MET  57          2HE       MET  57  14.318   9.803   9.803
  486    H    GLU  58           H        GLU  58  10.112   3.335   3.335
  487    HA   GLU  58           HA       GLU  58   8.484   3.824   3.824
  488   1HB   GLU  58          2HB       GLU  58   8.574   1.510   1.510
  489   2HB   GLU  58          1HB       GLU  58   9.912   1.768   1.768
  490   1HG   GLU  58          2HG       GLU  58   8.816   0.176   0.176
  491   2HG   GLU  58          1HG       GLU  58   7.866   1.561   1.561
  492    H    THR  59           H        THR  59   7.680   3.539   3.539
  493    HA   THR  59           HA       THR  59   4.845   2.975   2.975
  494    HB   THR  59           HB       THR  59   5.964   4.109   4.109
  495    HG1  THR  59           HG1      THR  59   6.751   1.883   1.883
  496   1HG2  THR  59          1HG2      THR  59   3.610   3.273   3.273
  497   2HG2  THR  59          3HG2      THR  59   4.263   1.668   1.668
  498   3HG2  THR  59          2HG2      THR  59   4.529   2.426   2.426
  499    H    LEU  60           H        LEU  60   6.792   5.816   5.816
  500    HA   LEU  60           HA       LEU  60   4.676   7.670   7.670
  501   1HB   LEU  60          2HB       LEU  60   7.480   8.021   8.021
  502   2HB   LEU  60          1HB       LEU  60   6.471   9.337   9.337
  503    HG   LEU  60           HG       LEU  60   7.369   6.944   6.944
  504   1HD1  LEU  60          1HD1      LEU  60   8.850   9.169   9.169
  505   2HD1  LEU  60          3HD1      LEU  60   8.196   9.630   9.630
  506   3HD1  LEU  60          2HD1      LEU  60   9.156   8.159   8.159
  507   1HD2  LEU  60          2HD2      LEU  60   5.672   9.373   9.373
  508   2HD2  LEU  60          1HD2      LEU  60   5.276   7.676   7.676
  509   3HD2  LEU  60          3HD2      LEU  60   6.485   8.468   8.468
  510    H    ASP  61           H        ASP  61   6.409   6.743   6.743
  511    HA   ASP  61           HA       ASP  61   4.703   8.489   8.489
  512   1HB   ASP  61          2HB       ASP  61   7.325   7.383   7.383
  513   2HB   ASP  61          1HB       ASP  61   6.460   6.731   6.731
  514    H    SER  62           H        SER  62   4.271   5.553   5.553
  515    HA   SER  62           HA       SER  62   3.285   4.029   4.029
  516   1HB   SER  62          2HB       SER  62   4.022   2.577   2.577
  517   2HB   SER  62          1HB       SER  62   3.711   3.713   3.713
  518    HG   SER  62           HG       SER  62   1.800   2.159   2.159
  519    H    ASP  63           H        ASP  63   2.087   6.731   6.731
  520    HA   ASP  63           HA       ASP  63  -0.078   7.673   7.673
  521   1HB   ASP  63          2HB       ASP  63  -0.171   5.434   5.434
  522   2HB   ASP  63          1HB       ASP  63  -1.394   5.039   5.039
  523    H    GLY  64           H        GLY  64  -2.095   7.697   7.697
  524   1HA   GLY  64          2HA       GLY  64  -3.128   7.603   7.603
  525   2HA   GLY  64          1HA       GLY  64  -2.710   5.886   5.886
  526    H    ASP  65           H        ASP  65  -0.172   8.236   8.236
  527    HA   ASP  65           HA       ASP  65   0.590   7.720   7.720
  528   1HB   ASP  65          2HB       ASP  65   1.823   6.905   6.905
  529   2HB   ASP  65          1HB       ASP  65   2.876   8.108   8.108
  530    H    GLY  66           H        GLY  66   1.331   9.857   9.857
  531   1HA   GLY  66          2HA       GLY  66   2.603  11.952  11.952
  532   2HA   GLY  66          1HA       GLY  66   1.451  12.229  12.229
  533    H    GLU  67           H        GLU  67  -0.818  11.159  11.159
  534    HA   GLU  67           HA       GLU  67  -1.366  13.249  13.249
  535   1HB   GLU  67          2HB       GLU  67  -3.648  13.002  13.002
  536   2HB   GLU  67          1HB       GLU  67  -2.589  13.229  13.229
  537   1HG   GLU  67          2HG       GLU  67  -2.505  10.523  10.523
  538   2HG   GLU  67          1HG       GLU  67  -4.127  10.829  10.829
  539    H    CYS  68           H        CYS  68  -0.466  11.766  11.766
  540    HA   CYS  68           HA       CYS  68  -1.863   9.190   9.190
  541   1HB   CYS  68          2HB       CYS  68   0.448  10.580  10.580
  542   2HB   CYS  68          1HB       CYS  68  -0.244   9.107   9.107
  543    HG   CYS  68           HG       CYS  68   0.712   7.757   7.757
  544    H    ASP  69           H        ASP  69  -3.798   9.184   9.184
  545    HA   ASP  69           HA       ASP  69  -4.173  11.147  11.147
  546   1HB   ASP  69          2HB       ASP  69  -6.150   9.802   9.802
  547   2HB   ASP  69          1HB       ASP  69  -6.560  10.933  10.933
  548    H    PHE  70           H        PHE  70  -4.607  10.354  10.354
  549    HA   PHE  70           HA       PHE  70  -4.711   8.817   8.817
  550   1HB   PHE  70          2HB       PHE  70  -7.087   8.581   8.581
  551   2HB   PHE  70          1HB       PHE  70  -7.002   7.565   7.565
  552    HD1  PHE  70           HD2      PHE  70  -6.125  11.083  11.083
  553    HD2  PHE  70           HD1      PHE  70  -8.062   8.475   8.475
  554    HE1  PHE  70           HE2      PHE  70  -6.640  13.010  13.010
  555    HE2  PHE  70           HE1      PHE  70  -8.575  10.442  10.442
  556    HZ   PHE  70           HZ       PHE  70  -7.833  12.695  12.695
  557    H    GLN  71           H        GLN  71  -5.775   6.896   6.896
  558    HA   GLN  71           HA       GLN  71  -4.482   4.489   4.489
  559   1HB   GLN  71          2HB       GLN  71  -5.816   3.340   3.340
  560   2HB   GLN  71          1HB       GLN  71  -6.808   4.664   4.664
  561   1HG   GLN  71          2HG       GLN  71  -7.099   5.263   5.263
  562   2HG   GLN  71          1HG       GLN  71  -5.435   5.839   5.839
  563   1HE2  GLN  71          2HE2      GLN  71  -5.296   3.570   3.570
  564   2HE2  GLN  71          1HE2      GLN  71  -5.738   5.164   5.164
  565    H    GLU  72           H        GLU  72  -3.880   6.749   6.749
  566    HA   GLU  72           HA       GLU  72  -2.181   5.027   5.027
  567   1HB   GLU  72          2HB       GLU  72  -2.204   8.034   8.034
  568   2HB   GLU  72          1HB       GLU  72  -1.461   7.162   7.162
  569   1HG   GLU  72          2HG       GLU  72  -3.786   6.074   6.074
  570   2HG   GLU  72          1HG       GLU  72  -4.372   7.399   7.399
  571    H    PHE  73           H        PHE  73  -1.523   7.227   7.227
  572    HA   PHE  73           HA       PHE  73   1.311   7.014   7.014
  573   1HB   PHE  73          2HB       PHE  73   0.897   8.518   8.518
  574   2HB   PHE  73          1HB       PHE  73  -0.773   7.977   7.977
  575    HD1  PHE  73           HD2      PHE  73   2.564   6.469   6.469
  576    HD2  PHE  73           HD1      PHE  73  -1.389   7.452   7.452
  577    HE1  PHE  73           HE2      PHE  73   3.040   5.381   5.381
  578    HE2  PHE  73           HE1      PHE  73  -0.906   6.378   6.378
  579    HZ   PHE  73           HZ       PHE  73   1.308   5.344   5.344
  580    H    MET  74           H        MET  74  -1.057   5.135   5.135
  581    HA   MET  74           HA       MET  74   0.745   3.168   3.168
  582   1HB   MET  74          2HB       MET  74  -2.095   3.717   3.717
  583   2HB   MET  74          1HB       MET  74  -1.768   2.003   2.003
  584   1HG   MET  74          2HG       MET  74  -0.193   2.414   2.414
  585   2HG   MET  74          1HG       MET  74  -1.379   3.688   3.688
  586   1HE   MET  74          1HE       MET  74  -0.315   0.321   0.321
  587   2HE   MET  74          3HE       MET  74  -1.704  -0.754  -0.754
  588   3HE   MET  74          2HE       MET  74  -1.235  -0.187  -0.187
  589    H    ALA  75           H        ALA  75  -0.962   3.491   3.491
  590    HA   ALA  75           HA       ALA  75  -0.549   0.824   0.824
  591   1HB   ALA  75          3HB       ALA  75  -2.150   2.630   2.630
  592   2HB   ALA  75          2HB       ALA  75  -0.763   3.439   3.439
  593   3HB   ALA  75          1HB       ALA  75  -1.257   1.842   1.842
  594    H    PHE  76           H        PHE  76   1.114   3.866   3.866
  595    HA   PHE  76           HA       PHE  76   3.225   2.588   2.588
  596   1HB   PHE  76          2HB       PHE  76   2.694   4.799   4.799
  597   2HB   PHE  76          1HB       PHE  76   2.583   5.310   5.310
  598    HD1  PHE  76           HD1      PHE  76   4.987   4.167   4.167
  599    HD2  PHE  76           HD2      PHE  76   4.452   6.233   6.233
  600    HE1  PHE  76           HE1      PHE  76   7.345   4.931   4.931
  601    HE2  PHE  76           HE2      PHE  76   6.810   6.997   6.997
  602    HZ   PHE  76           HZ       PHE  76   8.257   6.347   6.347
  603    H    VAL  77           H        VAL  77   3.074   4.125   4.125
  604    HA   VAL  77           HA       VAL  77   5.719   3.745   3.745
  605    HB   VAL  77           HB       VAL  77   3.601   4.703   4.703
  606   1HG1  VAL  77          1HG1      VAL  77   2.337   2.579   2.579
  607   2HG1  VAL  77          3HG1      VAL  77   3.552   1.844   1.844
  608   3HG1  VAL  77          2HG1      VAL  77   2.554   3.164   3.164
  609   1HG2  VAL  77          2HG2      VAL  77   6.126   3.969   3.969
  610   2HG2  VAL  77          1HG2      VAL  77   4.980   4.966   4.966
  611   3HG2  VAL  77          3HG2      VAL  77   5.054   3.229   3.229
  612    H    ALA  78           H        ALA  78   3.065   1.429   1.429
  613    HA   ALA  78           HA       ALA  78   4.473  -0.839  -0.839
  614   1HB   ALA  78          1HB       ALA  78   1.972  -0.518  -0.518
  615   2HB   ALA  78          3HB       ALA  78   2.277  -0.756  -0.756
  616   3HB   ALA  78          2HB       ALA  78   2.605  -2.059  -2.059
  617    H    MET  79           H        MET  79   3.972   0.460   0.460
  618    HA   MET  79           HA       MET  79   5.354  -1.541  -1.541
  619   1HB   MET  79          2HB       MET  79   4.545   1.283   1.283
  620   2HB   MET  79          1HB       MET  79   5.942   0.842   0.842
  621   1HG   MET  79          2HG       MET  79   3.282  -0.614  -0.614
  622   2HG   MET  79          1HG       MET  79   3.855   0.452   0.452
  623   1HE   MET  79          2HE       MET  79   3.590  -2.517  -2.517
  624   2HE   MET  79          1HE       MET  79   3.713  -3.602  -3.602
  625   3HE   MET  79          3HE       MET  79   5.031  -3.515  -3.515
  626    H    ILE  80           H        ILE  80   6.471   1.217   1.217
  627    HA   ILE  80           HA       ILE  80   9.236   1.214   1.214
  628    HB   ILE  80           HB       ILE  80   8.033   1.669   1.669
  629   1HG1  ILE  80          2HG1      ILE  80   6.744   2.941   2.941
  630   2HG1  ILE  80          1HG1      ILE  80   7.787   4.030   4.030
  631   1HG2  ILE  80          3HG2      ILE  80  10.590   1.623   1.623
  632   2HG2  ILE  80          2HG2      ILE  80  10.299   3.175   3.175
  633   3HG2  ILE  80          1HG2      ILE  80   9.923   2.965   2.965
  634   1HD1  ILE  80          3HD1      ILE  80   9.281   3.069   3.069
  635   2HD1  ILE  80          2HD1      ILE  80   7.714   3.599   3.599
  636   3HD1  ILE  80          1HD1      ILE  80   8.735   4.715   4.715
  637    H    THR  81           H        THR  81   7.906  -0.101  -0.101
  638    HA   THR  81           HA       THR  81  10.074  -1.710  -1.710
  639    HB   THR  81           HB       THR  81   7.086  -2.112  -2.112
  640    HG1  THR  81           HG1      THR  81   8.487  -0.210  -0.210
  641   1HG2  THR  81          1HG2      THR  81   9.219  -3.877  -3.877
  642   2HG2  THR  81          3HG2      THR  81   8.686  -3.165  -3.165
  643   3HG2  THR  81          2HG2      THR  81   7.529  -4.011  -4.011
  644    H    THR  82           H        THR  82   7.295  -2.614  -2.614
  645    HA   THR  82           HA       THR  82   8.210  -5.330  -5.330
  646    HB   THR  82           HB       THR  82   6.556  -3.915  -3.915
  647    HG1  THR  82           HG1      THR  82   5.518  -4.569  -4.569
  648   1HG2  THR  82          2HG2      THR  82   6.963  -6.591  -6.591
  649   2HG2  THR  82          1HG2      THR  82   5.254  -6.154  -6.154
  650   3HG2  THR  82          3HG2      THR  82   6.121  -6.089  -6.089
  651    H    ALA  83           H        ALA  83   8.949  -2.243  -2.243
  652    HA   ALA  83           HA       ALA  83  10.080  -3.038  -3.038
  653   1HB   ALA  83          3HB       ALA  83   9.829  -0.720  -0.720
  654   2HB   ALA  83          2HB       ALA  83  11.463  -1.077  -1.077
  655   3HB   ALA  83          1HB       ALA  83  11.127  -0.939  -0.939
  656    H    CYS  84           H        CYS  84  11.080  -3.576  -3.576
  657    HA   CYS  84           HA       CYS  84  13.800  -4.489  -4.489
  658   1HB   CYS  84          2HB       CYS  84  12.470  -3.383  -3.383
  659   2HB   CYS  84          1HB       CYS  84  12.844  -5.042  -5.042
  660    HG   CYS  84           HG       CYS  84  15.376  -4.553  -4.553
  661    H    HIS  85           H        HIS  85  10.623  -5.785  -5.785
  662    HA   HIS  85           HA       HIS  85   9.876  -8.026  -8.026
  663   1HB   HIS  85          2HB       HIS  85  10.811  -7.423  -7.423
  664   2HB   HIS  85          1HB       HIS  85  11.782  -8.846  -8.846
  665    HD1  HIS  85           HD1      HIS  85   8.165  -8.140  -8.140
  666    HD2  HIS  85           HD2      HIS  85  10.377 -10.869 -10.869
  667    HE1  HIS  85           HE1      HIS  85   6.539  -9.927  -9.927
  668    H    GLU  86           H        GLU  86  12.166  -7.305  -7.305
  669    HA   GLU  86           HA       GLU  86  13.404 -10.023 -10.023
  670   1HB   GLU  86          2HB       GLU  86  14.848  -8.248  -8.248
  671   2HB   GLU  86          1HB       GLU  86  14.816  -7.379  -7.379
  672   1HG   GLU  86          2HG       GLU  86  16.566  -8.645  -8.645
  673   2HG   GLU  86          1HG       GLU  86  15.459 -10.018 -10.018
  674    H    PHE  87           H        PHE  87  11.139  -8.904  -8.904
  675    HA   PHE  87           HA       PHE  87  12.490  -8.686  -8.686
  676   1HB   PHE  87          2HB       PHE  87  10.116  -7.627  -7.627
  677   2HB   PHE  87          1HB       PHE  87  11.373  -6.664  -6.664
  678    HD1  PHE  87           HD1      PHE  87  11.414  -6.694  -6.694
  679    HD2  PHE  87           HD2      PHE  87   7.915  -7.636  -7.636
  680    HE1  PHE  87           HE1      PHE  87   9.942  -6.103  -6.103
  681    HE2  PHE  87           HE2      PHE  87   6.492  -7.004  -7.004
  682    HZ   PHE  87           HZ       PHE  87   7.484  -6.267  -6.267
  683    H    PHE  88           H        PHE  88   9.741  -9.107  -9.107
  684    HA   PHE  88           HA       PHE  88   8.428 -10.866 -10.866
  685   1HB   PHE  88          2HB       PHE  88   9.295 -11.920 -11.920
  686   2HB   PHE  88          1HB       PHE  88   8.045 -12.654 -12.654
  687    HD1  PHE  88           HD2      PHE  88   7.705  -9.345  -9.345
  688    HD2  PHE  88           HD1      PHE  88   7.207 -11.962 -11.962
  689    HE1  PHE  88           HE2      PHE  88   6.063  -7.754  -7.754
  690    HE2  PHE  88           HE1      PHE  88   5.609 -10.393 -10.393
  691    HZ   PHE  88           HZ       PHE  88   5.025  -8.283  -8.283
  692    H    GLU  89           H        GLU  89  11.052 -12.461 -12.461
  693    HA   GLU  89           HA       GLU  89  12.546 -13.286 -13.286
  694   1HB   GLU  89          2HB       GLU  89  10.117 -14.631 -14.631
  695   2HB   GLU  89          1HB       GLU  89  11.371 -15.736 -15.736
  696   1HG   GLU  89          2HG       GLU  89  12.109 -14.450 -14.450
  697   2HG   GLU  89          1HG       GLU  89  10.595 -15.346 -15.346
  698    H    HIS  90           H        HIS  90  13.230 -12.223 -12.223
  699    HA   HIS  90           HA       HIS  90  14.852 -12.576 -12.576
  700   1HB   HIS  90          2HB       HIS  90  15.779 -13.891 -13.891
  701   2HB   HIS  90          1HB       HIS  90  15.190 -15.328 -15.328
  702    HD1  HIS  90           HD1      HIS  90  15.860 -14.066 -14.066
  703    HD2  HIS  90           HD2      HIS  90  18.508 -14.541 -14.541
  704    HE1  HIS  90           HE1      HIS  90  18.186 -14.108 -14.108
  705    H    GLU  91           H        GLU  91  13.202 -12.636 -12.636
  706    HA   GLU  91           HA       GLU  91  11.569 -14.835 -14.835
  707   1HB   GLU  91          2HB       GLU  91  12.706 -12.406 -12.406
  708   2HB   GLU  91          1HB       GLU  91  12.075 -13.638 -13.638
  709   1HG   GLU  91          2HG       GLU  91  10.122 -13.521 -13.521
  710   2HG   GLU  91          1HG       GLU  91  10.630 -11.837 -11.837
  711   1H    MET   0          2H        MET   0   6.157  10.036  10.036
  712   2H    MET   0          1H        MET   0   7.041  10.225  10.225
  713   3H    MET   0          3H        MET   0   6.481  11.591  11.591
  714    HA   MET   0           HA       MET   0   8.008  11.294  11.294
  715   1HB   MET   0          2HB       MET   0   8.933  12.306  12.306
  716   2HB   MET   0          1HB       MET   0   9.140  10.730  10.730
  717   1HG   MET   0          2HG       MET   0  10.492  10.533  10.533
  718   2HG   MET   0          1HG       MET   0  10.919  12.122  12.122
  719   1HE   MET   0          2HE       MET   0  12.633  10.084  10.084
  720   2HE   MET   0          1HE       MET   0  13.844  10.577  10.577
  721   3HE   MET   0          3HE       MET   0  13.271   8.905   8.905
  722    H    SER   1           H        SER   1   9.172   8.820   8.820
  723    HA   SER   1           HA       SER   1   9.869   7.057   7.057
  724   1HB   SER   1          2HB       SER   1  11.101   5.876   5.876
  725   2HB   SER   1          1HB       SER   1  11.249   7.581   7.581
  726    HG   SER   1           HG       SER   1   9.152   6.980   6.980
  727    H    GLU   2           H        GLU   2   7.137   7.547   7.547
  728    HA   GLU   2           HA       GLU   2   6.133   5.061   5.061
  729   1HB   GLU   2          2HB       GLU   2   4.813   7.443   7.443
  730   2HB   GLU   2          1HB       GLU   2   3.902   6.118   6.118
  731   1HG   GLU   2          2HG       GLU   2   6.038   7.300   7.300
  732   2HG   GLU   2          1HG       GLU   2   4.636   8.326   8.326
  733    H    LEU   3           H        LEU   3   6.726   6.222   6.222
  734    HA   LEU   3           HA       LEU   3   5.013   4.219   4.219
  735   1HB   LEU   3          2HB       LEU   3   7.222   5.939   5.939
  736   2HB   LEU   3          1HB       LEU   3   5.855   5.237   5.237
  737    HG   LEU   3           HG       LEU   3   5.119   6.938   6.938
  738   1HD1  LEU   3          1HD1      LEU   3   7.135   8.088   8.088
  739   2HD1  LEU   3          3HD1      LEU   3   6.153   8.242   8.242
  740   3HD1  LEU   3          2HD1      LEU   3   5.645   9.030   9.030
  741   1HD2  LEU   3          3HD2      LEU   3   4.121   6.075   6.075
  742   2HD2  LEU   3          2HD2      LEU   3   3.223   6.622   6.622
  743   3HD2  LEU   3          1HD2      LEU   3   3.874   7.798   7.798
  744    H    GLU   4           H        GLU   4   8.465   4.641   4.641
  745    HA   GLU   4           HA       GLU   4   9.250   2.197   2.197
  746   1HB   GLU   4          2HB       GLU   4  10.818   4.015   4.015
  747   2HB   GLU   4          1HB       GLU   4  10.611   4.172   4.172
  748   1HG   GLU   4          2HG       GLU   4  11.495   1.512   1.512
  749   2HG   GLU   4          1HG       GLU   4  12.672   2.820   2.820
  750    H    LYS   5           H        LYS   5   8.818   3.274   3.274
  751    HA   LYS   5           HA       LYS   5   9.561   0.794   0.794
  752   1HB   LYS   5          2HB       LYS   5   7.577   2.842   2.842
  753   2HB   LYS   5          1HB       LYS   5   8.748   1.905   1.905
  754   1HG   LYS   5          2HG       LYS   5  10.242   3.367   3.367
  755   2HG   LYS   5          1HG       LYS   5   9.083   4.500   4.500
  756   1HD   LYS   5          2HD       LYS   5  11.047   2.761   2.761
  757   2HD   LYS   5          1HD       LYS   5  11.094   4.518   4.518
  758   1HE   LYS   5          2HE       LYS   5   9.525   4.810   4.810
  759   2HE   LYS   5          1HE       LYS   5   8.530   3.469   3.469
  760   1HZ   LYS   5          2HZ       LYS   5  11.150   3.010   3.010
  761   2HZ   LYS   5          1HZ       LYS   5   9.718   3.111   3.111
  762   3HZ   LYS   5          3HZ       LYS   5   9.893   1.898   1.898
  763    H    ALA   6           H        ALA   6   6.545   2.138   2.138
  764    HA   ALA   6           HA       ALA   6   4.899  -0.106  -0.106
  765   1HB   ALA   6          1HB       ALA   6   4.030   2.188   2.188
  766   2HB   ALA   6          3HB       ALA   6   4.494   2.044   2.044
  767   3HB   ALA   6          2HB       ALA   6   3.226   1.010   1.010
  768    H    VAL   7           H        VAL   7   6.709   0.873   0.873
  769    HA   VAL   7           HA       VAL   7   5.829  -1.073  -1.073
  770    HB   VAL   7           HB       VAL   7   8.048   0.803   0.803
  771   1HG1  VAL   7          2HG1      VAL   7   8.511  -1.703  -1.703
  772   2HG1  VAL   7          1HG1      VAL   7   9.402  -0.214  -0.214
  773   3HG1  VAL   7          3HG1      VAL   7   9.529  -0.993  -0.993
  774   1HG2  VAL   7          2HG2      VAL   7   5.914   0.744   0.744
  775   2HG2  VAL   7          1HG2      VAL   7   7.362   1.695   1.695
  776   3HG2  VAL   7          3HG2      VAL   7   7.148   0.114   0.114
  777    H    VAL   8           H        VAL   8   8.449  -1.107  -1.107
  778    HA   VAL   8           HA       VAL   8   9.399  -3.760  -3.760
  779    HB   VAL   8           HB       VAL   8   9.281  -1.875  -1.875
  780   1HG1  VAL   8          2HG1      VAL   8   9.934  -4.756  -4.756
  781   2HG1  VAL   8          1HG1      VAL   8  11.151  -3.730  -3.730
  782   3HG1  VAL   8          3HG1      VAL   8   9.489  -3.716  -3.716
  783   1HG2  VAL   8          1HG2      VAL   8  10.974  -2.193  -2.193
  784   2HG2  VAL   8          3HG2      VAL   8  11.227  -1.130  -1.130
  785   3HG2  VAL   8          2HG2      VAL   8  11.895  -2.761  -2.761
  786    H    ALA   9           H        ALA   9   6.770  -2.447  -2.447
  787    HA   ALA   9           HA       ALA   9   5.970  -4.835  -4.835
  788   1HB   ALA   9          1HB       ALA   9   5.242  -2.284  -2.284
  789   2HB   ALA   9          3HB       ALA   9   3.995  -2.817  -2.817
  790   3HB   ALA   9          2HB       ALA   9   4.109  -3.550  -3.550
  791    H    LEU  10           H        LEU  10   5.223  -3.580  -3.580
  792    HA   LEU  10           HA       LEU  10   3.210  -5.529  -5.529
  793   1HB   LEU  10          2HB       LEU  10   5.164  -4.186  -4.186
  794   2HB   LEU  10          1HB       LEU  10   3.522  -4.721  -4.721
  795    HG   LEU  10           HG       LEU  10   4.347  -2.422  -2.422
  796   1HD1  LEU  10          1HD1      LEU  10   4.086  -2.281  -2.281
  797   2HD1  LEU  10          3HD1      LEU  10   2.360  -2.334  -2.334
  798   3HD1  LEU  10          2HD1      LEU  10   3.359  -1.035  -1.035
  799   1HD2  LEU  10          3HD2      LEU  10   2.450  -3.891  -3.891
  800   2HD2  LEU  10          2HD2      LEU  10   2.069  -2.187  -2.187
  801   3HD2  LEU  10          1HD2      LEU  10   1.521  -3.382  -3.382
  802    H    ILE  11           H        ILE  11   6.767  -5.511  -5.511
  803    HA   ILE  11           HA       ILE  11   6.908  -7.912  -7.912
  804    HB   ILE  11           HB       ILE  11   9.219  -7.827  -7.827
  805   1HG1  ILE  11          2HG1      ILE  11   9.490  -5.933  -5.933
  806   2HG1  ILE  11          1HG1      ILE  11   8.349  -7.161  -7.161
  807   1HG2  ILE  11          1HG2      ILE  11   8.109  -5.810  -5.810
  808   2HG2  ILE  11          3HG2      ILE  11   8.409  -4.967  -4.967
  809   3HG2  ILE  11          2HG2      ILE  11   9.761  -5.606  -5.606
  810   1HD1  ILE  11          3HD1      ILE  11  10.152  -8.803  -8.803
  811   2HD1  ILE  11          2HD1      ILE  11  11.230  -7.449  -7.449
  812   3HD1  ILE  11          1HD1      ILE  11  10.324  -8.202  -8.202
  813    H    ASP  12           H        ASP  12   6.332  -7.263  -7.263
  814    HA   ASP  12           HA       ASP  12   6.895  -9.950  -9.950
  815   1HB   ASP  12          2HB       ASP  12   6.380  -7.411  -7.411
  816   2HB   ASP  12          1HB       ASP  12   4.899  -8.297  -8.297
  817    H    VAL  13           H        VAL  13   4.229  -8.155  -8.155
  818    HA   VAL  13           HA       VAL  13   2.107 -10.012 -10.012
  819    HB   VAL  13           HB       VAL  13   2.580  -7.980  -7.980
  820   1HG1  VAL  13          3HG1      VAL  13   0.784  -9.799  -9.799
  821   2HG1  VAL  13          2HG1      VAL  13  -0.091  -9.005  -9.005
  822   3HG1  VAL  13          1HG1      VAL  13   0.286  -8.115  -8.115
  823   1HG2  VAL  13          3HG2      VAL  13   2.488  -7.416  -7.416
  824   2HG2  VAL  13          2HG2      VAL  13   1.672  -6.389  -6.389
  825   3HG2  VAL  13          1HG2      VAL  13   0.752  -7.583  -7.583
  826    H    PHE  14           H        PHE  14   3.730  -9.416  -9.416
  827    HA   PHE  14           HA       PHE  14   2.754 -11.736 -11.736
  828   1HB   PHE  14          2HB       PHE  14   4.995  -9.826  -9.826
  829   2HB   PHE  14          1HB       PHE  14   5.297 -11.499 -11.499
  830    HD1  PHE  14           HD1      PHE  14   2.267  -9.288  -9.288
  831    HD2  PHE  14           HD2      PHE  14   4.553 -11.953 -11.953
  832    HE1  PHE  14           HE1      PHE  14   0.587  -9.112  -9.112
  833    HE2  PHE  14           HE2      PHE  14   2.875 -11.739 -11.739
  834    HZ   PHE  14           HZ       PHE  14   0.882 -10.314 -10.314
  835    H    HIS  15           H        HIS  15   5.624 -11.351 -11.351
  836    HA   HIS  15           HA       HIS  15   6.884 -13.826 -13.826
  837   1HB   HIS  15          2HB       HIS  15   7.615 -12.078 -12.078
  838   2HB   HIS  15          1HB       HIS  15   6.123 -12.215 -12.215
  839    HD1  HIS  15           HD1      HIS  15   9.487 -13.189 -13.189
  840    HD2  HIS  15           HD2      HIS  15   5.894 -15.229 -15.229
  841    HE1  HIS  15           HE1      HIS  15  10.025 -15.205 -15.205
  842    H    GLN  16           H        GLN  16   3.947 -13.024 -13.024
  843    HA   GLN  16           HA       GLN  16   3.416 -15.863 -15.863
  844   1HB   GLN  16          2HB       GLN  16   1.958 -13.226 -13.226
  845   2HB   GLN  16          1HB       GLN  16   1.357 -14.778 -14.778
  846   1HG   GLN  16          2HG       GLN  16   3.242 -15.070 -15.070
  847   2HG   GLN  16          1HG       GLN  16   4.115 -13.741 -13.741
  848   1HE2  GLN  16          2HE2      GLN  16   2.254 -11.197 -11.197
  849   2HE2  GLN  16          1HE2      GLN  16   3.135 -11.507 -11.507
  850    H    TYR  17           H        TYR  17   1.451 -13.300 -13.300
  851    HA   TYR  17           HA       TYR  17  -0.519 -14.711 -14.711
  852   1HB   TYR  17          2HB       TYR  17   1.107 -12.275 -12.275
  853   2HB   TYR  17          1HB       TYR  17  -0.188 -12.812 -12.812
  854    HD1  TYR  17           HD2      TYR  17  -2.531 -12.771 -12.771
  855    HD2  TYR  17           HD1      TYR  17   0.637 -11.457 -11.457
  856    HE1  TYR  17           HE2      TYR  17  -4.203 -11.684 -11.684
  857    HE2  TYR  17           HE1      TYR  17  -1.014 -10.351 -10.351
  858    HH   TYR  17           HH       TYR  17  -3.419 -10.592 -10.592
  859    H    SER  18           H        SER  18   1.722 -13.418 -13.418
  860    HA   SER  18           HA       SER  18   1.475 -15.289 -15.289
  861   1HB   SER  18          2HB       SER  18   4.060 -14.665 -14.665
  862   2HB   SER  18          1HB       SER  18   2.788 -13.465 -13.465
  863    HG   SER  18           HG       SER  18   4.173 -13.939 -13.939
  864    H    GLY  19           H        GLY  19   3.203 -15.794 -15.794
  865   1HA   GLY  19          2HA       GLY  19   3.601 -18.618 -18.618
  866   2HA   GLY  19          1HA       GLY  19   5.048 -17.714 -17.714
  867    H    ARG  20           H        ARG  20   1.921 -18.861 -18.861
  868    HA   ARG  20           HA       ARG  20   3.031 -18.568 -18.568
  869   1HB   ARG  20          2HB       ARG  20   0.417 -18.680 -18.680
  870   2HB   ARG  20          1HB       ARG  20   1.174 -17.167 -17.167
  871   1HG   ARG  20          2HG       ARG  20   0.576 -17.663 -17.663
  872   2HG   ARG  20          1HG       ARG  20  -0.243 -19.129 -19.129
  873   1HD   ARG  20          2HD       ARG  20  -0.949 -16.395 -16.395
  874   2HD   ARG  20          1HD       ARG  20  -1.757 -17.089 -17.089
  875    HE   ARG  20           HE       ARG  20  -1.620 -18.963 -18.963
  876   1HH1  ARG  20          1HH2      ARG  20  -2.949 -16.098 -16.098
  877   2HH1  ARG  20          2HH2      ARG  20  -4.613 -16.571 -16.571
  878   1HH2  ARG  20          2HH1      ARG  20  -3.929 -19.679 -19.679
  879   2HH2  ARG  20          1HH1      ARG  20  -5.167 -18.599 -18.599
  880    H    GLU  21           H        GLU  21   1.883 -20.743 -20.743
  881    HA   GLU  21           HA       GLU  21   2.301 -23.034 -23.034
  882   1HB   GLU  21          2HB       GLU  21  -0.032 -22.223 -22.223
  883   2HB   GLU  21          1HB       GLU  21  -0.406 -22.504 -22.504
  884   1HG   GLU  21          2HG       GLU  21   0.861 -24.843 -24.843
  885   2HG   GLU  21          1HG       GLU  21  -0.528 -24.384 -24.384
  886    H    GLY  22           H        GLY  22   1.132 -21.873 -21.873
  887   1HA   GLY  22          2HA       GLY  22   2.652 -24.088 -24.088
  888   2HA   GLY  22          1HA       GLY  22   0.992 -23.756 -23.756
  889    H    ASP  23           H        ASP  23   1.516 -23.065 -23.065
  890    HA   ASP  23           HA       ASP  23   2.411 -21.614 -21.614
  891   1HB   ASP  23          2HB       ASP  23   0.935 -20.297 -20.297
  892   2HB   ASP  23          1HB       ASP  23   2.181 -19.203 -19.203
  893    H    LYS  24           H        LYS  24   3.783 -19.168 -19.168
  894    HA   LYS  24           HA       LYS  24   6.182 -19.766 -19.766
  895   1HB   LYS  24          2HB       LYS  24   5.978 -19.651 -19.651
  896   2HB   LYS  24          1HB       LYS  24   7.484 -19.194 -19.194
  897   1HG   LYS  24          2HG       LYS  24   7.719 -21.355 -21.355
  898   2HG   LYS  24          1HG       LYS  24   6.074 -21.812 -21.812
  899   1HD   LYS  24          2HD       LYS  24   6.765 -21.520 -21.520
  900   2HD   LYS  24          1HD       LYS  24   8.427 -21.372 -21.372
  901   1HE   LYS  24          2HE       LYS  24   8.318 -23.605 -23.605
  902   2HE   LYS  24          1HE       LYS  24   6.616 -23.756 -23.756
  903   1HZ   LYS  24          1HZ       LYS  24   7.792 -22.972 -22.972
  904   2HZ   LYS  24          3HZ       LYS  24   9.000 -23.957 -23.957
  905   3HZ   LYS  24          2HZ       LYS  24   7.445 -24.587 -24.587
  906    H    HIS  25           H        HIS  25   5.225 -17.560 -17.560
  907    HA   HIS  25           HA       HIS  25   5.418 -15.239 -15.239
  908   1HB   HIS  25          2HB       HIS  25   7.283 -16.019 -16.019
  909   2HB   HIS  25          1HB       HIS  25   6.926 -14.303 -14.303
  910    HD1  HIS  25           HD1      HIS  25   9.623 -16.055 -16.055
  911    HD2  HIS  25           HD2      HIS  25   6.833 -14.268 -14.268
  912    HE1  HIS  25           HE1      HIS  25  10.784 -15.723 -15.723
  913    H    LYS  26           H        LYS  26   3.026 -15.906 -15.906
  914    HA   LYS  26           HA       LYS  26   2.364 -13.868 -13.868
  915   1HB   LYS  26          2HB       LYS  26   2.909 -16.209 -16.209
  916   2HB   LYS  26          1HB       LYS  26   1.359 -16.699 -16.699
  917   1HG   LYS  26          2HG       LYS  26   1.156 -14.163 -14.163
  918   2HG   LYS  26          1HG       LYS  26   1.748 -15.452 -15.452
  919   1HD   LYS  26          2HD       LYS  26  -0.150 -16.879 -16.879
  920   2HD   LYS  26          1HD       LYS  26  -0.748 -15.575 -15.575
  921   1HE   LYS  26          2HE       LYS  26  -1.986 -15.121 -15.121
  922   2HE   LYS  26          1HE       LYS  26  -0.519 -14.212 -14.212
  923   1HZ   LYS  26          2HZ       LYS  26  -0.665 -17.098 -17.098
  924   2HZ   LYS  26          1HZ       LYS  26  -1.392 -16.001 -16.001
  925   3HZ   LYS  26          3HZ       LYS  26   0.272 -15.903 -15.903
  926    H    LEU  27           H        LEU  27   0.193 -13.119 -13.119
  927    HA   LEU  27           HA       LEU  27  -1.320 -14.289 -14.289
  928   1HB   LEU  27          2HB       LEU  27  -0.346 -11.650 -11.650
  929   2HB   LEU  27          1HB       LEU  27  -2.106 -11.616 -11.616
  930    HG   LEU  27           HG       LEU  27  -1.211 -11.206 -11.206
  931   1HD1  LEU  27          1HD1      LEU  27  -3.238 -12.681 -12.681
  932   2HD1  LEU  27          3HD1      LEU  27  -2.171 -14.063 -14.063
  933   3HD1  LEU  27          2HD1      LEU  27  -2.392 -12.872 -12.872
  934   1HD2  LEU  27          1HD2      LEU  27   0.794 -13.005 -13.005
  935   2HD2  LEU  27          3HD2      LEU  27   0.666 -12.207 -12.207
  936   3HD2  LEU  27          2HD2      LEU  27  -0.042 -13.805 -13.805
  937    H    LYS  28           H        LYS  28  -3.617 -14.487 -14.487
  938    HA   LYS  28           HA       LYS  28  -4.573 -13.932 -13.932
  939   1HB   LYS  28          2HB       LYS  28  -4.278 -16.417 -16.417
  940   2HB   LYS  28          1HB       LYS  28  -5.910 -16.203 -16.203
  941   1HG   LYS  28          2HG       LYS  28  -4.841 -15.649 -15.649
  942   2HG   LYS  28          1HG       LYS  28  -3.316 -16.213 -16.213
  943   1HD   LYS  28          2HD       LYS  28  -5.851 -17.873 -17.873
  944   2HD   LYS  28          1HD       LYS  28  -4.563 -17.987 -17.987
  945   1HE   LYS  28          2HE       LYS  28  -3.697 -18.165 -18.165
  946   2HE   LYS  28          1HE       LYS  28  -4.613 -19.548 -19.548
  947   1HZ   LYS  28          2HZ       LYS  28  -2.290 -18.279 -18.279
  948   2HZ   LYS  28          1HZ       LYS  28  -2.223 -19.735 -19.735
  949   3HZ   LYS  28          3HZ       LYS  28  -3.148 -19.640 -19.640
  950    H    LYS  29           H        LYS  29  -6.922 -13.725 -13.725
  951    HA   LYS  29           HA       LYS  29  -8.205 -11.952 -11.952
  952   1HB   LYS  29          2HB       LYS  29 -10.294 -13.641 -13.641
  953   2HB   LYS  29          1HB       LYS  29  -9.626 -12.445 -12.445
  954   1HG   LYS  29          2HG       LYS  29  -8.335 -14.018 -14.018
  955   2HG   LYS  29          1HG       LYS  29  -8.384 -15.160 -15.160
  956   1HD   LYS  29          2HD       LYS  29  -9.828 -15.959 -15.959
  957   2HD   LYS  29          1HD       LYS  29 -10.814 -15.486 -15.486
  958   1HE   LYS  29          2HE       LYS  29 -10.340 -13.232 -13.232
  959   2HE   LYS  29          1HE       LYS  29 -11.164 -14.575 -14.575
  960   1HZ   LYS  29          1HZ       LYS  29 -12.503 -14.696 -14.696
  961   2HZ   LYS  29          3HZ       LYS  29 -11.984 -13.098 -13.098
  962   3HZ   LYS  29          2HZ       LYS  29 -12.905 -13.501 -13.501
  963    H    SER  30           H        SER  30  -8.453 -15.487 -15.487
  964    HA   SER  30           HA       SER  30  -9.971 -15.513 -15.513
  965   1HB   SER  30          2HB       SER  30  -7.763 -17.214 -17.214
  966   2HB   SER  30          1HB       SER  30  -8.475 -17.624 -17.624
  967    HG   SER  30           HG       SER  30  -9.430 -18.481 -18.481
  968    H    GLU  31           H        GLU  31  -6.400 -15.394 -15.394
  969    HA   GLU  31           HA       GLU  31  -5.958 -15.012 -15.012
  970   1HB   GLU  31          2HB       GLU  31  -4.203 -14.248 -14.248
  971   2HB   GLU  31          1HB       GLU  31  -3.671 -14.652 -14.652
  972   1HG   GLU  31          2HG       GLU  31  -5.121 -16.877 -16.877
  973   2HG   GLU  31          1HG       GLU  31  -4.464 -16.438 -16.438
  974    H    LEU  32           H        LEU  32  -6.169 -12.830 -12.830
  975    HA   LEU  32           HA       LEU  32  -5.473 -10.385 -10.385
  976   1HB   LEU  32          2HB       LEU  32  -6.046 -10.987 -10.987
  977   2HB   LEU  32          1HB       LEU  32  -7.737 -10.781 -10.781
  978    HG   LEU  32           HG       LEU  32  -7.055  -8.487  -8.487
  979   1HD1  LEU  32          3HD1      LEU  32  -4.501  -9.464  -9.464
  980   2HD1  LEU  32          2HD1      LEU  32  -4.843  -8.246  -8.246
  981   3HD1  LEU  32          1HD1      LEU  32  -4.908  -7.816  -7.816
  982   1HD2  LEU  32          1HD2      LEU  32  -7.753  -9.378  -9.378
  983   2HD2  LEU  32          3HD2      LEU  32  -7.978  -7.759  -7.759
  984   3HD2  LEU  32          2HD2      LEU  32  -6.508  -8.150  -8.150
  985    H    LYS  33           H        LYS  33  -8.813 -11.654 -11.654
  986    HA   LYS  33           HA       LYS  33 -10.224  -9.808  -9.808
  987   1HB   LYS  33          2HB       LYS  33 -10.697 -12.235 -12.235
  988   2HB   LYS  33          1HB       LYS  33 -10.911 -12.642 -12.642
  989   1HG   LYS  33          2HG       LYS  33 -12.319 -10.418 -10.418
  990   2HG   LYS  33          1HG       LYS  33 -13.049 -11.915 -11.915
  991   1HD   LYS  33          2HD       LYS  33 -12.964 -11.251 -11.251
  992   2HD   LYS  33          1HD       LYS  33 -11.623 -10.140 -10.140
  993   1HE   LYS  33          2HE       LYS  33 -14.443  -9.709  -9.709
  994   2HE   LYS  33          1HE       LYS  33 -13.765  -8.918  -8.918
  995   1HZ   LYS  33          3HZ       LYS  33 -11.806  -8.463  -8.463
  996   2HZ   LYS  33          2HZ       LYS  33 -13.064  -8.561  -8.561
  997   3HZ   LYS  33          1HZ       LYS  33 -13.133  -7.414  -7.414
  998    H    GLU  34           H        GLU  34  -8.693 -12.827 -12.827
  999    HA   GLU  34           HA       GLU  34  -9.144 -12.543 -12.543
 1000   1HB   GLU  34          2HB       GLU  34  -7.599 -14.100 -14.100
 1001   2HB   GLU  34          1HB       GLU  34  -6.425 -13.391 -13.391
 1002   1HG   GLU  34          2HG       GLU  34  -7.916 -14.158 -14.158
 1003   2HG   GLU  34          1HG       GLU  34  -8.880 -15.032 -15.032
 1004    H    LEU  35           H        LEU  35  -6.449 -11.307 -11.307
 1005    HA   LEU  35           HA       LEU  35  -4.916 -10.044 -10.044
 1006   1HB   LEU  35          2HB       LEU  35  -4.889 -10.279 -10.279
 1007   2HB   LEU  35          1HB       LEU  35  -5.440  -8.609  -8.609
 1008    HG   LEU  35           HG       LEU  35  -3.267  -9.168  -9.168
 1009   1HD1  LEU  35          3HD1      LEU  35  -2.994 -10.510 -10.510
 1010   2HD1  LEU  35          2HD1      LEU  35  -2.119  -9.002  -9.002
 1011   3HD1  LEU  35          1HD1      LEU  35  -1.677 -10.055 -10.055
 1012   1HD2  LEU  35          3HD2      LEU  35  -4.114  -6.936  -6.936
 1013   2HD2  LEU  35          2HD2      LEU  35  -2.404  -7.109  -7.109
 1014   3HD2  LEU  35          1HD2      LEU  35  -3.617  -7.226  -7.226
 1015    H    ILE  36           H        ILE  36  -7.944  -8.812  -8.812
 1016    HA   ILE  36           HA       ILE  36  -7.701  -6.268  -6.268
 1017    HB   ILE  36           HB       ILE  36 -10.278  -7.269  -7.269
 1018   1HG1  ILE  36          2HG1      ILE  36  -8.742  -8.052  -8.052
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.366  -6.505  -6.505
 1020   1HG2  ILE  36          3HG2      ILE  36  -8.742  -4.671  -4.671
 1021   2HG2  ILE  36          2HG2      ILE  36 -10.279  -4.929  -4.929
 1022   3HG2  ILE  36          1HG2      ILE  36 -10.195  -5.037  -5.037
 1023   1HD1  ILE  36          2HD1      ILE  36  -7.189  -5.775  -5.775
 1024   2HD1  ILE  36          1HD1      ILE  36  -6.638  -7.238  -7.238
 1025   3HD1  ILE  36          3HD1      ILE  36  -7.214  -5.870  -5.870
 1026    H    ASN  37           H        ASN  37  -9.671  -9.242  -9.242
 1027    HA   ASN  37           HA       ASN  37 -11.094  -8.281  -8.281
 1028   1HB   ASN  37          2HB       ASN  37 -12.251 -10.290 -10.290
 1029   2HB   ASN  37          1HB       ASN  37 -11.641 -10.091 -10.091
 1030   1HD2  ASN  37          2HD2      ASN  37 -10.835 -13.558 -13.558
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.281 -12.669 -12.669
 1032    H    ASN  38           H        ASN  38  -7.992  -9.694  -9.694
 1033    HA   ASN  38           HA       ASN  38  -7.745 -10.832 -10.832
 1034   1HB   ASN  38          2HB       ASN  38  -6.105 -10.564 -10.564
 1035   2HB   ASN  38          1HB       ASN  38  -5.276 -10.921 -10.921
 1036   1HD2  ASN  38          1HD2      ASN  38  -4.954 -13.018 -13.018
 1037   2HD2  ASN  38          2HD2      ASN  38  -6.089 -14.254 -14.254
 1038    H    GLU  39           H        GLU  39  -7.572  -7.761  -7.761
 1039    HA   GLU  39           HA       GLU  39  -5.758  -6.767  -6.767
 1040   1HB   GLU  39          2HB       GLU  39  -5.170  -5.008  -5.008
 1041   2HB   GLU  39          1HB       GLU  39  -4.787  -6.618  -6.618
 1042   1HG   GLU  39          2HG       GLU  39  -6.904  -6.644  -6.644
 1043   2HG   GLU  39          1HG       GLU  39  -7.271  -5.023  -5.023
 1044    H    LEU  40           H        LEU  40  -8.557  -6.045  -6.045
 1045    HA   LEU  40           HA       LEU  40  -9.456  -4.005  -4.005
 1046   1HB   LEU  40          2HB       LEU  40 -10.283  -4.532  -4.532
 1047   2HB   LEU  40          1HB       LEU  40 -10.830  -3.185  -3.185
 1048    HG   LEU  40           HG       LEU  40  -7.897  -3.480  -3.480
 1049   1HD1  LEU  40          2HD1      LEU  40  -9.597  -3.332  -3.332
 1050   2HD1  LEU  40          1HD1      LEU  40  -8.342  -2.095  -2.095
 1051   3HD1  LEU  40          3HD1      LEU  40  -7.903  -3.802  -3.802
 1052   1HD2  LEU  40          2HD2      LEU  40  -9.872  -1.510  -1.510
 1053   2HD2  LEU  40          1HD2      LEU  40  -8.119  -1.341  -1.341
 1054   3HD2  LEU  40          3HD2      LEU  40  -8.961  -0.945  -0.945
 1055    H    SER  41           H        SER  41 -10.110  -5.994  -5.994
 1056    HA   SER  41           HA       SER  41 -11.821  -8.029  -8.029
 1057   1HB   SER  41          2HB       SER  41 -11.068  -6.539  -6.539
 1058   2HB   SER  41          1HB       SER  41 -12.792  -6.189  -6.189
 1059    HG   SER  41           HG       SER  41 -12.338  -8.063  -8.063
 1060    H    HIS  42           H        HIS  42 -12.786  -4.616  -4.616
 1061    HA   HIS  42           HA       HIS  42 -15.592  -4.879  -4.879
 1062   1HB   HIS  42          2HB       HIS  42 -13.581  -3.013  -3.013
 1063   2HB   HIS  42          1HB       HIS  42 -15.324  -2.739  -2.739
 1064    HD1  HIS  42           HD1      HIS  42 -16.515  -2.119  -2.119
 1065    HD2  HIS  42           HD2      HIS  42 -12.387  -2.574  -2.574
 1066    HE1  HIS  42           HE1      HIS  42 -15.886  -1.172  -1.172
 1067    H    PHE  43           H        PHE  43 -13.054  -5.330  -5.330
 1068    HA   PHE  43           HA       PHE  43 -14.828  -5.653  -5.653
 1069   1HB   PHE  43          2HB       PHE  43 -11.949  -6.299  -6.299
 1070   2HB   PHE  43          1HB       PHE  43 -12.656  -6.755  -6.755
 1071    HD1  PHE  43           HD2      PHE  43 -12.319  -3.804  -3.804
 1072    HD2  PHE  43           HD1      PHE  43 -12.692  -5.234  -5.234
 1073    HE1  PHE  43           HE2      PHE  43 -11.992  -1.489  -1.489
 1074    HE2  PHE  43           HE1      PHE  43 -12.396  -2.918  -2.918
 1075    HZ   PHE  43           HZ       PHE  43 -12.044  -1.049  -1.049
 1076    H    LEU  44           H        LEU  44 -13.855  -7.740  -7.740
 1077    HA   LEU  44           HA       LEU  44 -14.070 -10.306 -10.306
 1078   1HB   LEU  44          2HB       LEU  44 -13.633  -9.341  -9.341
 1079   2HB   LEU  44          1HB       LEU  44 -15.342  -9.732  -9.732
 1080    HG   LEU  44           HG       LEU  44 -14.705 -12.029 -12.029
 1081   1HD1  LEU  44          2HD1      LEU  44 -12.170 -10.679 -10.679
 1082   2HD1  LEU  44          1HD1      LEU  44 -12.093 -12.070 -12.070
 1083   3HD1  LEU  44          3HD1      LEU  44 -12.545 -12.293 -12.293
 1084   1HD2  LEU  44          1HD2      LEU  44 -14.959 -11.119 -11.119
 1085   2HD2  LEU  44          3HD2      LEU  44 -14.771 -12.814 -12.814
 1086   3HD2  LEU  44          2HD2      LEU  44 -13.364 -11.867 -11.867
 1087    H    GLU  45           H        GLU  45 -16.489  -8.128  -8.128
 1088    HA   GLU  45           HA       GLU  45 -18.743  -9.742  -9.742
 1089   1HB   GLU  45          2HB       GLU  45 -18.146  -7.828  -7.828
 1090   2HB   GLU  45          1HB       GLU  45 -19.514  -7.247  -7.247
 1091   1HG   GLU  45          2HG       GLU  45 -19.374 -10.088 -10.088
 1092   2HG   GLU  45          1HG       GLU  45 -20.082  -8.785  -8.785
 1093    H    GLU  46           H        GLU  46 -16.744  -7.053  -7.053
 1094    HA   GLU  46           HA       GLU  46 -16.671  -5.650  -5.650
 1095   1HB   GLU  46          2HB       GLU  46 -17.641  -8.092  -8.092
 1096   2HB   GLU  46          1HB       GLU  46 -18.957  -7.043  -7.043
 1097   1HG   GLU  46          2HG       GLU  46 -17.620  -5.913  -5.913
 1098   2HG   GLU  46          1HG       GLU  46 -16.139  -6.251  -6.251
 1099    H    ILE  47           H        ILE  47 -20.120  -6.530  -6.530
 1100    HA   ILE  47           HA       ILE  47 -21.515  -4.337  -4.337
 1101    HB   ILE  47           HB       ILE  47 -22.200  -6.429  -6.429
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.199  -5.366  -5.366
 1103   2HG1  ILE  47          1HG1      ILE  47 -23.385  -3.803  -3.803
 1104   1HG2  ILE  47          2HG2      ILE  47 -20.642  -5.999  -5.999
 1105   2HG2  ILE  47          1HG2      ILE  47 -21.593  -4.581  -4.581
 1106   3HG2  ILE  47          3HG2      ILE  47 -22.311  -6.189  -6.189
 1107   1HD1  ILE  47          2HD1      ILE  47 -23.515  -5.284  -5.284
 1108   2HD1  ILE  47          1HD1      ILE  47 -24.942  -4.410  -4.410
 1109   3HD1  ILE  47          3HD1      ILE  47 -23.428  -3.546  -3.546
 1110    H    LYS  48           H        LYS  48 -19.551  -4.505  -4.505
 1111    HA   LYS  48           HA       LYS  48 -20.131  -2.174  -2.174
 1112   1HB   LYS  48          2HB       LYS  48 -17.643  -3.699  -3.699
 1113   2HB   LYS  48          1HB       LYS  48 -17.446  -2.126  -2.126
 1114   1HG   LYS  48          2HG       LYS  48 -17.609  -3.757  -3.757
 1115   2HG   LYS  48          1HG       LYS  48 -19.135  -2.872  -2.872
 1116   1HD   LYS  48          2HD       LYS  48 -20.298  -4.655  -4.655
 1117   2HD   LYS  48          1HD       LYS  48 -18.822  -5.400  -5.400
 1118   1HE   LYS  48          2HE       LYS  48 -19.768  -6.631  -6.631
 1119   2HE   LYS  48          1HE       LYS  48 -18.143  -5.995  -5.995
 1120   1HZ   LYS  48          1HZ       LYS  48 -20.637  -4.504  -4.504
 1121   2HZ   LYS  48          3HZ       LYS  48 -19.828  -5.460  -5.460
 1122   3HZ   LYS  48          2HZ       LYS  48 -19.054  -4.103  -4.103
 1123    H    GLU  49           H        GLU  49 -18.642  -2.473  -2.473
 1124    HA   GLU  49           HA       GLU  49 -18.722   0.508   0.508
 1125   1HB   GLU  49          2HB       GLU  49 -16.529   0.199   0.199
 1126   2HB   GLU  49          1HB       GLU  49 -16.426  -0.020  -0.020
 1127   1HG   GLU  49          2HG       GLU  49 -17.132  -2.482  -2.482
 1128   2HG   GLU  49          1HG       GLU  49 -15.556  -1.843  -1.843
 1129    H    GLN  50           H        GLN  50 -20.812  -0.732  -0.732
 1130    HA   GLN  50           HA       GLN  50 -20.968  -2.215  -2.215
 1131   1HB   GLN  50          2HB       GLN  50 -22.790  -0.342  -0.342
 1132   2HB   GLN  50          1HB       GLN  50 -23.032  -1.471  -1.471
 1133   1HG   GLN  50          2HG       GLN  50 -22.678   0.134   0.134
 1134   2HG   GLN  50          1HG       GLN  50 -21.577   1.065   1.065
 1135   1HE2  GLN  50          2HE2      GLN  50 -25.528   1.502   1.502
 1136   2HE2  GLN  50          1HE2      GLN  50 -24.891  -0.056  -0.056
 1137    H    GLU  51           H        GLU  51 -20.788   1.365   1.365
 1138    HA   GLU  51           HA       GLU  51 -20.324   1.599   1.599
 1139   1HB   GLU  51          2HB       GLU  51 -20.442   3.456   3.456
 1140   2HB   GLU  51          1HB       GLU  51 -18.839   3.025   3.025
 1141   1HG   GLU  51          2HG       GLU  51 -18.289   3.197   3.197
 1142   2HG   GLU  51          1HG       GLU  51 -19.607   4.367   4.367
 1143    H    VAL  52           H        VAL  52 -17.902   0.646   0.646
 1144    HA   VAL  52           HA       VAL  52 -15.705   0.517   0.517
 1145    HB   VAL  52           HB       VAL  52 -16.089  -0.821  -0.821
 1146   1HG1  VAL  52          1HG1      VAL  52 -13.926  -0.761  -0.761
 1147   2HG1  VAL  52          3HG1      VAL  52 -13.424  -0.003  -0.003
 1148   3HG1  VAL  52          2HG1      VAL  52 -14.035  -1.657  -1.657
 1149   1HG2  VAL  52          3HG2      VAL  52 -15.166   1.952   1.952
 1150   2HG2  VAL  52          2HG2      VAL  52 -16.467   1.521   1.521
 1151   3HG2  VAL  52          1HG2      VAL  52 -14.787   1.242   1.242
 1152    H    VAL  53           H        VAL  53 -17.884  -1.876  -1.876
 1153    HA   VAL  53           HA       VAL  53 -16.879  -4.245  -4.245
 1154    HB   VAL  53           HB       VAL  53 -19.800  -3.451  -3.451
 1155   1HG1  VAL  53          3HG1      VAL  53 -18.377  -5.912  -5.912
 1156   2HG1  VAL  53          2HG1      VAL  53 -19.305  -6.061  -6.061
 1157   3HG1  VAL  53          1HG1      VAL  53 -20.115  -5.608  -5.608
 1158   1HG2  VAL  53          3HG2      VAL  53 -17.669  -3.763  -3.763
 1159   2HG2  VAL  53          2HG2      VAL  53 -19.235  -2.964  -2.964
 1160   3HG2  VAL  53          1HG2      VAL  53 -19.118  -4.713  -4.713
 1161    H    ASP  54           H        ASP  54 -18.809  -1.629  -1.629
 1162    HA   ASP  54           HA       ASP  54 -19.419  -2.883  -2.883
 1163   1HB   ASP  54          2HB       ASP  54 -20.772  -1.066  -1.066
 1164   2HB   ASP  54          1HB       ASP  54 -19.393  -0.113  -0.113
 1165    H    LYS  55           H        LYS  55 -16.861  -0.715  -0.715
 1166    HA   LYS  55           HA       LYS  55 -15.463  -0.562  -0.562
 1167   1HB   LYS  55          2HB       LYS  55 -15.054   0.225   0.225
 1168   2HB   LYS  55          1HB       LYS  55 -13.671   0.278   0.278
 1169   1HG   LYS  55          2HG       LYS  55 -14.548   2.412   2.412
 1170   2HG   LYS  55          1HG       LYS  55 -15.356   1.538   1.538
 1171   1HD   LYS  55          2HD       LYS  55 -17.269   1.118   1.118
 1172   2HD   LYS  55          1HD       LYS  55 -16.486   2.212   2.212
 1173   1HE   LYS  55          2HE       LYS  55 -17.080   3.062   3.062
 1174   2HE   LYS  55          1HE       LYS  55 -18.261   3.270   3.270
 1175   1HZ   LYS  55          2HZ       LYS  55 -15.466   4.077   4.077
 1176   2HZ   LYS  55          1HZ       LYS  55 -16.496   5.113   5.113
 1177   3HZ   LYS  55          3HZ       LYS  55 -16.880   4.675   4.675
 1178    H    VAL  56           H        VAL  56 -14.442  -1.952  -1.952
 1179    HA   VAL  56           HA       VAL  56 -12.241  -3.431  -3.431
 1180    HB   VAL  56           HB       VAL  56 -14.736  -4.195  -4.195
 1181   1HG1  VAL  56          1HG1      VAL  56 -12.165  -5.656  -5.656
 1182   2HG1  VAL  56          3HG1      VAL  56 -12.821  -5.620  -5.620
 1183   3HG1  VAL  56          2HG1      VAL  56 -13.780  -6.289  -6.289
 1184   1HG2  VAL  56          3HG2      VAL  56 -12.598  -2.348  -2.348
 1185   2HG2  VAL  56          2HG2      VAL  56 -13.918  -2.743  -2.743
 1186   3HG2  VAL  56          1HG2      VAL  56 -12.409  -3.653  -3.653
 1187    H    MET  57           H        MET  57 -15.579  -4.488  -4.488
 1188    HA   MET  57           HA       MET  57 -14.770  -6.958  -6.958
 1189   1HB   MET  57          2HB       MET  57 -17.270  -5.251  -5.251
 1190   2HB   MET  57          1HB       MET  57 -17.191  -6.801  -6.801
 1191   1HG   MET  57          2HG       MET  57 -16.276  -7.706  -7.706
 1192   2HG   MET  57          1HG       MET  57 -16.989  -6.243  -6.243
 1193   1HE   MET  57          1HE       MET  57 -17.174  -9.562  -9.562
 1194   2HE   MET  57          3HE       MET  57 -18.196  -9.251  -9.251
 1195   3HE   MET  57          2HE       MET  57 -18.857 -10.085 -10.085
 1196    H    GLU  58           H        GLU  58 -15.616  -3.702  -3.702
 1197    HA   GLU  58           HA       GLU  58 -15.558  -4.303  -4.303
 1198   1HB   GLU  58          2HB       GLU  58 -15.773  -1.999  -1.999
 1199   2HB   GLU  58          1HB       GLU  58 -16.245  -2.192  -2.192
 1200   1HG   GLU  58          2HG       GLU  58 -14.664  -0.570  -0.570
 1201   2HG   GLU  58          1HG       GLU  58 -13.561  -1.946  -1.946
 1202    H    THR  59           H        THR  59 -12.988  -3.904  -3.904
 1203    HA   THR  59           HA       THR  59 -10.903  -3.399  -3.399
 1204    HB   THR  59           HB       THR  59 -10.392  -4.413  -4.413
 1205    HG1  THR  59           HG1      THR  59 -10.862  -2.199  -2.199
 1206   1HG2  THR  59          1HG2      THR  59  -8.590  -3.638  -3.638
 1207   2HG2  THR  59          3HG2      THR  59  -9.321  -2.034  -2.034
 1208   3HG2  THR  59          2HG2      THR  59  -8.653  -2.728  -2.728
 1209    H    LEU  60           H        LEU  60 -11.917  -6.169  -6.169
 1210    HA   LEU  60           HA       LEU  60  -9.953  -8.038  -8.038
 1211   1HB   LEU  60          2HB       LEU  60 -12.893  -8.390  -8.390
 1212   2HB   LEU  60          1HB       LEU  60 -11.708  -9.695  -9.695
 1213    HG   LEU  60           HG       LEU  60 -11.550  -7.225  -7.225
 1214   1HD1  LEU  60          1HD1      LEU  60 -13.179  -9.444  -9.444
 1215   2HD1  LEU  60          3HD1      LEU  60 -11.752  -9.861  -9.861
 1216   3HD1  LEU  60          2HD1      LEU  60 -12.642  -8.378  -8.378
 1217   1HD2  LEU  60          2HD2      LEU  60  -9.800  -9.668  -9.668
 1218   2HD2  LEU  60          1HD2      LEU  60  -9.327  -7.970  -7.970
 1219   3HD2  LEU  60          3HD2      LEU  60  -9.754  -8.687  -8.687
 1220    H    ASP  61           H        ASP  61 -13.071  -7.202  -7.202
 1221    HA   ASP  61           HA       ASP  61 -12.580  -9.033  -9.033
 1222   1HB   ASP  61          2HB       ASP  61 -14.790  -7.889  -7.889
 1223   2HB   ASP  61          1HB       ASP  61 -14.864  -7.311  -7.311
 1224    H    SER  62           H        SER  62 -11.466  -6.051  -6.051
 1225    HA   SER  62           HA       SER  62 -11.958  -4.631  -4.631
 1226   1HB   SER  62          2HB       SER  62 -11.678  -3.109  -3.109
 1227   2HB   SER  62          1HB       SER  62 -10.671  -4.198  -4.198
 1228    HG   SER  62           HG       SER  62  -9.926  -2.688  -2.688
 1229    H    ASP  63           H        ASP  63 -10.289  -7.308  -7.308
 1230    HA   ASP  63           HA       ASP  63  -8.605  -8.291  -8.291
 1231   1HB   ASP  63          2HB       ASP  63  -9.432  -6.126  -6.126
 1232   2HB   ASP  63          1HB       ASP  63  -7.747  -5.689  -5.689
 1233    H    GLY  64           H        GLY  64  -6.201  -8.286  -8.286
 1234   1HA   GLY  64          2HA       GLY  64  -4.161  -8.125  -8.125
 1235   2HA   GLY  64          1HA       GLY  64  -4.541  -6.405  -6.405
 1236    H    ASP  65           H        ASP  65  -6.779  -8.726  -8.726
 1237    HA   ASP  65           HA       ASP  65  -5.801  -8.095  -8.095
 1238   1HB   ASP  65          2HB       ASP  65  -8.210  -7.352  -7.352
 1239   2HB   ASP  65          1HB       ASP  65  -8.639  -8.511  -8.511
 1240    H    GLY  66           H        GLY  66  -7.976 -10.331 -10.331
 1241   1HA   GLY  66          2HA       GLY  66  -8.272 -12.354 -12.354
 1242   2HA   GLY  66          1HA       GLY  66  -8.051 -12.700 -12.700
 1243    H    GLU  67           H        GLU  67  -5.451 -11.613 -11.613
 1244    HA   GLU  67           HA       GLU  67  -3.822 -13.629 -13.629
 1245   1HB   GLU  67          2HB       GLU  67  -2.410 -13.453 -13.453
 1246   2HB   GLU  67          1HB       GLU  67  -4.066 -13.695 -13.695
 1247   1HG   GLU  67          2HG       GLU  67  -4.006 -10.984 -10.984
 1248   2HG   GLU  67          1HG       GLU  67  -2.316 -11.309 -11.309
 1249    H    CYS  68           H        CYS  68  -3.606 -12.068 -12.068
 1250    HA   CYS  68           HA       CYS  68  -2.306  -9.505  -9.505
 1251   1HB   CYS  68          2HB       CYS  68  -3.451 -10.808 -10.808
 1252   2HB   CYS  68          1HB       CYS  68  -2.504  -9.323  -9.323
 1253    HG   CYS  68           HG       CYS  68  -4.364  -8.027  -8.027
 1254    H    ASP  69           H        ASP  69  -0.115  -9.481  -9.481
 1255    HA   ASP  69           HA       ASP  69   1.466 -11.364 -11.364
 1256   1HB   ASP  69          2HB       ASP  69   2.095 -10.119 -10.119
 1257   2HB   ASP  69          1HB       ASP  69   3.123 -11.238 -11.238
 1258    H    PHE  70           H        PHE  70   2.895 -10.499 -10.499
 1259    HA   PHE  70           HA       PHE  70   3.976  -8.889  -8.889
 1260   1HB   PHE  70          2HB       PHE  70   4.899  -8.763  -8.763
 1261   2HB   PHE  70          1HB       PHE  70   5.640  -7.690  -7.690
 1262    HD1  PHE  70           HD2      PHE  70   4.432 -11.227 -11.227
 1263    HD2  PHE  70           HD1      PHE  70   7.594  -8.545  -8.545
 1264    HE1  PHE  70           HE2      PHE  70   5.681 -13.106 -13.106
 1265    HE2  PHE  70           HE1      PHE  70   8.852 -10.467 -10.467
 1266    HZ   PHE  70           HZ       PHE  70   7.862 -12.730 -12.730
 1267    H    GLN  71           H        GLN  71   3.249  -7.097  -7.097
 1268    HA   GLN  71           HA       GLN  71   2.810  -4.624  -4.624
 1269   1HB   GLN  71          2HB       GLN  71   2.996  -3.562  -3.562
 1270   2HB   GLN  71          1HB       GLN  71   4.165  -4.885  -4.885
 1271   1HG   GLN  71          2HG       GLN  71   3.193  -5.557  -5.557
 1272   2HG   GLN  71          1HG       GLN  71   1.859  -6.111  -6.111
 1273   1HE2  GLN  71          2HE2      GLN  71   0.125  -3.946  -3.946
 1274   2HE2  GLN  71          1HE2      GLN  71   0.721  -5.530  -5.530
 1275    H    GLU  72           H        GLU  72   0.850  -6.978  -6.978
 1276    HA   GLU  72           HA       GLU  72  -1.442  -5.295  -5.295
 1277   1HB   GLU  72          2HB       GLU  72  -1.198  -8.288  -8.288
 1278   2HB   GLU  72          1HB       GLU  72  -2.573  -7.455  -7.455
 1279   1HG   GLU  72          2HG       GLU  72  -0.823  -6.424  -6.424
 1280   2HG   GLU  72          1HG       GLU  72   0.233  -7.722  -7.722
 1281    H    PHE  73           H        PHE  73  -0.410  -7.382  -7.382
 1282    HA   PHE  73           HA       PHE  73  -2.825  -7.134  -7.134
 1283   1HB   PHE  73          2HB       PHE  73  -1.535  -8.577  -8.577
 1284   2HB   PHE  73          1HB       PHE  73  -0.099  -8.053  -8.053
 1285    HD1  PHE  73           HD2      PHE  73  -2.405  -6.472  -6.472
 1286    HD2  PHE  73           HD1      PHE  73   1.640  -7.445  -7.445
 1287    HE1  PHE  73           HE2      PHE  73  -1.586  -5.286  -5.286
 1288    HE2  PHE  73           HE1      PHE  73   2.456  -6.272  -6.272
 1289    HZ   PHE  73           HZ       PHE  73   0.842  -5.194  -5.194
 1290    H    MET  74           H        MET  74   0.184  -5.218  -5.218
 1291    HA   MET  74           HA       MET  74  -0.752  -3.181  -3.181
 1292   1HB   MET  74          2HB       MET  74   1.465  -3.792  -3.792
 1293   2HB   MET  74          1HB       MET  74   1.054  -2.082  -2.082
 1294   1HG   MET  74          2HG       MET  74   0.948  -2.379  -2.379
 1295   2HG   MET  74          1HG       MET  74   2.109  -3.658  -3.658
 1296   1HE   MET  74          1HE       MET  74   1.352  -0.261  -0.261
 1297   2HE   MET  74          3HE       MET  74   2.594   0.798   0.798
 1298   3HE   MET  74          2HE       MET  74   1.311   0.170   0.170
 1299    H    ALA  75           H        ALA  75  -1.068  -3.656  -3.656
 1300    HA   ALA  75           HA       ALA  75  -2.001  -1.018  -1.018
 1301   1HB   ALA  75          3HB       ALA  75  -1.087  -2.866  -2.866
 1302   2HB   ALA  75          2HB       ALA  75  -2.636  -3.688  -3.688
 1303   3HB   ALA  75          1HB       ALA  75  -2.566  -2.116  -2.116
 1304    H    PHE  76           H        PHE  76  -3.816  -4.071  -4.071
 1305    HA   PHE  76           HA       PHE  76  -6.403  -2.824  -2.824
 1306   1HB   PHE  76          2HB       PHE  76  -6.265  -5.066  -5.066
 1307   2HB   PHE  76          1HB       PHE  76  -5.225  -5.507  -5.507
 1308    HD1  PHE  76           HD1      PHE  76  -8.690  -4.425  -4.425
 1309    HD2  PHE  76           HD2      PHE  76  -6.140  -6.362  -6.362
 1310    HE1  PHE  76           HE1      PHE  76 -10.685  -5.153  -5.153
 1311    HE2  PHE  76           HE2      PHE  76  -8.131  -7.087  -7.087
 1312    HZ   PHE  76           HZ       PHE  76 -10.404  -6.484  -6.484
 1313    H    VAL  77           H        VAL  77  -4.439  -4.228  -4.228
 1314    HA   VAL  77           HA       VAL  77  -6.155  -3.775  -3.775
 1315    HB   VAL  77           HB       VAL  77  -3.722  -4.715  -4.715
 1316   1HG1  VAL  77          1HG1      VAL  77  -2.720  -2.618  -2.618
 1317   2HG1  VAL  77          3HG1      VAL  77  -3.157  -1.817  -1.817
 1318   3HG1  VAL  77          2HG1      VAL  77  -1.975  -3.127  -3.127
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.325  -3.917  -3.917
 1320   2HG2  VAL  77          1HG2      VAL  77  -3.859  -4.886  -4.886
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.783  -3.137  -3.137
 1322    H    ALA  78           H        ALA  78  -4.096  -1.508  -1.508
 1323    HA   ALA  78           HA       ALA  78  -4.676   0.817   0.817
 1324   1HB   ALA  78          1HB       ALA  78  -2.810   0.456   0.456
 1325   2HB   ALA  78          3HB       ALA  78  -4.026   0.619   0.619
 1326   3HB   ALA  78          2HB       ALA  78  -3.683   1.977   1.977
 1327    H    MET  79           H        MET  79  -6.102  -0.615  -0.615
 1328    HA   MET  79           HA       MET  79  -8.083   1.351   1.351
 1329   1HB   MET  79          2HB       MET  79  -7.544  -1.493  -1.493
 1330   2HB   MET  79          1HB       MET  79  -9.256  -1.074  -1.074
 1331   1HG   MET  79          2HG       MET  79  -7.058   0.350   0.350
 1332   2HG   MET  79          1HG       MET  79  -8.238  -0.764  -0.764
 1333   1HE   MET  79          2HE       MET  79  -7.097   2.271   2.271
 1334   2HE   MET  79          1HE       MET  79  -8.007   3.300   3.300
 1335   3HE   MET  79          3HE       MET  79  -8.409   3.272   3.272
 1336    H    ILE  80           H        ILE  80  -7.914  -1.312  -1.312
 1337    HA   ILE  80           HA       ILE  80 -10.607  -1.300  -1.300
 1338    HB   ILE  80           HB       ILE  80  -8.058  -1.665  -1.665
 1339   1HG1  ILE  80          2HG1      ILE  80  -7.907  -3.023  -3.023
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.256  -4.060  -4.060
 1341   1HG2  ILE  80          3HG2      ILE  80 -10.437  -1.593  -1.593
 1342   2HG2  ILE  80          2HG2      ILE  80 -10.619  -3.184  -3.184
 1343   3HG2  ILE  80          1HG2      ILE  80  -9.344  -2.904  -2.904
 1344   1HD1  ILE  80          3HD1      ILE  80 -10.748  -3.151  -3.151
 1345   2HD1  ILE  80          2HD1      ILE  80  -9.792  -3.726  -3.726
 1346   3HD1  ILE  80          1HD1      ILE  80 -10.113  -4.795  -4.795
 1347    H    THR  81           H        THR  81  -7.818   0.118   0.118
 1348    HA   THR  81           HA       THR  81  -9.210   1.778   1.778
 1349    HB   THR  81           HB       THR  81  -6.549   2.150   2.150
 1350    HG1  THR  81           HG1      THR  81  -7.218   0.302   0.302
 1351   1HG2  THR  81          1HG2      THR  81  -7.987   3.972   3.972
 1352   2HG2  THR  81          3HG2      THR  81  -6.678   3.317   3.317
 1353   3HG2  THR  81          2HG2      THR  81  -6.315   4.102   4.102
 1354    H    THR  82           H        THR  82  -8.093   2.560   2.560
 1355    HA   THR  82           HA       THR  82  -9.100   5.273   5.273
 1356    HB   THR  82           HB       THR  82  -8.884   3.730   3.730
 1357    HG1  THR  82           HG1      THR  82  -6.605   4.500   4.500
 1358   1HG2  THR  82          2HG2      THR  82  -8.683   6.462   6.462
 1359   2HG2  THR  82          1HG2      THR  82  -7.221   6.007   6.007
 1360   3HG2  THR  82          3HG2      THR  82  -8.798   5.866   5.866
 1361    H    ALA  83           H        ALA  83 -10.521   2.140   2.140
 1362    HA   ALA  83           HA       ALA  83 -12.856   2.848   2.848
 1363   1HB   ALA  83          3HB       ALA  83 -11.905   0.585   0.585
 1364   2HB   ALA  83          2HB       ALA  83 -12.948   0.993   0.993
 1365   3HB   ALA  83          1HB       ALA  83 -13.638   0.771   0.771
 1366    H    CYS  84           H        CYS  84 -11.838   3.539   3.539
 1367    HA   CYS  84           HA       CYS  84 -14.493   4.460   4.460
 1368   1HB   CYS  84          2HB       CYS  84 -12.134   3.419   3.419
 1369   2HB   CYS  84          1HB       CYS  84 -12.180   5.102   5.102
 1370    HG   CYS  84           HG       CYS  84 -14.575   4.653   4.653
 1371    H    HIS  85           H        HIS  85 -11.420   5.744   5.744
 1372    HA   HIS  85           HA       HIS  85 -10.680   7.983   7.983
 1373   1HB   HIS  85          2HB       HIS  85 -12.844   7.295   7.295
 1374   2HB   HIS  85          1HB       HIS  85 -13.455   8.743   8.743
 1375    HD1  HIS  85           HD1      HIS  85  -9.906   8.036   8.036
 1376    HD2  HIS  85           HD2      HIS  85 -13.028  10.697  10.697
 1377    HE1  HIS  85           HE1      HIS  85  -9.004   9.767   9.767
 1378    H    GLU  86           H        GLU  86 -11.599   7.371   7.371
 1379    HA   GLU  86           HA       GLU  86 -12.522  10.109  10.109
 1380   1HB   GLU  86          2HB       GLU  86 -14.316   8.310   8.310
 1381   2HB   GLU  86          1HB       GLU  86 -13.416   7.500   7.500
 1382   1HG   GLU  86          2HG       GLU  86 -14.516   8.807   8.807
 1383   2HG   GLU  86          1HG       GLU  86 -13.588  10.168  10.168
 1384    H    PHE  87           H        PHE  87  -9.771   9.019   9.019
 1385    HA   PHE  87           HA       PHE  87  -9.382   8.922   8.922
 1386   1HB   PHE  87          2HB       PHE  87  -7.095   7.839   7.839
 1387   2HB   PHE  87          1HB       PHE  87  -8.545   6.875   6.875
 1388    HD1  PHE  87           HD1      PHE  87 -10.055   6.808   6.808
 1389    HD2  PHE  87           HD2      PHE  87  -5.816   7.779   7.779
 1390    HE1  PHE  87           HE1      PHE  87  -9.903   6.116   6.116
 1391    HE2  PHE  87           HE2      PHE  87  -5.725   7.044   7.044
 1392    HZ   PHE  87           HZ       PHE  87  -7.735   6.243   6.243
 1393    H    PHE  88           H        PHE  88  -6.429   9.346   9.346
 1394    HA   PHE  88           HA       PHE  88  -4.928  11.113  11.113
 1395   1HB   PHE  88          2HB       PHE  88  -7.178  12.086  12.086
 1396   2HB   PHE  88          1HB       PHE  88  -5.579  12.823  12.823
 1397    HD1  PHE  88           HD2      PHE  88  -4.806   9.550   9.550
 1398    HD2  PHE  88           HD1      PHE  88  -6.325  12.019  12.019
 1399    HE1  PHE  88           HE2      PHE  88  -4.007   7.897   7.897
 1400    HE2  PHE  88           HE1      PHE  88  -5.574  10.382  10.382
 1401    HZ   PHE  88           HZ       PHE  88  -4.412   8.316   8.316
 1402    H    GLU  89           H        GLU  89  -8.111  12.688  12.688
 1403    HA   GLU  89           HA       GLU  89  -8.047  13.616  13.616
 1404   1HB   GLU  89          2HB       GLU  89  -6.315  14.912  14.912
 1405   2HB   GLU  89          1HB       GLU  89  -7.680  16.013  16.013
 1406   1HG   GLU  89          2HG       GLU  89  -6.866  14.834  14.834
 1407   2HG   GLU  89          1HG       GLU  89  -5.542  15.711  15.711
 1408    H    HIS  90           H        HIS  90 -10.017  12.468  12.468
 1409    HA   HIS  90           HA       HIS  90 -12.313  12.774  12.774
 1410   1HB   HIS  90          2HB       HIS  90 -11.944  14.175  14.175
 1411   2HB   HIS  90          1HB       HIS  90 -11.940  15.574  15.574
 1412    HD1  HIS  90           HD1      HIS  90 -14.120  14.221  14.221
 1413    HD2  HIS  90           HD2      HIS  90 -14.515  14.843  14.843
 1414    HE1  HIS  90           HE1      HIS  90 -16.605  14.265  14.265
 1415    H    GLU  91           H        GLU  91 -11.853  12.745  12.745
 1416    HA   GLU  91           HA       GLU  91 -10.962  14.892  14.892
 1417   1HB   GLU  91          2HB       GLU  91 -12.597  12.428  12.428
 1418   2HB   GLU  91          1HB       GLU  91 -12.708  13.601  13.601
 1419   1HG   GLU  91          2HG       GLU  91  -9.994  13.532  13.532
 1420   2HG   GLU  91          1HG       GLU  91 -10.475  11.851  11.851

  Start of MODEL   23
    1   1H    MET   0          3H        MET   0  -0.215  -9.058  -9.058
    2   2H    MET   0          2H        MET   0  -1.395  -9.482  -9.482
    3   3H    MET   0          1H        MET   0  -0.350 -10.666 -10.666
    4    HA   MET   0           HA       MET   0  -1.357 -10.570 -10.570
    5   1HB   MET   0          2HB       MET   0  -2.409 -11.859 -11.859
    6   2HB   MET   0          1HB       MET   0  -3.433 -10.466 -10.466
    7   1HG   MET   0          2HG       MET   0  -4.319 -10.582 -10.582
    8   2HG   MET   0          1HG       MET   0  -3.362 -12.042 -12.042
    9   1HE   MET   0          3HE       MET   0  -5.922 -10.213 -10.213
   10   2HE   MET   0          2HE       MET   0  -6.876 -11.415 -11.415
   11   3HE   MET   0          1HE       MET   0  -5.256 -11.016 -11.016
   12    H    SER   1           H        SER   1  -2.203  -7.898  -7.898
   13    HA   SER   1           HA       SER   1  -4.016  -6.648  -6.648
   14   1HB   SER   1          2HB       SER   1  -3.900  -6.621  -6.621
   15   2HB   SER   1          1HB       SER   1  -2.836  -5.248  -5.248
   16    HG   SER   1           HG       SER   1  -5.065  -4.665  -4.665
   17    H    GLU   2           H        GLU   2  -0.716  -6.972  -6.972
   18    HA   GLU   2           HA       GLU   2   0.606  -4.597  -4.597
   19   1HB   GLU   2          2HB       GLU   2   0.681  -7.229  -7.229
   20   2HB   GLU   2          1HB       GLU   2   1.639  -5.933  -5.933
   21   1HG   GLU   2          2HG       GLU   2   2.714  -5.532  -5.532
   22   2HG   GLU   2          1HG       GLU   2   1.787  -6.872  -6.872
   23    H    LEU   3           H        LEU   3  -1.827  -5.825  -5.825
   24    HA   LEU   3           HA       LEU   3  -1.250  -3.866  -3.866
   25   1HB   LEU   3          2HB       LEU   3  -3.723  -5.543  -5.543
   26   2HB   LEU   3          1HB       LEU   3  -3.147  -4.912  -4.912
   27    HG   LEU   3           HG       LEU   3  -1.132  -6.524  -6.524
   28   1HD1  LEU   3          1HD1      LEU   3  -3.522  -7.552  -7.552
   29   2HD1  LEU   3          3HD1      LEU   3  -3.390  -8.122  -8.122
   30   3HD1  LEU   3          2HD1      LEU   3  -2.179  -8.592  -8.592
   31   1HD2  LEU   3          2HD2      LEU   3  -2.070  -5.882  -5.882
   32   2HD2  LEU   3          1HD2      LEU   3  -0.501  -6.510  -6.510
   33   3HD2  LEU   3          3HD2      LEU   3  -1.831  -7.620  -7.620
   34    H    GLU   4           H        GLU   4  -4.053  -4.353  -4.353
   35    HA   GLU   4           HA       GLU   4  -5.364  -1.893  -1.893
   36   1HB   GLU   4          2HB       GLU   4  -6.549  -3.543  -3.543
   37   2HB   GLU   4          1HB       GLU   4  -5.228  -3.780  -3.780
   38   1HG   GLU   4          2HG       GLU   4  -6.422  -1.055  -1.055
   39   2HG   GLU   4          1HG       GLU   4  -7.409  -2.324  -2.324
   40    H    LYS   5           H        LYS   5  -2.789  -2.730  -2.730
   41    HA   LYS   5           HA       LYS   5  -2.652  -0.174  -0.174
   42   1HB   LYS   5          2HB       LYS   5  -0.411  -2.172  -2.172
   43   2HB   LYS   5          1HB       LYS   5  -0.704  -1.147  -1.147
   44   1HG   LYS   5          2HG       LYS   5  -3.036  -2.794  -2.794
   45   2HG   LYS   5          1HG       LYS   5  -1.599  -3.815  -3.815
   46   1HD   LYS   5          2HD       LYS   5  -1.963  -3.689  -3.689
   47   2HD   LYS   5          1HD       LYS   5  -1.049  -2.191  -2.191
   48   1HE   LYS   5          2HE       LYS   5  -3.140  -0.908  -0.908
   49   2HE   LYS   5          1HE       LYS   5  -4.082  -2.407  -2.407
   50   1HZ   LYS   5          1HZ       LYS   5  -2.068  -2.082  -2.082
   51   2HZ   LYS   5          3HZ       LYS   5  -3.310  -0.931  -0.931
   52   3HZ   LYS   5          2HZ       LYS   5  -3.683  -2.587  -2.587
   53    H    ALA   6           H        ALA   6  -0.859  -1.639  -1.639
   54    HA   ALA   6           HA       ALA   6   0.774   0.700   0.700
   55   1HB   ALA   6          2HB       ALA   6  -0.043  -1.803  -1.803
   56   2HB   ALA   6          1HB       ALA   6   0.846  -0.542  -0.542
   57   3HB   ALA   6          3HB       ALA   6   1.560  -1.324  -1.324
   58    H    VAL   7           H        VAL   7  -2.439  -0.379  -0.379
   59    HA   VAL   7           HA       VAL   7  -2.967   1.470   1.470
   60    HB   VAL   7           HB       VAL   7  -4.383  -0.358  -0.358
   61   1HG1  VAL   7          3HG1      VAL   7  -5.575   2.009   2.009
   62   2HG1  VAL   7          2HG1      VAL   7  -6.431   0.505   0.505
   63   3HG1  VAL   7          1HG1      VAL   7  -6.164   1.008   1.008
   64   1HG2  VAL   7          3HG2      VAL   7  -4.033  -0.084  -0.084
   65   2HG2  VAL   7          2HG2      VAL   7  -3.602  -1.438  -1.438
   66   3HG2  VAL   7          1HG2      VAL   7  -5.296  -1.118  -1.118
   67    H    VAL   8           H        VAL   8  -3.676   1.474   1.474
   68    HA   VAL   8           HA       VAL   8  -4.923   4.063   4.063
   69    HB   VAL   8           HB       VAL   8  -3.545   2.214   2.214
   70   1HG1  VAL   8          2HG1      VAL   8  -4.794   4.903   4.903
   71   2HG1  VAL   8          1HG1      VAL   8  -4.292   3.712   3.712
   72   3HG1  VAL   8          3HG1      VAL   8  -3.089   4.487   4.487
   73   1HG2  VAL   8          3HG2      VAL   8  -5.837   1.705   1.705
   74   2HG2  VAL   8          2HG2      VAL   8  -5.799   1.915   1.915
   75   3HG2  VAL   8          1HG2      VAL   8  -6.401   3.212   3.212
   76    H    ALA   9           H        ALA   9  -1.646   3.000   3.000
   77    HA   ALA   9           HA       ALA   9  -0.426   5.472   5.472
   78   1HB   ALA   9          2HB       ALA   9   0.308   2.785   2.785
   79   2HB   ALA   9          1HB       ALA   9   1.363   3.927   3.927
   80   3HB   ALA   9          3HB       ALA   9   1.241   3.957   3.957
   81    H    LEU  10           H        LEU  10  -0.959   3.948   3.948
   82    HA   LEU  10           HA       LEU  10   0.326   5.933   5.933
   83   1HB   LEU  10          2HB       LEU  10  -2.056   4.130   4.130
   84   2HB   LEU  10          1HB       LEU  10  -1.224   5.042   5.042
   85    HG   LEU  10           HG       LEU  10  -0.117   2.821   2.821
   86   1HD1  LEU  10          2HD1      LEU  10  -0.346   3.280   3.280
   87   2HD1  LEU  10          1HD1      LEU  10   0.500   1.916   1.916
   88   3HD1  LEU  10          3HD1      LEU  10  -1.239   2.101   2.101
   89   1HD2  LEU  10          1HD2      LEU  10   1.302   4.997   4.997
   90   2HD2  LEU  10          3HD2      LEU  10   1.693   4.301   4.301
   91   3HD2  LEU  10          2HD2      LEU  10   2.025   3.391   3.391
   92    H    ILE  11           H        ILE  11  -3.024   5.756   5.756
   93    HA   ILE  11           HA       ILE  11  -4.043   8.118   8.118
   94    HB   ILE  11           HB       ILE  11  -5.714   7.966   7.966
   95   1HG1  ILE  11          2HG1      ILE  11  -5.218   6.670   6.670
   96   2HG1  ILE  11          1HG1      ILE  11  -3.547   7.070   7.070
   97   1HG2  ILE  11          1HG2      ILE  11  -4.695   5.538   5.538
   98   2HG2  ILE  11          3HG2      ILE  11  -5.141   5.219   5.219
   99   3HG2  ILE  11          2HG2      ILE  11  -6.341   5.854   5.854
  100   1HD1  ILE  11          3HD1      ILE  11  -4.919   9.446   9.446
  101   2HD1  ILE  11          2HD1      ILE  11  -5.664   8.793   8.793
  102   3HD1  ILE  11          1HD1      ILE  11  -3.922   9.073   9.073
  103    H    ASP  12           H        ASP  12  -1.957   7.674   7.674
  104    HA   ASP  12           HA       ASP  12  -1.935  10.443  10.443
  105   1HB   ASP  12          2HB       ASP  12  -0.768   7.956   7.956
  106   2HB   ASP  12          1HB       ASP  12   0.579   9.036   9.036
  107    H    VAL  13           H        VAL  13  -0.314   8.500   8.500
  108    HA   VAL  13           HA       VAL  13   1.684  10.400  10.400
  109    HB   VAL  13           HB       VAL  13   0.309   8.165   8.165
  110   1HG1  VAL  13          1HG1      VAL  13   1.776   9.873   9.873
  111   2HG1  VAL  13          3HG1      VAL  13   3.123   9.153   9.153
  112   3HG1  VAL  13          2HG1      VAL  13   2.152   8.168   8.168
  113   1HG2  VAL  13          1HG2      VAL  13   1.304   7.561   7.561
  114   2HG2  VAL  13          3HG2      VAL  13   1.992   6.699   6.699
  115   3HG2  VAL  13          2HG2      VAL  13   2.868   8.048   8.048
  116    H    PHE  14           H        PHE  14  -1.251   9.406   9.406
  117    HA   PHE  14           HA       PHE  14  -1.265  11.448  11.448
  118   1HB   PHE  14          2HB       PHE  14  -3.400   9.848   9.848
  119   2HB   PHE  14          1HB       PHE  14  -3.924  11.346  11.346
  120    HD1  PHE  14           HD1      PHE  14  -3.212  11.967  11.967
  121    HD2  PHE  14           HD2      PHE  14  -2.815   7.960   7.960
  122    HE1  PHE  14           HE1      PHE  14  -2.963  11.168  11.168
  123    HE2  PHE  14           HE2      PHE  14  -2.561   7.145   7.145
  124    HZ   PHE  14           HZ       PHE  14  -2.636   8.749   8.749
  125    H    HIS  15           H        HIS  15  -2.667  11.615  11.615
  126    HA   HIS  15           HA       HIS  15  -3.740  14.160  14.160
  127   1HB   HIS  15          2HB       HIS  15  -3.559  12.471  12.471
  128   2HB   HIS  15          1HB       HIS  15  -1.873  12.946  12.946
  129    HD1  HIS  15           HD1      HIS  15  -5.261  14.713  14.713
  130    HD2  HIS  15           HD2      HIS  15  -1.610  14.976  14.976
  131    HE1  HIS  15           HE1      HIS  15  -5.486  16.621  16.621
  132    H    GLN  16           H        GLN  16  -0.343  13.504  13.504
  133    HA   GLN  16           HA       GLN  16   0.503  16.236  16.236
  134   1HB   GLN  16          2HB       GLN  16   1.943  13.571  13.571
  135   2HB   GLN  16          1HB       GLN  16   2.760  15.123  15.123
  136   1HG   GLN  16          2HG       GLN  16   0.903  15.194  15.194
  137   2HG   GLN  16          1HG       GLN  16   1.301  13.475  13.475
  138   1HE2  GLN  16          2HE2      GLN  16   4.707  13.969  13.969
  139   2HE2  GLN  16          1HE2      GLN  16   3.678  12.919  12.919
  140    H    TYR  17           H        TYR  17   1.591  13.602  13.602
  141    HA   TYR  17           HA       TYR  17   2.630  14.904  14.904
  142   1HB   TYR  17          2HB       TYR  17   0.817  12.505  12.505
  143   2HB   TYR  17          1HB       TYR  17   1.477  12.976  12.976
  144    HD1  TYR  17           HD1      TYR  17   3.888  12.919  12.919
  145    HD2  TYR  17           HD2      TYR  17   2.262  11.707  11.707
  146    HE1  TYR  17           HE1      TYR  17   6.048  11.873  11.873
  147    HE2  TYR  17           HE2      TYR  17   4.409  10.636  10.636
  148    HH   TYR  17           HH       TYR  17   6.636  10.587  10.587
  149    H    SER  18           H        SER  18  -0.843  13.999  13.999
  150    HA   SER  18           HA       SER  18  -1.395  15.943  15.943
  151   1HB   SER  18          2HB       SER  18  -3.511  14.878  14.878
  152   2HB   SER  18          1HB       SER  18  -2.389  13.601  13.601
  153    HG   SER  18           HG       SER  18  -4.429  14.732  14.732
  154    H    GLY  19           H        GLY  19  -0.937  16.331  16.331
  155   1HA   GLY  19          2HA       GLY  19  -2.564  18.802  18.802
  156   2HA   GLY  19          1HA       GLY  19  -2.923  17.626  17.626
  157    H    ARG  20           H        ARG  20   0.201  18.701  18.701
  158    HA   ARG  20           HA       ARG  20   1.055  19.380  19.380
  159   1HB   ARG  20          2HB       ARG  20   3.305  18.757  18.757
  160   2HB   ARG  20          1HB       ARG  20   2.185  17.440  17.440
  161   1HG   ARG  20          2HG       ARG  20   1.921  18.536  18.536
  162   2HG   ARG  20          1HG       ARG  20   3.388  19.425  19.425
  163   1HD   ARG  20          2HD       ARG  20   3.274  16.417  16.417
  164   2HD   ARG  20          1HD       ARG  20   3.696  17.185  17.185
  165    HE   ARG  20           HE       ARG  20   5.220  17.549  17.549
  166   1HH1  ARG  20          2HH1      ARG  20   4.771  19.018  19.018
  167   2HH1  ARG  20          1HH1      ARG  20   6.435  18.970  18.970
  168   1HH2  ARG  20          1HH2      ARG  20   7.417  16.974  16.974
  169   2HH2  ARG  20          2HH2      ARG  20   7.933  17.813  17.813
  170    H    GLU  21           H        GLU  21   0.686  20.501  20.501
  171    HA   GLU  21           HA       GLU  21   1.739  23.174  23.174
  172   1HB   GLU  21          2HB       GLU  21   2.462  21.417  21.417
  173   2HB   GLU  21          1HB       GLU  21   2.560  23.168  23.168
  174   1HG   GLU  21          2HG       GLU  21   3.782  22.806  22.806
  175   2HG   GLU  21          1HG       GLU  21   4.269  21.346  21.346
  176    H    GLY  22           H        GLY  22  -0.242  21.287  21.287
  177   1HA   GLY  22          2HA       GLY  22  -2.365  23.255  23.255
  178   2HA   GLY  22          1HA       GLY  22  -1.483  23.282  23.282
  179    H    ASP  23           H        ASP  23  -2.847  22.255  22.255
  180    HA   ASP  23           HA       ASP  23  -4.305  20.580  20.580
  181   1HB   ASP  23          2HB       ASP  23  -1.903  19.324  19.324
  182   2HB   ASP  23          1HB       ASP  23  -3.156  18.269  18.269
  183    H    LYS  24           H        LYS  24  -4.977  18.071  18.071
  184    HA   LYS  24           HA       LYS  24  -6.053  18.507  18.507
  185   1HB   LYS  24          2HB       LYS  24  -8.247  17.489  17.489
  186   2HB   LYS  24          1HB       LYS  24  -7.937  19.224  19.224
  187   1HG   LYS  24          2HG       LYS  24  -7.101  19.180  19.180
  188   2HG   LYS  24          1HG       LYS  24  -7.015  17.420  17.420
  189   1HD   LYS  24          2HD       LYS  24  -9.108  17.355  17.355
  190   2HD   LYS  24          1HD       LYS  24  -9.685  18.094  18.094
  191   1HE   LYS  24          2HE       LYS  24  -8.484  19.806  19.806
  192   2HE   LYS  24          1HE       LYS  24 -10.196  19.341  19.341
  193   1HZ   LYS  24          1HZ       LYS  24  -8.926  20.441  20.441
  194   2HZ   LYS  24          3HZ       LYS  24  -9.648  21.444  21.444
  195   3HZ   LYS  24          2HZ       LYS  24 -10.583  20.286  20.286
  196    H    HIS  25           H        HIS  25  -7.265  16.050  16.050
  197    HA   HIS  25           HA       HIS  25  -5.642  14.015  14.015
  198   1HB   HIS  25          2HB       HIS  25  -8.441  13.774  13.774
  199   2HB   HIS  25          1HB       HIS  25  -7.630  12.631  12.631
  200    HD1  HIS  25           HD1      HIS  25 -10.331  14.267  14.267
  201    HD2  HIS  25           HD2      HIS  25  -6.509  15.100  15.100
  202    HE1  HIS  25           HE1      HIS  25 -10.645  15.587  15.587
  203    H    LYS  26           H        LYS  26  -4.397  14.897  14.897
  204    HA   LYS  26           HA       LYS  26  -4.580  12.637  12.637
  205   1HB   LYS  26          2HB       LYS  26  -5.154  15.524  15.524
  206   2HB   LYS  26          1HB       LYS  26  -4.406  14.520  14.520
  207   1HG   LYS  26          2HG       LYS  26  -6.455  13.740  13.740
  208   2HG   LYS  26          1HG       LYS  26  -6.476  12.948  12.948
  209   1HD   LYS  26          2HD       LYS  26  -7.038  15.722  15.722
  210   2HD   LYS  26          1HD       LYS  26  -8.091  15.113  15.113
  211   1HE   LYS  26          2HE       LYS  26  -8.281  13.068  13.068
  212   2HE   LYS  26          1HE       LYS  26  -8.054  14.441  14.441
  213   1HZ   LYS  26          2HZ       LYS  26  -9.899  14.620  14.620
  214   2HZ   LYS  26          1HZ       LYS  26 -10.418  13.958  13.958
  215   3HZ   LYS  26          3HZ       LYS  26  -9.870  15.561  15.561
  216    H    LEU  27           H        LEU  27  -2.479  11.984  11.984
  217    HA   LEU  27           HA       LEU  27  -0.276  13.738  13.738
  218   1HB   LEU  27          2HB       LEU  27  -0.847  10.902  10.902
  219   2HB   LEU  27          1HB       LEU  27   0.753  11.352  11.352
  220    HG   LEU  27           HG       LEU  27   0.702  10.693  10.693
  221   1HD1  LEU  27          2HD1      LEU  27   2.323  12.375  12.375
  222   2HD1  LEU  27          1HD1      LEU  27   1.404  13.601  13.601
  223   3HD1  LEU  27          3HD1      LEU  27   2.248  12.329  12.329
  224   1HD2  LEU  27          1HD2      LEU  27  -1.500  12.511  12.511
  225   2HD2  LEU  27          3HD2      LEU  27  -0.901  11.531  11.531
  226   3HD2  LEU  27          2HD2      LEU  27  -0.259  13.151  13.151
  227    H    LYS  28           H        LYS  28   1.739  13.727  13.727
  228    HA   LYS  28           HA       LYS  28   1.142  13.601  13.601
  229   1HB   LYS  28          2HB       LYS  28   0.510  15.867  15.867
  230   2HB   LYS  28          1HB       LYS  28   2.243  16.109  16.109
  231   1HG   LYS  28          2HG       LYS  28   2.573  15.719  15.719
  232   2HG   LYS  28          1HG       LYS  28   0.822  15.617  15.617
  233   1HD   LYS  28          2HD       LYS  28   0.892  17.858  17.858
  234   2HD   LYS  28          1HD       LYS  28   1.144  17.967  17.967
  235   1HE   LYS  28          2HE       LYS  28   3.231  18.777  18.777
  236   2HE   LYS  28          1HE       LYS  28   3.653  17.353  17.353
  237   1HZ   LYS  28          1HZ       LYS  28   2.127  18.508  18.508
  238   2HZ   LYS  28          3HZ       LYS  28   2.499  19.914  19.914
  239   3HZ   LYS  28          2HZ       LYS  28   3.744  19.002  19.002
  240    H    LYS  29           H        LYS  29   3.150  13.733  13.733
  241    HA   LYS  29           HA       LYS  29   5.298  12.202  12.202
  242   1HB   LYS  29          2HB       LYS  29   5.297  14.759  14.759
  243   2HB   LYS  29          1HB       LYS  29   6.572  13.541  13.541
  244   1HG   LYS  29          2HG       LYS  29   5.268  12.018  12.018
  245   2HG   LYS  29          1HG       LYS  29   3.772  12.598  12.598
  246   1HD   LYS  29          2HD       LYS  29   3.369  13.824  13.824
  247   2HD   LYS  29          1HD       LYS  29   4.843  14.743  14.743
  248   1HE   LYS  29          2HE       LYS  29   5.950  13.692  13.692
  249   2HE   LYS  29          1HE       LYS  29   5.384  12.096  12.096
  250   1HZ   LYS  29          1HZ       LYS  29   3.108  12.988  12.988
  251   2HZ   LYS  29          3HZ       LYS  29   4.055  14.038  14.038
  252   3HZ   LYS  29          2HZ       LYS  29   4.219  12.358  12.358
  253    H    SER  30           H        SER  30   4.970  15.710  15.710
  254    HA   SER  30           HA       SER  30   7.505  16.132  16.132
  255   1HB   SER  30          2HB       SER  30   4.828  17.415  17.415
  256   2HB   SER  30          1HB       SER  30   6.416  18.132  18.132
  257    HG   SER  30           HG       SER  30   5.523  18.864  18.864
  258    H    GLU  31           H        GLU  31   4.329  15.551  15.551
  259    HA   GLU  31           HA       GLU  31   5.443  15.190  15.190
  260   1HB   GLU  31          2HB       GLU  31   2.871  14.103  14.103
  261   2HB   GLU  31          1HB       GLU  31   3.195  14.357  14.357
  262   1HG   GLU  31          2HG       GLU  31   2.678  16.545  16.545
  263   2HG   GLU  31          1HG       GLU  31   3.736  16.769  16.769
  264    H    LEU  32           H        LEU  32   4.662  12.943  12.943
  265    HA   LEU  32           HA       LEU  32   5.106  10.483  10.483
  266   1HB   LEU  32          2HB       LEU  32   4.917  11.543  11.543
  267   2HB   LEU  32          1HB       LEU  32   6.137  10.272  10.272
  268    HG   LEU  32           HG       LEU  32   3.842   9.397   9.397
  269   1HD1  LEU  32          2HD1      LEU  32   5.740   8.472   8.472
  270   2HD1  LEU  32          1HD1      LEU  32   4.155   8.183   8.183
  271   3HD1  LEU  32          3HD1      LEU  32   4.543   7.513   7.513
  272   1HD2  LEU  32          1HD2      LEU  32   2.873  11.223  11.223
  273   2HD2  LEU  32          3HD2      LEU  32   2.064   9.664   9.664
  274   3HD2  LEU  32          2HD2      LEU  32   3.124   9.968   9.968
  275    H    LYS  33           H        LYS  33   7.410  12.578  12.578
  276    HA   LYS  33           HA       LYS  33   9.787  11.135  11.135
  277   1HB   LYS  33          2HB       LYS  33   8.923  13.788  13.788
  278   2HB   LYS  33          1HB       LYS  33  10.251  13.921  13.921
  279   1HG   LYS  33          2HG       LYS  33  10.452  12.060  12.060
  280   2HG   LYS  33          1HG       LYS  33  10.835  13.774  13.774
  281   1HD   LYS  33          2HD       LYS  33  12.178  13.093  13.093
  282   2HD   LYS  33          1HD       LYS  33  12.362  11.644  11.644
  283   1HE   LYS  33          2HE       LYS  33  13.263  12.976  12.976
  284   2HE   LYS  33          1HE       LYS  33  13.012  14.467  14.467
  285   1HZ   LYS  33          1HZ       LYS  33  14.669  12.161  12.161
  286   2HZ   LYS  33          3HZ       LYS  33  15.284  13.611  13.611
  287   3HZ   LYS  33          2HZ       LYS  33  14.446  13.615  13.615
  288    H    GLU  34           H        GLU  34   8.651  13.746  13.746
  289    HA   GLU  34           HA       GLU  34  10.453  13.255  13.255
  290   1HB   GLU  34          2HB       GLU  34   8.308  14.915  14.915
  291   2HB   GLU  34          1HB       GLU  34   7.687  13.936  13.936
  292   1HG   GLU  34          2HG       GLU  34   8.856  15.228  15.228
  293   2HG   GLU  34          1HG       GLU  34  10.342  14.616  14.616
  294    H    LEU  35           H        LEU  35   7.364  11.742  11.742
  295    HA   LEU  35           HA       LEU  35   6.988  10.190  10.190
  296   1HB   LEU  35          2HB       LEU  35   5.623  10.697  10.697
  297   2HB   LEU  35          1HB       LEU  35   6.222   9.080   9.080
  298    HG   LEU  35           HG       LEU  35   5.145   9.405   9.405
  299   1HD1  LEU  35          2HD1      LEU  35   3.655  10.542  10.542
  300   2HD1  LEU  35          1HD1      LEU  35   2.941   8.947   8.947
  301   3HD1  LEU  35          3HD1      LEU  35   3.049  10.080  10.080
  302   1HD2  LEU  35          2HD2      LEU  35   5.924   7.318   7.318
  303   2HD2  LEU  35          1HD2      LEU  35   4.648   7.173   7.173
  304   3HD2  LEU  35          3HD2      LEU  35   4.228   7.359   7.359
  305    H    ILE  36           H        ILE  36   9.084   9.719   9.719
  306    HA   ILE  36           HA       ILE  36   9.687   6.937   6.937
  307    HB   ILE  36           HB       ILE  36  10.547   8.889   8.889
  308   1HG1  ILE  36          2HG1      ILE  36   9.657   6.453   6.453
  309   2HG1  ILE  36          1HG1      ILE  36   8.583   6.766   6.766
  310   1HG2  ILE  36          1HG2      ILE  36  11.603   6.095   6.095
  311   2HG2  ILE  36          3HG2      ILE  36  11.876   7.011   7.011
  312   3HG2  ILE  36          2HG2      ILE  36  12.532   7.594   7.594
  313   1HD1  ILE  36          2HD1      ILE  36   9.017   9.228   9.228
  314   2HD1  ILE  36          1HD1      ILE  36   8.535   7.991   7.991
  315   3HD1  ILE  36          3HD1      ILE  36   7.507   8.347   8.347
  316    H    ASN  37           H        ASN  37  11.424  10.066  10.066
  317    HA   ASN  37           HA       ASN  37  13.889   9.098   9.098
  318   1HB   ASN  37          2HB       ASN  37  12.848  11.913  11.913
  319   2HB   ASN  37          1HB       ASN  37  14.517  11.366  11.366
  320   1HD2  ASN  37          2HD2      ASN  37  13.729  10.146  10.146
  321   2HD2  ASN  37          1HD2      ASN  37  14.232   9.396   9.396
  322    H    ASN  38           H        ASN  38  10.912  10.341  10.341
  323    HA   ASN  38           HA       ASN  38  12.049  10.859  10.859
  324   1HB   ASN  38          2HB       ASN  38   9.278  10.571  10.571
  325   2HB   ASN  38          1HB       ASN  38   9.528  10.862  10.862
  326   1HD2  ASN  38          2HD2      ASN  38   9.257  14.261  14.261
  327   2HD2  ASN  38          1HD2      ASN  38   8.274  12.962  12.962
  328    H    GLU  39           H        GLU  39  11.213   8.059   8.059
  329    HA   GLU  39           HA       GLU  39  11.002   6.456   6.456
  330   1HB   GLU  39          2HB       GLU  39   9.497   5.012   5.012
  331   2HB   GLU  39          1HB       GLU  39   8.941   6.678   6.678
  332   1HG   GLU  39          2HG       GLU  39  10.105   6.879   6.879
  333   2HG   GLU  39          1HG       GLU  39  10.592   5.189   5.189
  334    H    LEU  40           H        LEU  40  12.110   6.403   6.403
  335    HA   LEU  40           HA       LEU  40  13.988   4.194   4.194
  336   1HB   LEU  40          2HB       LEU  40  12.864   5.138   5.138
  337   2HB   LEU  40          1HB       LEU  40  13.987   3.789   3.789
  338    HG   LEU  40           HG       LEU  40  11.636   3.671   3.671
  339   1HD1  LEU  40          2HD1      LEU  40  10.898   4.616   4.616
  340   2HD1  LEU  40          1HD1      LEU  40  11.166   2.958   2.958
  341   3HD1  LEU  40          3HD1      LEU  40   9.988   3.298   3.298
  342   1HD2  LEU  40          3HD2      LEU  40  13.585   1.959   1.959
  343   2HD2  LEU  40          2HD2      LEU  40  11.985   1.412   1.412
  344   3HD2  LEU  40          1HD2      LEU  40  12.376   1.537   1.537
  345    H    SER  41           H        SER  41  15.234   6.192   6.192
  346    HA   SER  41           HA       SER  41  16.472   8.192   8.192
  347   1HB   SER  41          2HB       SER  41  16.661   8.038   8.038
  348   2HB   SER  41          1HB       SER  41  17.476   6.481   6.481
  349    HG   SER  41           HG       SER  41  18.654   8.729   8.729
  350    H    HIS  42           H        HIS  42  17.393   4.769   4.769
  351    HA   HIS  42           HA       HIS  42  19.882   4.754   4.754
  352   1HB   HIS  42          2HB       HIS  42  17.613   2.742   2.742
  353   2HB   HIS  42          1HB       HIS  42  19.326   2.403   2.403
  354    HD1  HIS  42           HD1      HIS  42  17.162   1.470   1.470
  355    HD2  HIS  42           HD2      HIS  42  20.518   3.922   3.922
  356    HE1  HIS  42           HE1      HIS  42  17.877   1.414   1.414
  357    H    PHE  43           H        PHE  43  16.609   4.930   4.930
  358    HA   PHE  43           HA       PHE  43  17.439   4.616   4.616
  359   1HB   PHE  43          2HB       PHE  43  14.967   5.276   5.276
  360   2HB   PHE  43          1HB       PHE  43  14.990   5.661   5.661
  361    HD1  PHE  43           HD2      PHE  43  17.181   2.976   2.976
  362    HD2  PHE  43           HD1      PHE  43  12.993   3.837   3.837
  363    HE1  PHE  43           HE2      PHE  43  16.626   0.634   0.634
  364    HE2  PHE  43           HE1      PHE  43  12.454   1.485   1.485
  365    HZ   PHE  43           HZ       PHE  43  14.266  -0.114  -0.114
  366    H    LEU  44           H        LEU  44  17.612   7.197   7.197
  367    HA   LEU  44           HA       LEU  44  17.109   9.483   9.483
  368   1HB   LEU  44          2HB       LEU  44  17.924   9.085   9.085
  369   2HB   LEU  44          1HB       LEU  44  19.531   9.260   9.260
  370    HG   LEU  44           HG       LEU  44  18.920  11.444  11.444
  371   1HD1  LEU  44          1HD1      LEU  44  16.272  10.430  10.430
  372   2HD1  LEU  44          3HD1      LEU  44  16.475  11.983  11.983
  373   3HD1  LEU  44          2HD1      LEU  44  16.750  11.855  11.855
  374   1HD2  LEU  44          1HD2      LEU  44  19.289  10.838  10.838
  375   2HD2  LEU  44          3HD2      LEU  44  19.366  12.453  12.453
  376   3HD2  LEU  44          2HD2      LEU  44  17.862  11.875  11.875
  377    H    GLU  45           H        GLU  45  19.744   7.201   7.201
  378    HA   GLU  45           HA       GLU  45  21.356   8.649   8.649
  379   1HB   GLU  45          2HB       GLU  45  21.866   7.045   7.045
  380   2HB   GLU  45          1HB       GLU  45  21.985   5.880   5.880
  381   1HG   GLU  45          2HG       GLU  45  23.567   7.427   7.427
  382   2HG   GLU  45          1HG       GLU  45  23.516   8.486   8.486
  383    H    GLU  46           H        GLU  46  19.003   6.118   6.118
  384    HA   GLU  46           HA       GLU  46  17.976   4.733   4.733
  385   1HB   GLU  46          2HB       GLU  46  18.241   7.276   7.276
  386   2HB   GLU  46          1HB       GLU  46  19.076   6.390   6.390
  387   1HG   GLU  46          2HG       GLU  46  17.077   5.824   5.824
  388   2HG   GLU  46          1HG       GLU  46  16.741   4.908   4.908
  389    H    ILE  47           H        ILE  47  20.898   4.271   4.271
  390    HA   ILE  47           HA       ILE  47  21.870   3.019   3.019
  391    HB   ILE  47           HB       ILE  47  23.352   4.609   4.609
  392   1HG1  ILE  47          2HG1      ILE  47  25.288   3.206   3.206
  393   2HG1  ILE  47          1HG1      ILE  47  24.299   1.801   1.801
  394   1HG2  ILE  47          2HG2      ILE  47  22.217   3.399   3.399
  395   2HG2  ILE  47          1HG2      ILE  47  23.956   3.118   3.118
  396   3HG2  ILE  47          3HG2      ILE  47  23.333   4.763   4.763
  397   1HD1  ILE  47          2HD1      ILE  47  23.792   3.204   3.204
  398   2HD1  ILE  47          1HD1      ILE  47  25.205   2.157   2.157
  399   3HD1  ILE  47          3HD1      ILE  47  23.593   1.499   1.499
  400    H    LYS  48           H        LYS  48  20.769   2.355   2.355
  401    HA   LYS  48           HA       LYS  48  21.758  -0.358  -0.358
  402   1HB   LYS  48          2HB       LYS  48  19.858   1.476   1.476
  403   2HB   LYS  48          1HB       LYS  48  19.609  -0.249  -0.249
  404   1HG   LYS  48          2HG       LYS  48  21.117   0.482   0.482
  405   2HG   LYS  48          1HG       LYS  48  22.088  -0.409  -0.409
  406   1HD   LYS  48          2HD       LYS  48  23.355   1.540   1.540
  407   2HD   LYS  48          1HD       LYS  48  22.461   1.911   1.911
  408   1HE   LYS  48          2HE       LYS  48  21.980   3.835   3.835
  409   2HE   LYS  48          1HE       LYS  48  20.665   2.802   2.802
  410   1HZ   LYS  48          1HZ       LYS  48  22.556   1.976   1.976
  411   2HZ   LYS  48          3HZ       LYS  48  23.198   3.517   3.517
  412   3HZ   LYS  48          2HZ       LYS  48  21.647   3.362   3.362
  413    H    GLU  49           H        GLU  49  19.436   1.083   1.083
  414    HA   GLU  49           HA       GLU  49  18.065  -1.553  -1.553
  415   1HB   GLU  49          2HB       GLU  49  16.115   0.109   0.109
  416   2HB   GLU  49          1HB       GLU  49  16.429  -0.251  -0.251
  417   1HG   GLU  49          2HG       GLU  49  17.565   1.805   1.805
  418   2HG   GLU  49          1HG       GLU  49  17.747   2.085   2.085
  419    H    GLN  50           H        GLN  50  19.782  -1.750  -1.750
  420    HA   GLN  50           HA       GLN  50  20.026   0.084   0.084
  421   1HB   GLN  50          2HB       GLN  50  20.599  -2.795  -2.795
  422   2HB   GLN  50          1HB       GLN  50  20.693  -2.257  -2.257
  423   1HG   GLN  50          2HG       GLN  50  22.817  -1.658  -1.658
  424   2HG   GLN  50          1HG       GLN  50  22.028  -0.240  -0.240
  425   1HE2  GLN  50          2HE2      GLN  50  22.940  -3.260  -3.260
  426   2HE2  GLN  50          1HE2      GLN  50  22.356  -3.666  -3.666
  427    H    GLU  51           H        GLU  51  18.914  -3.090  -3.090
  428    HA   GLU  51           HA       GLU  51  17.174  -2.293  -2.293
  429   1HB   GLU  51          2HB       GLU  51  17.952  -4.604  -4.604
  430   2HB   GLU  51          1HB       GLU  51  16.867  -4.647  -4.647
  431   1HG   GLU  51          2HG       GLU  51  14.980  -4.090  -4.090
  432   2HG   GLU  51          1HG       GLU  51  16.129  -4.472  -4.472
  433    H    VAL  52           H        VAL  52  16.657  -2.215  -2.215
  434    HA   VAL  52           HA       VAL  52  13.756  -1.964  -1.964
  435    HB   VAL  52           HB       VAL  52  15.924  -1.525  -1.525
  436   1HG1  VAL  52          1HG1      VAL  52  12.955  -0.989  -0.989
  437   2HG1  VAL  52          3HG1      VAL  52  13.950  -1.289  -1.289
  438   3HG1  VAL  52          2HG1      VAL  52  14.276   0.107   0.107
  439   1HG2  VAL  52          1HG2      VAL  52  14.463  -3.760  -3.760
  440   2HG2  VAL  52          3HG2      VAL  52  15.506  -3.685  -3.685
  441   3HG2  VAL  52          2HG2      VAL  52  13.780  -3.358  -3.358
  442    H    VAL  53           H        VAL  53  16.518   0.271   0.271
  443    HA   VAL  53           HA       VAL  53  15.167   2.715   2.715
  444    HB   VAL  53           HB       VAL  53  17.718   1.749   1.749
  445   1HG1  VAL  53          3HG1      VAL  53  16.392   4.333   4.333
  446   2HG1  VAL  53          2HG1      VAL  53  18.136   4.332   4.332
  447   3HG1  VAL  53          1HG1      VAL  53  17.431   3.291   3.291
  448   1HG2  VAL  53          1HG2      VAL  53  16.833   2.982   2.982
  449   2HG2  VAL  53          3HG2      VAL  53  18.484   2.538   2.538
  450   3HG2  VAL  53          2HG2      VAL  53  17.876   4.147   4.147
  451    H    ASP  54           H        ASP  54  15.642   0.654   0.654
  452    HA   ASP  54           HA       ASP  54  14.500   2.439   2.439
  453   1HB   ASP  54          2HB       ASP  54  15.777   0.666   0.666
  454   2HB   ASP  54          1HB       ASP  54  15.112  -0.491  -0.491
  455    H    LYS  55           H        LYS  55  13.245  -0.178  -0.178
  456    HA   LYS  55           HA       LYS  55  10.496   0.032   0.032
  457   1HB   LYS  55          2HB       LYS  55  12.067  -1.238  -1.238
  458   2HB   LYS  55          1HB       LYS  55  10.309  -1.180  -1.180
  459   1HG   LYS  55          2HG       LYS  55  10.733  -3.224  -3.224
  460   2HG   LYS  55          1HG       LYS  55  10.269  -2.117  -2.117
  461   1HD   LYS  55          2HD       LYS  55  12.768  -1.643  -1.643
  462   2HD   LYS  55          1HD       LYS  55  13.042  -3.053  -3.053
  463   1HE   LYS  55          2HE       LYS  55  13.094  -3.775  -3.775
  464   2HE   LYS  55          1HE       LYS  55  11.595  -4.385  -4.385
  465   1HZ   LYS  55          1HZ       LYS  55  11.038  -1.809  -1.809
  466   2HZ   LYS  55          3HZ       LYS  55  11.911  -2.490  -2.490
  467   3HZ   LYS  55          2HZ       LYS  55  10.495  -3.245  -3.245
  468    H    VAL  56           H        VAL  56  11.864   0.803   0.803
  469    HA   VAL  56           HA       VAL  56   9.847   2.306   2.306
  470    HB   VAL  56           HB       VAL  56  12.851   2.662   2.662
  471   1HG1  VAL  56          1HG1      VAL  56  10.845   4.522   4.522
  472   2HG1  VAL  56          3HG1      VAL  56  11.840   3.913   3.913
  473   3HG1  VAL  56          2HG1      VAL  56  12.599   4.704   4.704
  474   1HG2  VAL  56          3HG2      VAL  56  10.814   1.427   1.427
  475   2HG2  VAL  56          2HG2      VAL  56  12.232   0.678   0.678
  476   3HG2  VAL  56          1HG2      VAL  56  12.426   1.856   1.856
  477    H    MET  57           H        MET  57  11.955   3.252   3.252
  478    HA   MET  57           HA       MET  57  11.116   6.065   6.065
  479   1HB   MET  57          2HB       MET  57  12.818   4.257   4.257
  480   2HB   MET  57          1HB       MET  57  12.413   5.881   5.881
  481   1HG   MET  57          2HG       MET  57  13.451   5.533   5.533
  482   2HG   MET  57          1HG       MET  57  14.592   5.471   5.471
  483   1HE   MET  57          2HE       MET  57  13.121   7.065   7.065
  484   2HE   MET  57          1HE       MET  57  13.615   8.748   8.748
  485   3HE   MET  57          3HE       MET  57  11.980   8.257   8.257
  486    H    GLU  58           H        GLU  58  10.447   3.168   3.168
  487    HA   GLU  58           HA       GLU  58   8.887   4.338   4.338
  488   1HB   GLU  58          2HB       GLU  58   8.302   2.142   2.142
  489   2HB   GLU  58          1HB       GLU  58   9.649   1.851   1.851
  490   1HG   GLU  58          2HG       GLU  58   8.145   1.499   1.499
  491   2HG   GLU  58          1HG       GLU  58   6.758   2.016   2.016
  492    H    THR  59           H        THR  59   7.801   3.192   3.192
  493    HA   THR  59           HA       THR  59   5.065   4.060   4.060
  494    HB   THR  59           HB       THR  59   6.611   3.748   3.748
  495    HG1  THR  59           HG1      THR  59   6.906   1.738   1.738
  496   1HG2  THR  59          3HG2      THR  59   4.137   4.469   4.469
  497   2HG2  THR  59          2HG2      THR  59   3.817   2.821   2.821
  498   3HG2  THR  59          1HG2      THR  59   4.530   3.107   3.107
  499    H    LEU  60           H        LEU  60   7.762   5.436   5.436
  500    HA   LEU  60           HA       LEU  60   6.629   7.792   7.792
  501   1HB   LEU  60          2HB       LEU  60   9.084   6.730   6.730
  502   2HB   LEU  60          1HB       LEU  60   9.312   7.925   7.925
  503    HG   LEU  60           HG       LEU  60   9.924   9.115   9.115
  504   1HD1  LEU  60          3HD1      LEU  60   8.157  10.307  10.307
  505   2HD1  LEU  60          2HD1      LEU  60   6.939   9.627   9.627
  506   3HD1  LEU  60          1HD1      LEU  60   8.149  10.746  10.746
  507   1HD2  LEU  60          2HD2      LEU  60   9.182   7.337   7.337
  508   2HD2  LEU  60          1HD2      LEU  60   8.745   8.952   8.952
  509   3HD2  LEU  60          3HD2      LEU  60   7.521   7.911   7.911
  510    H    ASP  61           H        ASP  61   7.606   7.017   7.017
  511    HA   ASP  61           HA       ASP  61   7.206   9.747   9.747
  512   1HB   ASP  61          2HB       ASP  61   8.396   7.278   7.278
  513   2HB   ASP  61          1HB       ASP  61   7.204   7.721   7.721
  514    H    SER  62           H        SER  62   5.474   6.640   6.640
  515    HA   SER  62           HA       SER  62   3.160   7.871   7.871
  516   1HB   SER  62          2HB       SER  62   2.371   5.380   5.380
  517   2HB   SER  62          1HB       SER  62   3.543   5.712   5.712
  518    HG   SER  62           HG       SER  62   3.983   4.036   4.036
  519    H    ASP  63           H        ASP  63   3.375   5.707   5.707
  520    HA   ASP  63           HA       ASP  63   1.766   5.609   5.609
  521   1HB   ASP  63          2HB       ASP  63   4.029   6.600   6.600
  522   2HB   ASP  63          1HB       ASP  63   3.288   8.192   8.192
  523    H    GLY  64           H        GLY  64  -0.455   6.115   6.115
  524   1HA   GLY  64          2HA       GLY  64  -2.395   7.441   7.441
  525   2HA   GLY  64          1HA       GLY  64  -1.449   8.658   8.658
  526    H    ASP  65           H        ASP  65   0.355   9.598   9.598
  527    HA   ASP  65           HA       ASP  65   0.881  10.714  10.714
  528   1HB   ASP  65          2HB       ASP  65  -0.277   8.606   8.606
  529   2HB   ASP  65          1HB       ASP  65  -1.697   9.635   9.635
  530    H    GLY  66           H        GLY  66   0.646  12.811  12.811
  531   1HA   GLY  66          2HA       GLY  66  -0.409  14.946  14.946
  532   2HA   GLY  66          1HA       GLY  66  -1.938  14.131  14.131
  533    H    GLU  67           H        GLU  67  -2.154  12.404  12.404
  534    HA   GLU  67           HA       GLU  67  -1.816  13.989  13.989
  535   1HB   GLU  67          2HB       GLU  67  -3.951  14.629  14.629
  536   2HB   GLU  67          1HB       GLU  67  -4.530  13.004  13.004
  537   1HG   GLU  67          2HG       GLU  67  -5.366  14.389  14.389
  538   2HG   GLU  67          1HG       GLU  67  -3.999  13.517  13.517
  539    H    CYS  68           H        CYS  68  -0.936  12.450  12.450
  540    HA   CYS  68           HA       CYS  68  -1.716   9.597   9.597
  541   1HB   CYS  68          2HB       CYS  68   0.317  11.016  11.016
  542   2HB   CYS  68          1HB       CYS  68   0.179   9.269   9.269
  543    HG   CYS  68           HG       CYS  68   0.510  10.396  10.396
  544    H    ASP  69           H        ASP  69  -3.795   9.491   9.491
  545    HA   ASP  69           HA       ASP  69  -4.319  10.744  10.744
  546   1HB   ASP  69          2HB       ASP  69  -5.848   9.227   9.227
  547   2HB   ASP  69          1HB       ASP  69  -6.558   9.525   9.525
  548    H    PHE  70           H        PHE  70  -5.733   9.318   9.318
  549    HA   PHE  70           HA       PHE  70  -4.606   7.814   7.814
  550   1HB   PHE  70          2HB       PHE  70  -7.135   7.374   7.374
  551   2HB   PHE  70          1HB       PHE  70  -6.729   6.332   6.332
  552    HD1  PHE  70           HD2      PHE  70  -5.320   9.652   9.652
  553    HD2  PHE  70           HD1      PHE  70  -8.804   7.347   7.347
  554    HE1  PHE  70           HE2      PHE  70  -6.041  11.430  11.430
  555    HE2  PHE  70           HE1      PHE  70  -9.520   9.141   9.141
  556    HZ   PHE  70           HZ       PHE  70  -8.120  11.187  11.187
  557    H    GLN  71           H        GLN  71  -6.165   5.646   5.646
  558    HA   GLN  71           HA       GLN  71  -4.480   3.449   3.449
  559   1HB   GLN  71          2HB       GLN  71  -5.572   2.453   2.453
  560   2HB   GLN  71          1HB       GLN  71  -6.737   3.556   3.556
  561   1HG   GLN  71          2HG       GLN  71  -4.933   4.473   4.473
  562   2HG   GLN  71          1HG       GLN  71  -6.449   3.641   3.641
  563   1HE2  GLN  71          1HE2      GLN  71  -6.053   6.376   6.376
  564   2HE2  GLN  71          2HE2      GLN  71  -7.092   7.342   7.342
  565    H    GLU  72           H        GLU  72  -3.761   6.255   6.255
  566    HA   GLU  72           HA       GLU  72  -1.790   5.003   5.003
  567   1HB   GLU  72          2HB       GLU  72  -1.981   7.925   7.925
  568   2HB   GLU  72          1HB       GLU  72  -1.513   7.211   7.211
  569   1HG   GLU  72          2HG       GLU  72  -4.040   6.170   6.170
  570   2HG   GLU  72          1HG       GLU  72  -4.185   7.827   7.827
  571    H    PHE  73           H        PHE  73  -1.595   7.022   7.022
  572    HA   PHE  73           HA       PHE  73   1.242   7.043   7.043
  573   1HB   PHE  73          2HB       PHE  73   0.287   8.457   8.457
  574   2HB   PHE  73          1HB       PHE  73  -1.043   7.350   7.350
  575    HD1  PHE  73           HD1      PHE  73   2.602   6.517   6.517
  576    HD2  PHE  73           HD2      PHE  73  -0.925   7.236   7.236
  577    HE1  PHE  73           HE1      PHE  73   3.740   5.634   5.634
  578    HE2  PHE  73           HE2      PHE  73   0.213   6.350   6.350
  579    HZ   PHE  73           HZ       PHE  73   2.545   5.542   5.542
  580    H    MET  74           H        MET  74  -1.096   4.781   4.781
  581    HA   MET  74           HA       MET  74   0.836   2.922   2.922
  582   1HB   MET  74          2HB       MET  74  -2.055   2.640   2.640
  583   2HB   MET  74          1HB       MET  74  -1.184   1.443   1.443
  584   1HG   MET  74          2HG       MET  74  -0.672   3.706   3.706
  585   2HG   MET  74          1HG       MET  74  -2.283   4.064   4.064
  586   1HE   MET  74          3HE       MET  74  -0.006   1.473   1.473
  587   2HE   MET  74          2HE       MET  74  -0.990   0.390   0.390
  588   3HE   MET  74          1HE       MET  74  -1.051   0.275   0.275
  589    H    ALA  75           H        ALA  75  -0.642   3.369   3.369
  590    HA   ALA  75           HA       ALA  75  -0.121   0.816   0.816
  591   1HB   ALA  75          1HB       ALA  75  -0.627   3.622   3.622
  592   2HB   ALA  75          3HB       ALA  75   0.017   2.527   2.527
  593   3HB   ALA  75          2HB       ALA  75  -1.507   2.150   2.150
  594    H    PHE  76           H        PHE  76   1.704   3.823   3.823
  595    HA   PHE  76           HA       PHE  76   3.968   2.465   2.465
  596   1HB   PHE  76          2HB       PHE  76   3.642   4.661   4.661
  597   2HB   PHE  76          1HB       PHE  76   3.206   5.227   5.227
  598    HD1  PHE  76           HD2      PHE  76   5.017   5.389   5.389
  599    HD2  PHE  76           HD1      PHE  76   5.881   4.805   4.805
  600    HE1  PHE  76           HE2      PHE  76   7.335   6.162   6.162
  601    HE2  PHE  76           HE1      PHE  76   8.209   5.585   5.585
  602    HZ   PHE  76           HZ       PHE  76   8.939   6.262   6.262
  603    H    VAL  77           H        VAL  77   3.429   4.051   4.051
  604    HA   VAL  77           HA       VAL  77   5.971   3.565   3.565
  605    HB   VAL  77           HB       VAL  77   3.760   4.674   4.674
  606   1HG1  VAL  77          2HG1      VAL  77   2.536   2.463   2.463
  607   2HG1  VAL  77          1HG1      VAL  77   3.610   1.938   1.938
  608   3HG1  VAL  77          3HG1      VAL  77   2.520   3.298   3.298
  609   1HG2  VAL  77          2HG2      VAL  77   6.077   3.418   3.418
  610   2HG2  VAL  77          1HG2      VAL  77   5.506   5.087   5.087
  611   3HG2  VAL  77          3HG2      VAL  77   4.730   3.857   3.857
  612    H    ALA  78           H        ALA  78   3.236   1.398   1.398
  613    HA   ALA  78           HA       ALA  78   4.378  -0.909  -0.909
  614   1HB   ALA  78          3HB       ALA  78   2.296  -0.582  -0.582
  615   2HB   ALA  78          2HB       ALA  78   2.580  -2.077  -2.077
  616   3HB   ALA  78          1HB       ALA  78   1.977  -0.649  -0.649
  617    H    MET  79           H        MET  79   4.464   0.408   0.408
  618    HA   MET  79           HA       MET  79   5.753  -1.844  -1.844
  619   1HB   MET  79          2HB       MET  79   4.764   0.734   0.734
  620   2HB   MET  79          1HB       MET  79   6.465   0.740   0.740
  621   1HG   MET  79          2HG       MET  79   5.508  -0.151  -0.151
  622   2HG   MET  79          1HG       MET  79   5.855  -1.629  -1.629
  623   1HE   MET  79          3HE       MET  79   3.276   1.164   1.164
  624   2HE   MET  79          2HE       MET  79   3.385   0.096   0.096
  625   3HE   MET  79          1HE       MET  79   1.878   0.196   0.196
  626    H    ILE  80           H        ILE  80   6.980   1.164   1.164
  627    HA   ILE  80           HA       ILE  80   9.792   0.544   0.544
  628    HB   ILE  80           HB       ILE  80   8.615   2.217   2.217
  629   1HG1  ILE  80          2HG1      ILE  80   7.331   2.929   2.929
  630   2HG1  ILE  80          1HG1      ILE  80   8.654   4.077   4.077
  631   1HG2  ILE  80          2HG2      ILE  80  11.186   2.003   2.003
  632   2HG2  ILE  80          1HG2      ILE  80  10.644   3.642   3.642
  633   3HG2  ILE  80          3HG2      ILE  80  10.875   2.481   2.481
  634   1HD1  ILE  80          1HD1      ILE  80   8.748   1.642   1.642
  635   2HD1  ILE  80          3HD1      ILE  80   8.199   3.226   3.226
  636   3HD1  ILE  80          2HD1      ILE  80   9.856   3.013   3.013
  637    H    THR  81           H        THR  81   7.747   0.576   0.576
  638    HA   THR  81           HA       THR  81   9.338  -0.490  -0.490
  639    HB   THR  81           HB       THR  81   6.488  -1.169  -1.169
  640    HG1  THR  81           HG1      THR  81   6.564   0.911   0.911
  641   1HG2  THR  81          2HG2      THR  81   8.189  -2.312  -2.312
  642   2HG2  THR  81          1HG2      THR  81   6.841  -1.443  -1.443
  643   3HG2  THR  81          3HG2      THR  81   6.525  -2.729  -2.729
  644    H    THR  82           H        THR  82   7.987  -2.225  -2.225
  645    HA   THR  82           HA       THR  82   8.910  -4.827  -4.827
  646    HB   THR  82           HB       THR  82   8.163  -5.310  -5.310
  647    HG1  THR  82           HG1      THR  82   7.329  -3.624  -3.624
  648   1HG2  THR  82          2HG2      THR  82   6.515  -4.706  -4.706
  649   2HG2  THR  82          1HG2      THR  82   5.750  -5.247  -5.247
  650   3HG2  THR  82          3HG2      THR  82   6.934  -6.272  -6.272
  651    H    ALA  83           H        ALA  83  10.028  -2.321  -2.321
  652    HA   ALA  83           HA       ALA  83  12.232  -3.999  -3.999
  653   1HB   ALA  83          2HB       ALA  83  10.669  -1.933  -1.933
  654   2HB   ALA  83          1HB       ALA  83  12.169  -1.105  -1.105
  655   3HB   ALA  83          3HB       ALA  83  12.189  -2.455  -2.455
  656    H    CYS  84           H        CYS  84  11.693  -2.567  -2.567
  657    HA   CYS  84           HA       CYS  84  14.238  -1.108  -1.108
  658   1HB   CYS  84          2HB       CYS  84  12.319  -0.191  -0.191
  659   2HB   CYS  84          1HB       CYS  84  11.849  -1.760  -1.760
  660    HG   CYS  84           HG       CYS  84  13.118  -0.269  -0.269
  661    H    HIS  85           H        HIS  85  13.047  -3.184  -3.184
  662    HA   HIS  85           HA       HIS  85  15.138  -5.227  -5.227
  663   1HB   HIS  85          2HB       HIS  85  15.961  -2.994  -2.994
  664   2HB   HIS  85          1HB       HIS  85  15.214  -3.722  -3.722
  665    HD1  HIS  85           HD1      HIS  85  16.176  -6.574  -6.574
  666    HD2  HIS  85           HD2      HIS  85  18.379  -3.682  -3.682
  667    HE1  HIS  85           HE1      HIS  85  18.407  -7.634  -7.634
  668    H    GLU  86           H        GLU  86  15.055  -5.757  -5.757
  669    HA   GLU  86           HA       GLU  86  13.806  -7.119  -7.119
  670   1HB   GLU  86          2HB       GLU  86  11.397  -5.812  -5.812
  671   2HB   GLU  86          1HB       GLU  86  11.616  -6.298  -6.298
  672   1HG   GLU  86          2HG       GLU  86  13.248  -4.123  -4.123
  673   2HG   GLU  86          1HG       GLU  86  11.807  -3.812  -3.812
  674    H    PHE  87           H        PHE  87  11.070  -8.078  -8.078
  675    HA   PHE  87           HA       PHE  87  11.561 -10.573 -10.573
  676   1HB   PHE  87          2HB       PHE  87   9.548 -10.421 -10.421
  677   2HB   PHE  87          1HB       PHE  87   9.156  -8.856  -8.856
  678    HD1  PHE  87           HD2      PHE  87   8.503  -8.756  -8.756
  679    HD2  PHE  87           HD1      PHE  87   8.538 -12.347 -12.347
  680    HE1  PHE  87           HE2      PHE  87   7.187  -9.856  -9.856
  681    HE2  PHE  87           HE1      PHE  87   7.154 -13.448 -13.448
  682    HZ   PHE  87           HZ       PHE  87   6.493 -12.207 -12.207
  683    H    PHE  88           H        PHE  88  10.290  -7.606  -7.606
  684    HA   PHE  88           HA       PHE  88   9.866  -8.702  -8.702
  685   1HB   PHE  88          2HB       PHE  88  10.655  -5.925  -5.925
  686   2HB   PHE  88          1HB       PHE  88  10.074  -6.336  -6.336
  687    HD1  PHE  88           HD2      PHE  88   8.046  -8.331  -8.331
  688    HD2  PHE  88           HD1      PHE  88   8.902  -4.734  -4.734
  689    HE1  PHE  88           HE2      PHE  88   5.693  -8.237  -8.237
  690    HE2  PHE  88           HE1      PHE  88   6.548  -4.629  -4.629
  691    HZ   PHE  88           HZ       PHE  88   4.939  -6.371  -6.371
  692    H    GLU  89           H        GLU  89  11.221  -9.118  -9.118
  693    HA   GLU  89           HA       GLU  89  14.043  -8.171  -8.171
  694   1HB   GLU  89          2HB       GLU  89  13.436 -10.560 -10.560
  695   2HB   GLU  89          1HB       GLU  89  13.521 -11.045 -11.045
  696   1HG   GLU  89          2HG       GLU  89  15.714  -9.340  -9.340
  697   2HG   GLU  89          1HG       GLU  89  15.699 -11.063 -11.063
  698    H    HIS  90           H        HIS  90  11.490  -9.927  -9.927
  699    HA   HIS  90           HA       HIS  90  12.144  -8.480  -8.480
  700   1HB   HIS  90          2HB       HIS  90  13.785 -10.312 -10.312
  701   2HB   HIS  90          1HB       HIS  90  12.489 -11.483 -11.483
  702    HD1  HIS  90           HD1      HIS  90  13.753 -12.283 -12.283
  703    HD2  HIS  90           HD2      HIS  90  11.160  -9.021  -9.021
  704    HE1  HIS  90           HE1      HIS  90  13.060 -11.990 -11.990
  705    H    GLU  91           H        GLU  91   9.972  -7.803  -7.803
  706    HA   GLU  91           HA       GLU  91   7.670  -9.371  -9.371
  707   1HB   GLU  91          2HB       GLU  91   7.776  -6.906  -6.906
  708   2HB   GLU  91          1HB       GLU  91   8.078  -7.119  -7.119
  709   1HG   GLU  91          2HG       GLU  91   5.713  -8.560  -8.560
  710   2HG   GLU  91          1HG       GLU  91   5.590  -6.799  -6.799
  711   1H    MET   0          3H        MET   0   7.166   9.702   9.702
  712   2H    MET   0          2H        MET   0   8.771  10.191  10.191
  713   3H    MET   0          1H        MET   0   7.512  11.332  11.332
  714    HA   MET   0           HA       MET   0   7.139  11.169  11.169
  715   1HB   MET   0          2HB       MET   0   9.020  12.544  12.544
  716   2HB   MET   0          1HB       MET   0  10.107  11.185  11.185
  717   1HG   MET   0          2HG       MET   0   9.490  11.257  11.257
  718   2HG   MET   0          1HG       MET   0   8.503  12.683  12.683
  719   1HE   MET   0          3HE       MET   0  11.819  10.983  10.983
  720   2HE   MET   0          2HE       MET   0  13.045  12.240  12.240
  721   3HE   MET   0          1HE       MET   0  12.042  11.835  11.835
  722    H    SER   1           H        SER   1   9.136   8.602   8.602
  723    HA   SER   1           HA       SER   1   9.576   7.316   7.316
  724   1HB   SER   1          2HB       SER   1  10.989   7.401   7.401
  725   2HB   SER   1          1HB       SER   1  10.010   5.991   5.991
  726    HG   SER   1           HG       SER   1  11.963   5.461   5.461
  727    H    GLU   2           H        GLU   2   6.939   7.572   7.572
  728    HA   GLU   2           HA       GLU   2   5.808   5.149   5.149
  729   1HB   GLU   2          2HB       GLU   2   4.831   7.719   7.719
  730   2HB   GLU   2          1HB       GLU   2   3.698   6.368   6.368
  731   1HG   GLU   2          2HG       GLU   2   4.108   6.040   6.040
  732   2HG   GLU   2          1HG       GLU   2   5.184   7.439   7.439
  733    H    LEU   3           H        LEU   3   6.494   6.362   6.362
  734    HA   LEU   3           HA       LEU   3   4.918   4.332   4.332
  735   1HB   LEU   3          2HB       LEU   3   7.196   6.066   6.066
  736   2HB   LEU   3          1HB       LEU   3   5.890   5.364   5.364
  737    HG   LEU   3           HG       LEU   3   4.907   6.982   6.982
  738   1HD1  LEU   3          1HD1      LEU   3   7.151   8.076   8.076
  739   2HD1  LEU   3          3HD1      LEU   3   6.105   8.576   8.576
  740   3HD1  LEU   3          2HD1      LEU   3   5.730   9.070   9.070
  741   1HD2  LEU   3          2HD2      LEU   3   4.268   6.258   6.258
  742   2HD2  LEU   3          1HD2      LEU   3   3.202   6.869   6.869
  743   3HD2  LEU   3          3HD2      LEU   3   4.091   7.996   7.996
  744    H    GLU   4           H        GLU   4   8.459   4.929   4.929
  745    HA   GLU   4           HA       GLU   4   9.289   2.456   2.456
  746   1HB   GLU   4          2HB       GLU   4  10.896   4.147   4.147
  747   2HB   GLU   4          1HB       GLU   4  10.442   4.444   4.444
  748   1HG   GLU   4          2HG       GLU   4  11.454   1.724   1.724
  749   2HG   GLU   4          1HG       GLU   4  12.632   3.037   3.037
  750    H    LYS   5           H        LYS   5   8.425   3.354   3.354
  751    HA   LYS   5           HA       LYS   5   9.155   0.850   0.850
  752   1HB   LYS   5          2HB       LYS   5   6.991   2.785   2.785
  753   2HB   LYS   5          1HB       LYS   5   8.055   1.817   1.817
  754   1HG   LYS   5          2HG       LYS   5   9.662   3.494   3.494
  755   2HG   LYS   5          1HG       LYS   5   8.472   4.484   4.484
  756   1HD   LYS   5          2HD       LYS   5  10.043   4.442   4.442
  757   2HD   LYS   5          1HD       LYS   5   9.261   2.908   2.908
  758   1HE   LYS   5          2HE       LYS   5  10.929   1.687   1.687
  759   2HE   LYS   5          1HE       LYS   5  11.699   3.217   3.217
  760   1HZ   LYS   5          1HZ       LYS   5  11.220   2.929   2.929
  761   2HZ   LYS   5          3HZ       LYS   5  12.329   1.808   1.808
  762   3HZ   LYS   5          2HZ       LYS   5  12.608   3.472   3.472
  763    H    ALA   6           H        ALA   6   6.075   2.169   2.169
  764    HA   ALA   6           HA       ALA   6   4.543  -0.224  -0.224
  765   1HB   ALA   6          2HB       ALA   6   4.293   2.247   2.247
  766   2HB   ALA   6          1HB       ALA   6   3.125   0.939   0.939
  767   3HB   ALA   6          3HB       ALA   6   3.298   1.749   1.749
  768    H    VAL   7           H        VAL   7   6.643   0.895   0.895
  769    HA   VAL   7           HA       VAL   7   5.941  -1.030  -1.030
  770    HB   VAL   7           HB       VAL   7   8.107   0.915   0.915
  771   1HG1  VAL   7          3HG1      VAL   7   8.475  -1.480  -1.480
  772   2HG1  VAL   7          2HG1      VAL   7   8.951   0.034   0.034
  773   3HG1  VAL   7          1HG1      VAL   7   9.672  -0.439  -0.439
  774   1HG2  VAL   7          3HG2      VAL   7   6.143   0.474   0.474
  775   2HG2  VAL   7          2HG2      VAL   7   6.312   1.873   1.873
  776   3HG2  VAL   7          1HG2      VAL   7   7.509   1.572   1.572
  777    H    VAL   8           H        VAL   8   8.504  -0.867  -0.867
  778    HA   VAL   8           HA       VAL   8   9.686  -3.428  -3.428
  779    HB   VAL   8           HB       VAL   8   9.605  -1.515  -1.515
  780   1HG1  VAL   8          2HG1      VAL   8  11.099  -4.150  -4.150
  781   2HG1  VAL   8          1HG1      VAL   8  11.311  -2.920  -2.920
  782   3HG1  VAL   8          3HG1      VAL   8   9.772  -3.769  -3.769
  783   1HG2  VAL   8          3HG2      VAL   8  10.955  -1.002  -1.002
  784   2HG2  VAL   8          2HG2      VAL   8  11.942  -1.165  -1.165
  785   3HG2  VAL   8          1HG2      VAL   8  11.872  -2.482  -2.482
  786    H    ALA   9           H        ALA   9   6.785  -2.443  -2.443
  787    HA   ALA   9           HA       ALA   9   6.467  -4.885  -4.885
  788   1HB   ALA   9          2HB       ALA   9   5.331  -2.245  -2.245
  789   2HB   ALA   9          1HB       ALA   9   4.037  -3.442  -3.442
  790   3HB   ALA   9          3HB       ALA   9   5.130  -3.403  -3.403
  791    H    LEU  10           H        LEU  10   5.067  -3.485  -3.485
  792    HA   LEU  10           HA       LEU  10   3.198  -5.578  -5.578
  793   1HB   LEU  10          2HB       LEU  10   4.753  -3.703  -3.703
  794   2HB   LEU  10          1HB       LEU  10   3.401  -4.701  -4.701
  795    HG   LEU  10           HG       LEU  10   3.355  -2.449  -2.449
  796   1HD1  LEU  10          2HD1      LEU  10   1.861  -3.017  -3.017
  797   2HD1  LEU  10          1HD1      LEU  10   1.533  -1.649  -1.649
  798   3HD1  LEU  10          3HD1      LEU  10   3.091  -1.777  -1.777
  799   1HD2  LEU  10          1HD2      LEU  10   1.445  -4.732  -4.732
  800   2HD2  LEU  10          3HD2      LEU  10   1.980  -3.998  -3.998
  801   3HD2  LEU  10          2HD2      LEU  10   0.827  -3.152  -3.152
  802    H    ILE  11           H        ILE  11   6.635  -5.190  -5.190
  803    HA   ILE  11           HA       ILE  11   6.897  -7.453  -7.453
  804    HB   ILE  11           HB       ILE  11   9.235  -7.260  -7.260
  805   1HG1  ILE  11          2HG1      ILE  11   9.845  -5.877  -5.877
  806   2HG1  ILE  11          1HG1      ILE  11   8.220  -6.301  -6.301
  807   1HG2  ILE  11          1HG2      ILE  11   7.638  -4.939  -4.939
  808   2HG2  ILE  11          3HG2      ILE  11   8.934  -4.521  -4.521
  809   3HG2  ILE  11          2HG2      ILE  11   9.320  -5.178  -5.178
  810   1HD1  ILE  11          3HD1      ILE  11   9.186  -8.729  -8.729
  811   2HD1  ILE  11          2HD1      ILE  11  10.624  -7.982  -7.982
  812   3HD1  ILE  11          1HD1      ILE  11   9.180  -8.179  -8.179
  813    H    ASP  12           H        ASP  12   6.628  -7.126  -7.126
  814    HA   ASP  12           HA       ASP  12   7.208  -9.872  -9.872
  815   1HB   ASP  12          2HB       ASP  12   6.590  -7.394  -7.394
  816   2HB   ASP  12          1HB       ASP  12   5.286  -8.490  -8.490
  817    H    VAL  13           H        VAL  13   4.415  -8.032  -8.032
  818    HA   VAL  13           HA       VAL  13   2.390 -10.017 -10.017
  819    HB   VAL  13           HB       VAL  13   2.536  -7.784  -7.784
  820   1HG1  VAL  13          1HG1      VAL  13   0.693  -9.571  -9.571
  821   2HG1  VAL  13          3HG1      VAL  13   0.081  -8.896  -8.896
  822   3HG1  VAL  13          2HG1      VAL  13   0.176  -7.888  -7.888
  823   1HG2  VAL  13          1HG2      VAL  13   2.985  -7.168  -7.168
  824   2HG2  VAL  13          3HG2      VAL  13   1.630  -6.337  -6.337
  825   3HG2  VAL  13          2HG2      VAL  13   1.331  -7.686  -7.686
  826    H    PHE  14           H        PHE  14   3.750  -8.988  -8.988
  827    HA   PHE  14           HA       PHE  14   2.751 -11.075 -11.075
  828   1HB   PHE  14          2HB       PHE  14   5.170  -9.308  -9.308
  829   2HB   PHE  14          1HB       PHE  14   5.293 -10.855 -10.855
  830    HD1  PHE  14           HD1      PHE  14   3.487 -11.700 -11.700
  831    HD2  PHE  14           HD2      PHE  14   3.666  -7.628  -7.628
  832    HE1  PHE  14           HE1      PHE  14   1.929 -11.063 -11.063
  833    HE2  PHE  14           HE2      PHE  14   2.096  -6.977  -6.977
  834    HZ   PHE  14           HZ       PHE  14   1.222  -8.697  -8.697
  835    H    HIS  15           H        HIS  15   5.777 -11.136 -11.136
  836    HA   HIS  15           HA       HIS  15   6.786 -13.670 -13.670
  837   1HB   HIS  15          2HB       HIS  15   7.612 -11.920 -11.920
  838   2HB   HIS  15          1HB       HIS  15   6.353 -12.432 -12.432
  839    HD1  HIS  15           HD1      HIS  15   9.137 -14.114 -14.114
  840    HD2  HIS  15           HD2      HIS  15   7.251 -14.408 -14.408
  841    HE1  HIS  15           HE1      HIS  15  10.318 -15.968 -15.968
  842    H    GLN  16           H        GLN  16   4.515 -13.083 -13.083
  843    HA   GLN  16           HA       GLN  16   3.814 -15.827 -15.827
  844   1HB   GLN  16          2HB       GLN  16   2.371 -13.212 -13.212
  845   2HB   GLN  16          1HB       GLN  16   1.883 -14.775 -14.775
  846   1HG   GLN  16          2HG       GLN  16   4.555 -14.735 -14.735
  847   2HG   GLN  16          1HG       GLN  16   4.132 -13.029 -13.029
  848   1HE2  GLN  16          2HE2      GLN  16   1.916 -13.565 -13.565
  849   2HE2  GLN  16          1HE2      GLN  16   2.241 -12.523 -12.523
  850    H    TYR  17           H        TYR  17   1.600 -13.311 -13.311
  851    HA   TYR  17           HA       TYR  17  -0.414 -14.723 -14.723
  852   1HB   TYR  17          2HB       TYR  17   1.120 -12.277 -12.277
  853   2HB   TYR  17          1HB       TYR  17  -0.295 -12.827 -12.827
  854    HD1  TYR  17           HD1      TYR  17  -2.526 -12.830 -12.830
  855    HD2  TYR  17           HD2      TYR  17   0.910 -11.432 -11.432
  856    HE1  TYR  17           HE1      TYR  17  -4.007 -11.804 -11.804
  857    HE2  TYR  17           HE2      TYR  17  -0.566 -10.381 -10.381
  858    HH   TYR  17           HH       TYR  17  -2.715 -10.419 -10.419
  859    H    SER  18           H        SER  18   2.395 -13.728 -13.728
  860    HA   SER  18           HA       SER  18   1.735 -15.745 -15.745
  861   1HB   SER  18          2HB       SER  18   3.427 -14.640 -14.640
  862   2HB   SER  18          1HB       SER  18   2.701 -13.365 -13.365
  863    HG   SER  18           HG       SER  18   5.225 -14.394 -14.394
  864    H    GLY  19           H        GLY  19   3.219 -16.021 -16.021
  865   1HA   GLY  19          2HA       GLY  19   4.655 -18.454 -18.454
  866   2HA   GLY  19          1HA       GLY  19   5.620 -17.224 -17.224
  867    H    ARG  20           H        ARG  20   2.303 -18.417 -18.417
  868    HA   ARG  20           HA       ARG  20   3.210 -19.008 -19.008
  869   1HB   ARG  20          2HB       ARG  20   0.904 -18.466 -18.466
  870   2HB   ARG  20          1HB       ARG  20   1.581 -17.136 -17.136
  871   1HG   ARG  20          2HG       ARG  20   0.524 -18.318 -18.318
  872   2HG   ARG  20          1HG       ARG  20  -0.419 -19.222 -19.222
  873   1HD   ARG  20          2HD       ARG  20  -0.285 -16.204 -16.204
  874   2HD   ARG  20          1HD       ARG  20  -1.476 -17.042 -17.042
  875    HE   ARG  20           HE       ARG  20  -1.269 -17.347 -17.347
  876   1HH1  ARG  20          2HH1      ARG  20  -2.523 -18.910 -18.910
  877   2HH1  ARG  20          1HH1      ARG  20  -4.167 -18.921 -18.921
  878   1HH2  ARG  20          1HH2      ARG  20  -3.553 -16.847 -16.847
  879   2HH2  ARG  20          2HH2      ARG  20  -4.749 -17.753 -17.753
  880    H    GLU  21           H        GLU  21   1.708 -20.244 -20.244
  881    HA   GLU  21           HA       GLU  21   1.423 -22.910 -22.910
  882   1HB   GLU  21          2HB       GLU  21  -0.563 -21.263 -21.263
  883   2HB   GLU  21          1HB       GLU  21  -0.673 -23.023 -23.023
  884   1HG   GLU  21          2HG       GLU  21  -0.327 -22.585 -22.585
  885   2HG   GLU  21          1HG       GLU  21  -1.277 -21.174 -21.174
  886    H    GLY  22           H        GLY  22   1.705 -21.055 -21.055
  887   1HA   GLY  22          2HA       GLY  22   3.553 -22.968 -22.968
  888   2HA   GLY  22          1HA       GLY  22   1.965 -23.076 -23.076
  889    H    ASP  23           H        ASP  23   2.248 -22.077 -22.077
  890    HA   ASP  23           HA       ASP  23   2.903 -20.407 -20.407
  891   1HB   ASP  23          2HB       ASP  23   1.589 -19.154 -19.154
  892   2HB   ASP  23          1HB       ASP  23   2.209 -18.099 -18.099
  893    H    LYS  24           H        LYS  24   3.908 -17.834 -17.834
  894    HA   LYS  24           HA       LYS  24   6.369 -18.139 -18.139
  895   1HB   LYS  24          2HB       LYS  24   7.476 -17.112 -17.112
  896   2HB   LYS  24          1HB       LYS  24   7.302 -18.851 -18.851
  897   1HG   LYS  24          2HG       LYS  24   5.339 -18.921 -18.921
  898   2HG   LYS  24          1HG       LYS  24   5.189 -17.164 -17.164
  899   1HD   LYS  24          2HD       LYS  24   6.433 -17.090 -17.090
  900   2HD   LYS  24          1HD       LYS  24   7.791 -17.753 -17.753
  901   1HE   LYS  24          2HE       LYS  24   5.632 -19.580 -19.580
  902   2HE   LYS  24          1HE       LYS  24   6.991 -19.084 -19.084
  903   1HZ   LYS  24          1HZ       LYS  24   7.380 -20.108 -20.108
  904   2HZ   LYS  24          3HZ       LYS  24   7.354 -21.141 -21.141
  905   3HZ   LYS  24          2HZ       LYS  24   8.542 -19.931 -19.931
  906    H    HIS  25           H        HIS  25   6.026 -15.737 -15.737
  907    HA   HIS  25           HA       HIS  25   5.449 -13.678 -13.678
  908   1HB   HIS  25          2HB       HIS  25   7.103 -13.418 -13.418
  909   2HB   HIS  25          1HB       HIS  25   6.995 -12.251 -12.251
  910    HD1  HIS  25           HD1      HIS  25   9.648 -13.816 -13.816
  911    HD2  HIS  25           HD2      HIS  25   7.338 -14.686 -14.686
  912    HE1  HIS  25           HE1      HIS  25  11.157 -15.066 -15.066
  913    H    LYS  26           H        LYS  26   3.247 -14.680 -14.680
  914    HA   LYS  26           HA       LYS  26   2.227 -12.499 -12.499
  915   1HB   LYS  26          2HB       LYS  26   2.487 -15.394 -15.394
  916   2HB   LYS  26          1HB       LYS  26   1.123 -14.460 -14.460
  917   1HG   LYS  26          2HG       LYS  26   2.490 -13.652 -13.652
  918   2HG   LYS  26          1HG       LYS  26   3.368 -12.798 -12.798
  919   1HD   LYS  26          2HD       LYS  26   4.159 -15.542 -15.542
  920   2HD   LYS  26          1HD       LYS  26   4.283 -14.957 -14.957
  921   1HE   LYS  26          2HE       LYS  26   5.365 -12.843 -12.843
  922   2HE   LYS  26          1HE       LYS  26   5.857 -14.181 -14.181
  923   1HZ   LYS  26          2HZ       LYS  26   6.080 -14.397 -14.397
  924   2HZ   LYS  26          1HZ       LYS  26   7.315 -13.667 -13.667
  925   3HZ   LYS  26          3HZ       LYS  26   6.896 -15.285 -15.285
  926    H    LEU  27           H        LEU  27   0.294 -11.910 -11.910
  927    HA   LEU  27           HA       LEU  27  -0.947 -13.683 -13.683
  928   1HB   LEU  27          2HB       LEU  27  -0.815 -10.851 -10.851
  929   2HB   LEU  27          1HB       LEU  27  -2.448 -11.360 -11.360
  930    HG   LEU  27           HG       LEU  27  -1.067 -10.613 -10.613
  931   1HD1  LEU  27          2HD1      LEU  27  -2.956 -12.374 -12.374
  932   2HD1  LEU  27          1HD1      LEU  27  -1.655 -13.544 -13.544
  933   3HD1  LEU  27          3HD1      LEU  27  -1.902 -12.259 -12.259
  934   1HD2  LEU  27          1HD2      LEU  27   0.821 -12.376 -12.376
  935   2HD2  LEU  27          3HD2      LEU  27   1.048 -11.356 -11.356
  936   3HD2  LEU  27          2HD2      LEU  27   0.439 -13.001 -13.001
  937    H    LYS  28           H        LYS  28  -3.440 -13.774 -13.774
  938    HA   LYS  28           HA       LYS  28  -4.601 -13.741 -13.741
  939   1HB   LYS  28          2HB       LYS  28  -3.390 -15.951 -15.951
  940   2HB   LYS  28          1HB       LYS  28  -4.682 -16.227 -16.227
  941   1HG   LYS  28          2HG       LYS  28  -6.351 -15.934 -15.934
  942   2HG   LYS  28          1HG       LYS  28  -5.019 -15.799 -15.799
  943   1HD   LYS  28          2HD       LYS  28  -5.166 -18.052 -18.052
  944   2HD   LYS  28          1HD       LYS  28  -4.384 -18.100 -18.100
  945   1HE   LYS  28          2HE       LYS  28  -6.257 -18.974 -18.974
  946   2HE   LYS  28          1HE       LYS  28  -7.212 -17.599 -17.599
  947   1HZ   LYS  28          1HZ       LYS  28  -6.896 -18.784 -18.784
  948   2HZ   LYS  28          3HZ       LYS  28  -6.651 -20.163 -20.163
  949   3HZ   LYS  28          2HZ       LYS  28  -8.114 -19.308 -19.308
  950    H    LYS  29           H        LYS  29  -6.977 -13.977 -13.977
  951    HA   LYS  29           HA       LYS  29  -8.386 -12.468 -12.468
  952   1HB   LYS  29          2HB       LYS  29  -9.201 -15.086 -15.086
  953   2HB   LYS  29          1HB       LYS  29 -10.332 -13.904 -13.904
  954   1HG   LYS  29          2HG       LYS  29  -9.960 -12.389 -12.389
  955   2HG   LYS  29          1HG       LYS  29  -8.290 -12.906 -12.906
  956   1HD   LYS  29          2HD       LYS  29  -8.952 -14.186 -14.186
  957   2HD   LYS  29          1HD       LYS  29  -9.955 -15.128 -15.128
  958   1HE   LYS  29          2HE       LYS  29 -11.863 -14.164 -14.164
  959   2HE   LYS  29          1HE       LYS  29 -11.156 -12.537 -12.537
  960   1HZ   LYS  29          1HZ       LYS  29  -9.723 -13.406 -13.406
  961   2HZ   LYS  29          3HZ       LYS  29 -10.989 -14.516 -14.516
  962   3HZ   LYS  29          2HZ       LYS  29 -11.301 -12.849 -12.849
  963    H    SER  30           H        SER  30  -7.619 -15.937 -15.937
  964    HA   SER  30           HA       SER  30  -8.993 -16.373 -16.373
  965   1HB   SER  30          2HB       SER  30  -6.379 -17.569 -17.569
  966   2HB   SER  30          1HB       SER  30  -7.512 -18.312 -18.312
  967    HG   SER  30           HG       SER  30  -7.849 -19.097 -19.097
  968    H    GLU  31           H        GLU  31  -5.503 -15.660 -15.660
  969    HA   GLU  31           HA       GLU  31  -4.950 -15.220 -15.220
  970   1HB   GLU  31          2HB       GLU  31  -3.562 -14.121 -14.121
  971   2HB   GLU  31          1HB       GLU  31  -2.847 -14.318 -14.318
  972   1HG   GLU  31          2HG       GLU  31  -2.407 -16.494 -16.494
  973   2HG   GLU  31          1HG       GLU  31  -4.057 -16.799 -16.799
  974    H    LEU  32           H        LEU  32  -5.895 -13.059 -13.059
  975    HA   LEU  32           HA       LEU  32  -5.603 -10.560 -10.560
  976   1HB   LEU  32          2HB       LEU  32  -6.930 -11.717 -11.717
  977   2HB   LEU  32          1HB       LEU  32  -7.940 -10.472 -10.472
  978    HG   LEU  32           HG       LEU  32  -6.368  -9.561  -9.561
  979   1HD1  LEU  32          2HD1      LEU  32  -6.902  -8.608  -8.608
  980   2HD1  LEU  32          1HD1      LEU  32  -5.199  -8.265  -8.265
  981   3HD1  LEU  32          3HD1      LEU  32  -6.435  -7.658  -7.658
  982   1HD2  LEU  32          1HD2      LEU  32  -4.561 -11.303 -11.303
  983   2HD2  LEU  32          3HD2      LEU  32  -4.054  -9.734  -9.734
  984   3HD2  LEU  32          2HD2      LEU  32  -4.128 -10.006 -10.006
  985    H    LYS  33           H        LYS  33  -8.420 -12.775 -12.775
  986    HA   LYS  33           HA       LYS  33 -10.241 -11.373 -11.373
  987   1HB   LYS  33          2HB       LYS  33  -9.778 -14.029 -14.029
  988   2HB   LYS  33          1HB       LYS  33 -10.213 -14.145 -14.145
  989   1HG   LYS  33          2HG       LYS  33 -11.796 -12.389 -12.389
  990   2HG   LYS  33          1HG       LYS  33 -12.132 -14.117 -14.117
  991   1HD   LYS  33          2HD       LYS  33 -11.958 -13.380 -13.380
  992   2HD   LYS  33          1HD       LYS  33 -12.725 -11.971 -11.971
  993   1HE   LYS  33          2HE       LYS  33 -14.466 -13.389 -13.389
  994   2HE   LYS  33          1HE       LYS  33 -13.676 -14.840 -14.840
  995   1HZ   LYS  33          1HZ       LYS  33 -14.626 -12.540 -12.540
  996   2HZ   LYS  33          3HZ       LYS  33 -15.437 -14.023 -14.023
  997   3HZ   LYS  33          2HZ       LYS  33 -13.910 -13.962 -13.962
  998    H    GLU  34           H        GLU  34  -7.977 -13.883 -13.883
  999    HA   GLU  34           HA       GLU  34  -8.260 -13.346 -13.346
 1000   1HB   GLU  34          2HB       GLU  34  -6.753 -14.981 -14.981
 1001   2HB   GLU  34          1HB       GLU  34  -5.524 -13.938 -13.938
 1002   1HG   GLU  34          2HG       GLU  34  -5.627 -15.192 -15.192
 1003   2HG   GLU  34          1HG       GLU  34  -7.292 -14.651 -14.651
 1004    H    LEU  35           H        LEU  35  -6.259 -11.793 -11.793
 1005    HA   LEU  35           HA       LEU  35  -4.673 -10.150 -10.150
 1006   1HB   LEU  35          2HB       LEU  35  -4.822 -10.714 -10.714
 1007   2HB   LEU  35          1HB       LEU  35  -5.599  -9.128  -9.128
 1008    HG   LEU  35           HG       LEU  35  -3.153  -9.307  -9.307
 1009   1HD1  LEU  35          2HD1      LEU  35  -3.052 -10.506 -10.506
 1010   2HD1  LEU  35          1HD1      LEU  35  -2.397  -8.887  -8.887
 1011   3HD1  LEU  35          3HD1      LEU  35  -1.677  -9.960  -9.960
 1012   1HD2  LEU  35          2HD2      LEU  35  -4.730  -7.314  -7.314
 1013   2HD2  LEU  35          1HD2      LEU  35  -3.006  -7.083  -7.083
 1014   3HD2  LEU  35          3HD2      LEU  35  -3.593  -7.335  -7.335
 1015    H    ILE  36           H        ILE  36  -7.989  -9.821  -9.821
 1016    HA   ILE  36           HA       ILE  36  -8.174  -7.032  -7.032
 1017    HB   ILE  36           HB       ILE  36 -10.015  -9.083  -9.083
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.985  -6.671  -6.671
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.316  -6.906  -6.906
 1020   1HG2  ILE  36          1HG2      ILE  36 -10.698  -6.298  -6.298
 1021   2HG2  ILE  36          3HG2      ILE  36 -11.730  -7.271  -7.271
 1022   3HG2  ILE  36          2HG2      ILE  36 -11.378  -7.813  -7.813
 1023   1HD1  ILE  36          2HD1      ILE  36  -9.377  -9.428  -9.428
 1024   2HD1  ILE  36          1HD1      ILE  36  -9.674  -8.222  -8.222
 1025   3HD1  ILE  36          3HD1      ILE  36  -8.032  -8.511  -8.511
 1026    H    ASN  37           H        ASN  37  -9.586 -10.207 -10.207
 1027    HA   ASN  37           HA       ASN  37 -11.018  -9.254  -9.254
 1028   1HB   ASN  37          2HB       ASN  37 -10.000 -12.037 -12.037
 1029   2HB   ASN  37          1HB       ASN  37 -11.485 -11.540 -11.540
 1030   1HD2  ASN  37          2HD2      ASN  37 -12.839 -10.434 -10.434
 1031   2HD2  ASN  37          1HD2      ASN  37 -12.469  -9.640  -9.640
 1032    H    ASN  38           H        ASN  38  -7.713 -10.357 -10.357
 1033    HA   ASN  38           HA       ASN  38  -7.137 -10.797 -10.797
 1034   1HB   ASN  38          2HB       ASN  38  -5.536 -10.494 -10.494
 1035   2HB   ASN  38          1HB       ASN  38  -4.751 -10.722 -10.722
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.099 -14.159 -14.159
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.080 -12.816 -12.816
 1038    H    GLU  39           H        GLU  39  -7.536  -8.039  -8.039
 1039    HA   GLU  39           HA       GLU  39  -5.971  -6.327  -6.327
 1040   1HB   GLU  39          2HB       GLU  39  -5.565  -4.903  -4.903
 1041   2HB   GLU  39          1HB       GLU  39  -5.094  -6.560  -6.560
 1042   1HG   GLU  39          2HG       GLU  39  -7.274  -6.914  -6.914
 1043   2HG   GLU  39          1HG       GLU  39  -7.699  -5.236  -5.236
 1044    H    LEU  40           H        LEU  40  -8.842  -6.459  -6.459
 1045    HA   LEU  40           HA       LEU  40 -10.061  -4.253  -4.253
 1046   1HB   LEU  40          2HB       LEU  40 -10.585  -5.291  -5.291
 1047   2HB   LEU  40          1HB       LEU  40 -11.465  -3.959  -3.959
 1048    HG   LEU  40           HG       LEU  40  -8.524  -3.726  -3.726
 1049   1HD1  LEU  40          2HD1      LEU  40  -9.184  -4.731  -4.731
 1050   2HD1  LEU  40          1HD1      LEU  40  -9.825  -3.119  -3.119
 1051   3HD1  LEU  40          3HD1      LEU  40  -8.114  -3.330  -3.330
 1052   1HD2  LEU  40          3HD2      LEU  40 -10.598  -2.080  -2.080
 1053   2HD2  LEU  40          2HD2      LEU  40  -9.018  -1.485  -1.485
 1054   3HD2  LEU  40          1HD2      LEU  40 -10.313  -1.674  -1.674
 1055    H    SER  41           H        SER  41 -10.455  -6.253  -6.253
 1056    HA   SER  41           HA       SER  41 -12.249  -8.342  -8.342
 1057   1HB   SER  41          2HB       SER  41 -11.047  -8.098  -8.098
 1058   2HB   SER  41          1HB       SER  41 -11.853  -6.569  -6.569
 1059    HG   SER  41           HG       SER  41 -12.637  -8.842  -8.842
 1060    H    HIS  42           H        HIS  42 -12.937  -4.934  -4.934
 1061    HA   HIS  42           HA       HIS  42 -15.730  -5.025  -5.025
 1062   1HB   HIS  42          2HB       HIS  42 -14.059  -2.979  -2.979
 1063   2HB   HIS  42          1HB       HIS  42 -15.624  -2.684  -2.684
 1064    HD1  HIS  42           HD1      HIS  42 -12.529  -1.616  -1.616
 1065    HD2  HIS  42           HD2      HIS  42 -15.031  -4.127  -4.127
 1066    HE1  HIS  42           HE1      HIS  42 -11.746  -1.483  -1.483
 1067    H    PHE  43           H        PHE  43 -13.777  -5.169  -5.169
 1068    HA   PHE  43           HA       PHE  43 -16.042  -4.991  -4.991
 1069   1HB   PHE  43          2HB       PHE  43 -13.100  -5.524  -5.524
 1070   2HB   PHE  43          1HB       PHE  43 -14.071  -5.978  -5.978
 1071    HD1  PHE  43           HD2      PHE  43 -15.915  -3.349  -3.349
 1072    HD2  PHE  43           HD1      PHE  43 -12.133  -4.078  -4.078
 1073    HE1  PHE  43           HE2      PHE  43 -15.866  -1.016  -1.016
 1074    HE2  PHE  43           HE1      PHE  43 -12.093  -1.739  -1.739
 1075    HZ   PHE  43           HZ       PHE  43 -13.964  -0.208  -0.208
 1076    H    LEU  44           H        LEU  44 -14.819  -7.480  -7.480
 1077    HA   LEU  44           HA       LEU  44 -15.198  -9.816  -9.816
 1078   1HB   LEU  44          2HB       LEU  44 -14.486  -9.343  -9.343
 1079   2HB   LEU  44          1HB       LEU  44 -16.203  -9.584  -9.584
 1080    HG   LEU  44           HG       LEU  44 -16.121 -11.788 -11.788
 1081   1HD1  LEU  44          1HD1      LEU  44 -13.690 -10.688 -10.688
 1082   2HD1  LEU  44          3HD1      LEU  44 -13.345 -12.224 -12.224
 1083   3HD1  LEU  44          2HD1      LEU  44 -14.556 -12.149 -12.149
 1084   1HD2  LEU  44          1HD2      LEU  44 -14.926 -11.082 -11.082
 1085   2HD2  LEU  44          3HD2      LEU  44 -15.322 -12.726 -12.726
 1086   3HD2  LEU  44          2HD2      LEU  44 -13.702 -12.085 -12.085
 1087    H    GLU  45           H        GLU  45 -17.416  -7.591  -7.591
 1088    HA   GLU  45           HA       GLU  45 -19.827  -9.149  -9.149
 1089   1HB   GLU  45          2HB       GLU  45 -19.089  -7.474  -7.474
 1090   2HB   GLU  45          1HB       GLU  45 -19.981  -6.365  -6.365
 1091   1HG   GLU  45          2HG       GLU  45 -21.881  -7.990  -7.990
 1092   2HG   GLU  45          1HG       GLU  45 -20.998  -8.998  -8.998
 1093    H    GLU  46           H        GLU  46 -17.857  -6.546  -6.546
 1094    HA   GLU  46           HA       GLU  46 -17.964  -5.209  -5.209
 1095   1HB   GLU  46          2HB       GLU  46 -18.605  -7.791  -7.791
 1096   2HB   GLU  46          1HB       GLU  46 -20.049  -6.970  -6.970
 1097   1HG   GLU  46          2HG       GLU  46 -18.916  -6.401  -6.401
 1098   2HG   GLU  46          1HG       GLU  46 -17.842  -5.420  -5.420
 1099    H    ILE  47           H        ILE  47 -19.984  -4.797  -4.797
 1100    HA   ILE  47           HA       ILE  47 -22.262  -3.660  -3.660
 1101    HB   ILE  47           HB       ILE  47 -22.778  -5.240  -5.240
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.315  -3.872  -3.872
 1103   2HG1  ILE  47          1HG1      ILE  47 -23.331  -2.432  -2.432
 1104   1HG2  ILE  47          2HG2      ILE  47 -20.581  -3.911  -3.911
 1105   2HG2  ILE  47          1HG2      ILE  47 -21.991  -3.669  -3.669
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.481  -5.302  -5.302
 1107   1HD1  ILE  47          2HD1      ILE  47 -24.323  -3.921  -3.921
 1108   2HD1  ILE  47          1HD1      ILE  47 -25.461  -2.905  -2.905
 1109   3HD1  ILE  47          3HD1      ILE  47 -24.000  -2.198  -2.198
 1110    H    LYS  48           H        LYS  48 -19.539  -2.846  -2.846
 1111    HA   LYS  48           HA       LYS  48 -20.351  -0.153  -0.153
 1112   1HB   LYS  48          2HB       LYS  48 -17.926  -1.885  -1.885
 1113   2HB   LYS  48          1HB       LYS  48 -17.643  -0.144  -0.144
 1114   1HG   LYS  48          2HG       LYS  48 -17.879  -0.854  -0.854
 1115   2HG   LYS  48          1HG       LYS  48 -19.376  -0.024  -0.024
 1116   1HD   LYS  48          2HD       LYS  48 -20.144  -1.984  -1.984
 1117   2HD   LYS  48          1HD       LYS  48 -20.227  -2.392  -2.392
 1118   1HE   LYS  48          2HE       LYS  48 -19.071  -4.257  -4.257
 1119   2HE   LYS  48          1HE       LYS  48 -17.690  -3.175  -3.175
 1120   1HZ   LYS  48          1HZ       LYS  48 -18.375  -2.327  -2.327
 1121   2HZ   LYS  48          3HZ       LYS  48 -19.012  -3.891  -3.891
 1122   3HZ   LYS  48          2HZ       LYS  48 -17.359  -3.677  -3.677
 1123    H    GLU  49           H        GLU  49 -19.482  -1.612  -1.612
 1124    HA   GLU  49           HA       GLU  49 -18.718   1.036   1.036
 1125   1HB   GLU  49          2HB       GLU  49 -17.404  -0.600  -0.600
 1126   2HB   GLU  49          1HB       GLU  49 -16.721  -0.189  -0.189
 1127   1HG   GLU  49          2HG       GLU  49 -17.387  -2.257  -2.257
 1128   2HG   GLU  49          1HG       GLU  49 -18.505  -2.599  -2.599
 1129    H    GLN  50           H        GLN  50 -21.129   1.127   1.127
 1130    HA   GLN  50           HA       GLN  50 -22.481  -0.792  -0.792
 1131   1HB   GLN  50          2HB       GLN  50 -22.753   2.092   2.092
 1132   2HB   GLN  50          1HB       GLN  50 -23.758   1.483   1.483
 1133   1HG   GLN  50          2HG       GLN  50 -25.160   0.862   0.862
 1134   2HG   GLN  50          1HG       GLN  50 -24.063  -0.510  -0.510
 1135   1HE2  GLN  50          2HE2      GLN  50 -23.430   2.585   2.585
 1136   2HE2  GLN  50          1HE2      GLN  50 -23.844   2.948   2.948
 1137    H    GLU  51           H        GLU  51 -22.222   2.373   2.373
 1138    HA   GLU  51           HA       GLU  51 -21.913   1.532   1.532
 1139   1HB   GLU  51          2HB       GLU  51 -22.361   3.844   3.844
 1140   2HB   GLU  51          1HB       GLU  51 -20.681   3.966   3.966
 1141   1HG   GLU  51          2HG       GLU  51 -20.037   3.388   3.388
 1142   2HG   GLU  51          1HG       GLU  51 -21.726   3.690   3.690
 1143    H    VAL  52           H        VAL  52 -19.533   1.598   1.598
 1144    HA   VAL  52           HA       VAL  52 -17.200   1.408   1.408
 1145    HB   VAL  52           HB       VAL  52 -17.801   0.997   0.997
 1146   1HG1  VAL  52          1HG1      VAL  52 -15.232   0.536   0.536
 1147   2HG1  VAL  52          3HG1      VAL  52 -15.250   0.878   0.878
 1148   3HG1  VAL  52          2HG1      VAL  52 -16.045  -0.568  -0.568
 1149   1HG2  VAL  52          1HG2      VAL  52 -17.217   3.230   3.230
 1150   2HG2  VAL  52          3HG2      VAL  52 -17.264   3.186   3.186
 1151   3HG2  VAL  52          2HG2      VAL  52 -15.743   2.910   2.910
 1152    H    VAL  53           H        VAL  53 -19.174  -0.874  -0.874
 1153    HA   VAL  53           HA       VAL  53 -17.784  -3.274  -3.274
 1154    HB   VAL  53           HB       VAL  53 -20.614  -2.405  -2.405
 1155   1HG1  VAL  53          3HG1      VAL  53 -19.847  -4.992  -4.992
 1156   2HG1  VAL  53          2HG1      VAL  53 -21.134  -5.010  -5.010
 1157   3HG1  VAL  53          1HG1      VAL  53 -21.290  -4.005  -4.005
 1158   1HG2  VAL  53          1HG2      VAL  53 -18.480  -3.527  -3.527
 1159   2HG2  VAL  53          3HG2      VAL  53 -20.100  -3.130  -3.130
 1160   3HG2  VAL  53          2HG2      VAL  53 -19.756  -4.743  -4.743
 1161    H    ASP  54           H        ASP  54 -19.841  -1.321  -1.321
 1162    HA   ASP  54           HA       ASP  54 -19.948  -3.160  -3.160
 1163   1HB   ASP  54          2HB       ASP  54 -21.557  -1.454  -1.454
 1164   2HB   ASP  54          1HB       ASP  54 -20.410  -0.237  -0.237
 1165    H    LYS  55           H        LYS  55 -17.850  -0.444  -0.444
 1166    HA   LYS  55           HA       LYS  55 -16.085  -0.620  -0.620
 1167   1HB   LYS  55          2HB       LYS  55 -16.184   0.693   0.693
 1168   2HB   LYS  55          1HB       LYS  55 -14.651   0.687   0.687
 1169   1HG   LYS  55          2HG       LYS  55 -15.714   2.677   2.677
 1170   2HG   LYS  55          1HG       LYS  55 -16.009   1.537   1.537
 1171   1HD   LYS  55          2HD       LYS  55 -18.211   0.983   0.983
 1172   2HD   LYS  55          1HD       LYS  55 -17.923   2.423   2.423
 1173   1HE   LYS  55          2HE       LYS  55 -19.308   3.062   3.062
 1174   2HE   LYS  55          1HE       LYS  55 -17.685   3.729   3.729
 1175   1HZ   LYS  55          1HZ       LYS  55 -17.570   1.150   1.150
 1176   2HZ   LYS  55          3HZ       LYS  55 -19.062   1.735   1.735
 1177   3HZ   LYS  55          2HZ       LYS  55 -17.630   2.567   2.567
 1178    H    VAL  56           H        VAL  56 -15.351  -1.294  -1.294
 1179    HA   VAL  56           HA       VAL  56 -12.994  -2.706  -2.706
 1180    HB   VAL  56           HB       VAL  56 -15.478  -3.136  -3.136
 1181   1HG1  VAL  56          1HG1      VAL  56 -13.196  -4.909  -4.909
 1182   2HG1  VAL  56          3HG1      VAL  56 -13.288  -4.274  -4.274
 1183   3HG1  VAL  56          2HG1      VAL  56 -14.664  -5.135  -5.135
 1184   1HG2  VAL  56          3HG2      VAL  56 -12.799  -1.791  -1.791
 1185   2HG2  VAL  56          2HG2      VAL  56 -14.407  -1.096  -1.096
 1186   3HG2  VAL  56          1HG2      VAL  56 -13.798  -2.230  -2.230
 1187    H    MET  57           H        MET  57 -16.199  -3.809  -3.809
 1188    HA   MET  57           HA       MET  57 -15.380  -6.596  -6.596
 1189   1HB   MET  57          2HB       MET  57 -17.819  -4.893  -4.893
 1190   2HB   MET  57          1HB       MET  57 -17.731  -6.527  -6.527
 1191   1HG   MET  57          2HG       MET  57 -17.043  -6.100  -6.100
 1192   2HG   MET  57          1HG       MET  57 -18.741  -6.115  -6.115
 1193   1HE   MET  57          2HE       MET  57 -16.054  -7.580  -7.580
 1194   2HE   MET  57          1HE       MET  57 -16.480  -9.280  -9.280
 1195   3HE   MET  57          3HE       MET  57 -15.417  -8.768  -8.768
 1196    H    GLU  58           H        GLU  58 -16.087  -3.767  -3.767
 1197    HA   GLU  58           HA       GLU  58 -15.888  -4.971  -4.971
 1198   1HB   GLU  58          2HB       GLU  58 -15.756  -2.781  -2.781
 1199   2HB   GLU  58          1HB       GLU  58 -16.254  -2.479  -2.479
 1200   1HG   GLU  58          2HG       GLU  58 -13.980  -2.013  -2.013
 1201   2HG   GLU  58          1HG       GLU  58 -13.356  -2.545  -2.545
 1202    H    THR  59           H        THR  59 -13.221  -3.677  -3.677
 1203    HA   THR  59           HA       THR  59 -11.120  -4.499  -4.499
 1204    HB   THR  59           HB       THR  59 -10.939  -4.121  -4.121
 1205    HG1  THR  59           HG1      THR  59 -11.532  -2.141  -2.141
 1206   1HG2  THR  59          3HG2      THR  59  -8.945  -4.795  -4.795
 1207   2HG2  THR  59          2HG2      THR  59  -9.052  -3.162  -3.162
 1208   3HG2  THR  59          1HG2      THR  59  -8.728  -3.403  -3.403
 1209    H    LEU  60           H        LEU  60 -12.202  -5.857  -5.857
 1210    HA   LEU  60           HA       LEU  60 -10.643  -8.153  -8.153
 1211   1HB   LEU  60          2HB       LEU  60 -12.698  -7.137  -7.137
 1212   2HB   LEU  60          1HB       LEU  60 -13.588  -8.370  -8.370
 1213    HG   LEU  60           HG       LEU  60 -12.939  -9.527  -9.527
 1214   1HD1  LEU  60          3HD1      LEU  60 -12.191 -10.711 -10.711
 1215   2HD1  LEU  60          2HD1      LEU  60 -10.600  -9.971  -9.971
 1216   3HD1  LEU  60          1HD1      LEU  60 -11.193 -11.101 -11.101
 1217   1HD2  LEU  60          2HD2      LEU  60 -11.498  -7.680  -7.680
 1218   2HD2  LEU  60          1HD2      LEU  60 -10.763  -9.267  -9.267
 1219   3HD2  LEU  60          3HD2      LEU  60 -10.208  -8.224  -8.224
 1220    H    ASP  61           H        ASP  61 -13.306  -7.494  -7.494
 1221    HA   ASP  61           HA       ASP  61 -13.490 -10.279 -10.279
 1222   1HB   ASP  61          2HB       ASP  61 -15.038  -7.881  -7.881
 1223   2HB   ASP  61          1HB       ASP  61 -14.726  -8.323  -8.323
 1224    H    SER  62           H        SER  62 -12.268  -7.145  -7.145
 1225    HA   SER  62           HA       SER  62 -11.106  -8.370  -8.370
 1226   1HB   SER  62          2HB       SER  62 -10.297  -5.866  -5.866
 1227   2HB   SER  62          1HB       SER  62 -11.991  -6.248  -6.248
 1228    HG   SER  62           HG       SER  62 -11.300  -4.512  -4.512
 1229    H    ASP  63           H        ASP  63  -9.669  -5.985  -5.985
 1230    HA   ASP  63           HA       ASP  63  -7.442  -5.827  -5.827
 1231   1HB   ASP  63          2HB       ASP  63  -8.828  -7.509  -7.509
 1232   2HB   ASP  63          1HB       ASP  63  -7.866  -8.754  -8.754
 1233    H    GLY  64           H        GLY  64  -5.349  -7.514  -7.514
 1234   1HA   GLY  64          2HA       GLY  64  -4.168  -7.491  -7.491
 1235   2HA   GLY  64          1HA       GLY  64  -3.903  -8.852  -8.852
 1236    H    ASP  65           H        ASP  65  -6.698  -9.722  -9.722
 1237    HA   ASP  65           HA       ASP  65  -8.157 -11.033 -11.033
 1238   1HB   ASP  65          2HB       ASP  65  -7.858  -8.953  -8.953
 1239   2HB   ASP  65          1HB       ASP  65  -6.704  -9.921  -9.921
 1240    H    GLY  66           H        GLY  66  -7.575 -13.155 -13.155
 1241   1HA   GLY  66          2HA       GLY  66  -6.710 -15.246 -15.246
 1242   2HA   GLY  66          1HA       GLY  66  -5.688 -14.376 -14.376
 1243    H    GLU  67           H        GLU  67  -4.342 -12.614 -12.614
 1244    HA   GLU  67           HA       GLU  67  -3.143 -14.131 -14.131
 1245   1HB   GLU  67          2HB       GLU  67  -2.093 -14.769 -14.769
 1246   2HB   GLU  67          1HB       GLU  67  -1.475 -13.117 -13.117
 1247   1HG   GLU  67          2HG       GLU  67   0.270 -14.415 -14.415
 1248   2HG   GLU  67          1HG       GLU  67  -0.483 -13.544 -13.544
 1249    H    CYS  68           H        CYS  68  -3.192 -12.555 -12.555
 1250    HA   CYS  68           HA       CYS  68  -2.821  -9.704  -9.704
 1251   1HB   CYS  68          2HB       CYS  68  -3.444 -11.097 -11.097
 1252   2HB   CYS  68          1HB       CYS  68  -3.510  -9.355  -9.355
 1253    HG   CYS  68           HG       CYS  68  -5.278 -10.598 -10.598
 1254    H    ASP  69           H        ASP  69  -0.584  -9.527  -9.527
 1255    HA   ASP  69           HA       ASP  69   1.365 -10.679 -10.679
 1256   1HB   ASP  69          2HB       ASP  69   1.384  -9.216  -9.216
 1257   2HB   ASP  69          1HB       ASP  69   2.882  -9.426  -9.426
 1258    H    PHE  70           H        PHE  70   3.287  -9.218  -9.218
 1259    HA   PHE  70           HA       PHE  70   3.398  -7.660  -7.660
 1260   1HB   PHE  70          2HB       PHE  70   4.525  -7.321  -7.321
 1261   2HB   PHE  70          1HB       PHE  70   4.932  -6.134  -6.134
 1262    HD1  PHE  70           HD2      PHE  70   4.064  -9.478  -9.478
 1263    HD2  PHE  70           HD1      PHE  70   7.329  -6.954  -6.954
 1264    HE1  PHE  70           HE2      PHE  70   5.653 -11.072 -11.072
 1265    HE2  PHE  70           HE1      PHE  70   8.933  -8.539  -8.539
 1266    HZ   PHE  70           HZ       PHE  70   8.075 -10.611 -10.611
 1267    H    GLN  71           H        GLN  71   3.246  -5.547  -5.547
 1268    HA   GLN  71           HA       GLN  71   2.108  -3.356  -3.356
 1269   1HB   GLN  71          2HB       GLN  71   1.884  -2.382  -2.382
 1270   2HB   GLN  71          1HB       GLN  71   3.299  -3.431  -3.431
 1271   1HG   GLN  71          2HG       GLN  71   0.578  -4.461  -4.461
 1272   2HG   GLN  71          1HG       GLN  71   1.596  -3.597  -3.597
 1273   1HE2  GLN  71          2HE2      GLN  71   2.373  -7.280  -7.280
 1274   2HE2  GLN  71          1HE2      GLN  71   0.945  -6.378  -6.378
 1275    H    GLU  72           H        GLU  72   0.550  -6.214  -6.214
 1276    HA   GLU  72           HA       GLU  72  -2.108  -5.062  -5.062
 1277   1HB   GLU  72          2HB       GLU  72  -1.417  -7.946  -7.946
 1278   2HB   GLU  72          1HB       GLU  72  -2.707  -7.305  -7.305
 1279   1HG   GLU  72          2HG       GLU  72  -0.414  -6.194  -6.194
 1280   2HG   GLU  72          1HG       GLU  72   0.093  -7.828  -7.828
 1281    H    PHE  73           H        PHE  73  -0.490  -6.946  -6.946
 1282    HA   PHE  73           HA       PHE  73  -2.752  -7.043  -7.043
 1283   1HB   PHE  73          2HB       PHE  73  -1.001  -8.375  -8.375
 1284   2HB   PHE  73          1HB       PHE  73   0.225  -7.211  -7.211
 1285    HD1  PHE  73           HD1      PHE  73  -2.772  -6.466  -6.466
 1286    HD2  PHE  73           HD2      PHE  73   1.483  -7.067  -7.067
 1287    HE1  PHE  73           HE1      PHE  73  -2.620  -5.564  -5.564
 1288    HE2  PHE  73           HE2      PHE  73   1.626  -6.166  -6.166
 1289    HZ   PHE  73           HZ       PHE  73  -0.425  -5.415  -5.415
 1290    H    MET  74           H        MET  74  -0.081  -4.674  -4.674
 1291    HA   MET  74           HA       MET  74  -1.169  -2.829  -2.829
 1292   1HB   MET  74          2HB       MET  74   0.701  -2.501  -2.501
 1293   2HB   MET  74          1HB       MET  74   0.477  -1.295  -1.295
 1294   1HG   MET  74          2HG       MET  74   0.971  -3.519  -3.519
 1295   2HG   MET  74          1HG       MET  74   1.956  -3.853  -3.853
 1296   1HE   MET  74          3HE       MET  74   0.783  -1.285  -1.285
 1297   2HE   MET  74          2HE       MET  74   2.099  -0.134  -0.134
 1298   3HE   MET  74          1HE       MET  74   1.142  -0.088  -0.088
 1299    H    ALA  75           H        ALA  75  -1.710  -3.352  -3.352
 1300    HA   ALA  75           HA       ALA  75  -2.907  -0.863  -0.863
 1301   1HB   ALA  75          1HB       ALA  75  -2.854  -3.688  -3.688
 1302   2HB   ALA  75          3HB       ALA  75  -4.116  -2.654  -2.654
 1303   3HB   ALA  75          2HB       ALA  75  -2.420  -2.212  -2.212
 1304    H    PHE  76           H        PHE  76  -4.645  -3.933  -3.933
 1305    HA   PHE  76           HA       PHE  76  -7.195  -2.670  -2.670
 1306   1HB   PHE  76          2HB       PHE  76  -7.250  -4.886  -4.886
 1307   2HB   PHE  76          1HB       PHE  76  -5.956  -5.381  -5.381
 1308    HD1  PHE  76           HD2      PHE  76  -6.436  -5.511  -5.511
 1309    HD2  PHE  76           HD1      PHE  76  -9.530  -5.103  -5.103
 1310    HE1  PHE  76           HE2      PHE  76  -8.102  -6.318  -6.318
 1311    HE2  PHE  76           HE1      PHE  76 -11.205  -5.914  -5.914
 1312    HZ   PHE  76           HZ       PHE  76 -10.491  -6.521  -6.521
 1313    H    VAL  77           H        VAL  77  -4.883  -4.116  -4.116
 1314    HA   VAL  77           HA       VAL  77  -6.367  -3.639  -3.639
 1315    HB   VAL  77           HB       VAL  77  -3.976  -4.669  -4.669
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.056  -2.434  -2.434
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.225  -1.885  -1.885
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.131  -3.213  -3.213
 1319   1HG2  VAL  77          2HG2      VAL  77  -5.168  -3.413  -3.413
 1320   2HG2  VAL  77          1HG2      VAL  77  -4.605  -5.066  -5.066
 1321   3HG2  VAL  77          3HG2      VAL  77  -3.447  -3.784  -3.784
 1322    H    ALA  78           H        ALA  78  -4.456  -1.441  -1.441
 1323    HA   ALA  78           HA       ALA  78  -4.731   0.894   0.894
 1324   1HB   ALA  78          3HB       ALA  78  -4.250   0.523   0.523
 1325   2HB   ALA  78          2HB       ALA  78  -4.041   2.048   2.048
 1326   3HB   ALA  78          1HB       ALA  78  -3.006   0.672   0.672
 1327    H    MET  79           H        MET  79  -6.625  -0.556  -0.556
 1328    HA   MET  79           HA       MET  79  -8.497   1.617   1.617
 1329   1HB   MET  79          2HB       MET  79  -7.944  -0.963  -0.963
 1330   2HB   MET  79          1HB       MET  79  -9.608  -1.022  -1.022
 1331   1HG   MET  79          2HG       MET  79  -9.940  -0.188  -0.188
 1332   2HG   MET  79          1HG       MET  79  -9.782   1.316   1.316
 1333   1HE   MET  79          3HE       MET  79  -7.924  -1.439  -1.439
 1334   2HE   MET  79          2HE       MET  79  -8.837  -0.421  -0.421
 1335   3HE   MET  79          1HE       MET  79  -7.079  -0.462  -0.462
 1336    H    ILE  80           H        ILE  80  -8.563  -1.363  -1.363
 1337    HA   ILE  80           HA       ILE  80 -11.137  -0.824  -0.824
 1338    HB   ILE  80           HB       ILE  80  -8.847  -2.373  -2.373
 1339   1HG1  ILE  80          2HG1      ILE  80  -8.806  -3.137  -3.137
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.792  -4.304  -4.304
 1341   1HG2  ILE  80          2HG2      ILE  80 -11.802  -2.282  -2.282
 1342   2HG2  ILE  80          1HG2      ILE  80 -11.082  -3.892  -3.892
 1343   3HG2  ILE  80          3HG2      ILE  80 -10.585  -2.688  -2.688
 1344   1HD1  ILE  80          1HD1      ILE  80 -10.973  -1.946  -1.946
 1345   2HD1  ILE  80          3HD1      ILE  80 -10.763  -3.535  -3.535
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.830  -3.340  -3.340
 1347    H    THR  81           H        THR  81  -7.812  -0.662  -0.662
 1348    HA   THR  81           HA       THR  81  -8.061   0.454   0.454
 1349    HB   THR  81           HB       THR  81  -6.177   1.156   1.156
 1350    HG1  THR  81           HG1      THR  81  -5.871  -0.909  -0.909
 1351   1HG2  THR  81          2HG2      THR  81  -6.470   2.337   2.337
 1352   2HG2  THR  81          1HG2      THR  81  -4.905   1.537   1.537
 1353   3HG2  THR  81          3HG2      THR  81  -5.367   2.784   2.784
 1354    H    THR  82           H        THR  82  -8.562   2.115   2.115
 1355    HA   THR  82           HA       THR  82  -8.877   4.722   4.722
 1356    HB   THR  82           HB       THR  82  -9.808   5.061   5.061
 1357    HG1  THR  82           HG1      THR  82  -9.430   3.346   3.346
 1358   1HG2  THR  82          2HG2      THR  82  -7.002   4.949   4.949
 1359   2HG2  THR  82          1HG2      THR  82  -7.293   5.383   5.383
 1360   3HG2  THR  82          3HG2      THR  82  -7.973   6.376   6.376
 1361    H    ALA  83           H        ALA  83 -10.888   2.091   2.091
 1362    HA   ALA  83           HA       ALA  83 -13.376   3.655   3.655
 1363   1HB   ALA  83          2HB       ALA  83 -12.541   1.594   1.594
 1364   2HB   ALA  83          1HB       ALA  83 -13.498   0.746   0.746
 1365   3HB   ALA  83          3HB       ALA  83 -14.222   2.048   2.048
 1366    H    CYS  84           H        CYS  84 -11.230   2.345   2.345
 1367    HA   CYS  84           HA       CYS  84 -13.092   0.842   0.842
 1368   1HB   CYS  84          2HB       CYS  84 -10.864   0.013   0.013
 1369   2HB   CYS  84          1HB       CYS  84 -10.167   1.615   1.615
 1370    HG   CYS  84           HG       CYS  84 -10.122   0.163   0.163
 1371    H    HIS  85           H        HIS  85 -10.764   3.026   3.026
 1372    HA   HIS  85           HA       HIS  85 -12.850   4.990   4.990
 1373   1HB   HIS  85          2HB       HIS  85 -12.792   2.793   2.793
 1374   2HB   HIS  85          1HB       HIS  85 -11.394   3.572   3.572
 1375    HD1  HIS  85           HD1      HIS  85 -13.269   6.346   6.346
 1376    HD2  HIS  85           HD2      HIS  85 -13.821   3.499   3.499
 1377    HE1  HIS  85           HE1      HIS  85 -14.821   7.393   7.393
 1378    H    GLU  86           H        GLU  86 -11.106   5.583   5.583
 1379    HA   GLU  86           HA       GLU  86  -9.336   7.075   7.075
 1380   1HB   GLU  86          2HB       GLU  86  -8.010   5.817   5.817
 1381   2HB   GLU  86          1HB       GLU  86  -7.257   6.353   6.353
 1382   1HG   GLU  86          2HG       GLU  86  -9.239   4.066   4.066
 1383   2HG   GLU  86          1HG       GLU  86  -7.489   3.851   3.851
 1384    H    PHE  87           H        PHE  87  -7.509   8.180   8.180
 1385    HA   PHE  87           HA       PHE  87  -8.763  10.530  10.530
 1386   1HB   PHE  87          2HB       PHE  87  -6.470  10.508  10.508
 1387   2HB   PHE  87          1HB       PHE  87  -6.468   8.860   8.860
 1388    HD1  PHE  87           HD2      PHE  87  -8.528   9.623   9.623
 1389    HD2  PHE  87           HD1      PHE  87  -4.774  10.973  10.973
 1390    HE1  PHE  87           HE2      PHE  87  -8.144  10.486  10.486
 1391    HE2  PHE  87           HE1      PHE  87  -4.407  12.025  12.025
 1392    HZ   PHE  87           HZ       PHE  87  -6.074  11.755  11.755
 1393    H    PHE  88           H        PHE  88  -8.268   7.591   7.591
 1394    HA   PHE  88           HA       PHE  88  -9.514   8.421   8.421
 1395   1HB   PHE  88          2HB       PHE  88  -9.407   5.724   5.724
 1396   2HB   PHE  88          1HB       PHE  88  -9.969   5.962   5.962
 1397    HD1  PHE  88           HD2      PHE  88  -8.195   8.177   8.177
 1398    HD2  PHE  88           HD1      PHE  88  -7.322   4.643   4.643
 1399    HE1  PHE  88           HE2      PHE  88  -5.857   8.240   8.240
 1400    HE2  PHE  88           HE1      PHE  88  -4.986   4.703   4.703
 1401    HZ   PHE  88           HZ       PHE  88  -4.245   6.498   6.498
 1402    H    GLU  89           H        GLU  89 -11.555   8.842   8.842
 1403    HA   GLU  89           HA       GLU  89 -13.859   7.849   7.849
 1404   1HB   GLU  89          2HB       GLU  89 -12.800  10.281  10.281
 1405   2HB   GLU  89          1HB       GLU  89 -13.851  10.697  10.697
 1406   1HG   GLU  89          2HG       GLU  89 -14.959   9.018   9.018
 1407   2HG   GLU  89          1HG       GLU  89 -14.787  10.755  10.755
 1408    H    HIS  90           H        HIS  90 -12.773   9.619   9.619
 1409    HA   HIS  90           HA       HIS  90 -14.633   8.054   8.054
 1410   1HB   HIS  90          2HB       HIS  90 -16.039   9.846   9.846
 1411   2HB   HIS  90          1HB       HIS  90 -14.876  11.057  11.057
 1412    HD1  HIS  90           HD1      HIS  90 -17.313  11.737  11.737
 1413    HD2  HIS  90           HD2      HIS  90 -15.105   8.533   8.533
 1414    HE1  HIS  90           HE1      HIS  90 -18.100  11.375  11.375
 1415    H    GLU  91           H        GLU  91 -12.905   7.424   7.424
 1416    HA   GLU  91           HA       GLU  91 -10.733   9.067   9.067
 1417   1HB   GLU  91          2HB       GLU  91 -10.864   6.592   6.592
 1418   2HB   GLU  91          1HB       GLU  91 -12.100   6.729   6.729
 1419   1HG   GLU  91          2HG       GLU  91  -9.633   8.273   8.273
 1420   2HG   GLU  91          1HG       GLU  91  -9.429   6.522   6.522

  Start of MODEL   24
    1   1H    MET   0          3H        MET   0  -0.057  -9.747  -9.747
    2   2H    MET   0          2H        MET   0  -1.072 -10.255 -10.255
    3   3H    MET   0          1H        MET   0  -0.416 -11.394 -11.394
    4    HA   MET   0           HA       MET   0  -1.762 -10.640 -10.640
    5   1HB   MET   0          2HB       MET   0  -2.720 -11.480 -11.480
    6   2HB   MET   0          1HB       MET   0  -3.958 -10.528 -10.528
    7   1HG   MET   0          2HG       MET   0  -3.972 -11.983 -11.983
    8   2HG   MET   0          1HG       MET   0  -2.471 -12.764 -12.764
    9   1HE   MET   0          1HE       MET   0  -5.268 -11.564 -11.564
   10   2HE   MET   0          3HE       MET   0  -6.259 -12.152 -12.152
   11   3HE   MET   0          2HE       MET   0  -6.323 -12.958 -12.958
   12    H    SER   1           H        SER   1  -3.191  -8.890  -8.890
   13    HA   SER   1           HA       SER   1  -4.339  -6.767  -6.767
   14   1HB   SER   1          2HB       SER   1  -4.331  -5.676  -5.676
   15   2HB   SER   1          1HB       SER   1  -4.534  -7.407  -7.407
   16    HG   SER   1           HG       SER   1  -2.891  -7.056  -7.056
   17    H    GLU   2           H        GLU   2  -0.944  -7.314  -7.314
   18    HA   GLU   2           HA       GLU   2   0.355  -4.930  -4.930
   19   1HB   GLU   2          2HB       GLU   2   0.670  -7.397  -7.397
   20   2HB   GLU   2          1HB       GLU   2   1.699  -6.028  -6.028
   21   1HG   GLU   2          2HG       GLU   2   1.452  -7.287  -7.287
   22   2HG   GLU   2          1HG       GLU   2   2.828  -7.444  -7.444
   23    H    LEU   3           H        LEU   3  -1.682  -5.954  -5.954
   24    HA   LEU   3           HA       LEU   3  -0.895  -3.716  -3.716
   25   1HB   LEU   3          2HB       LEU   3  -3.366  -5.406  -5.406
   26   2HB   LEU   3          1HB       LEU   3  -2.373  -4.721  -4.721
   27    HG   LEU   3           HG       LEU   3  -1.718  -7.060  -7.060
   28   1HD1  LEU   3          3HD1      LEU   3  -3.002  -7.030  -7.030
   29   2HD1  LEU   3          2HD1      LEU   3  -1.334  -7.074  -7.074
   30   3HD1  LEU   3          1HD1      LEU   3  -1.934  -8.345  -8.345
   31   1HD2  LEU   3          2HD2      LEU   3   0.214  -5.446  -5.446
   32   2HD2  LEU   3          1HD2      LEU   3   0.522  -7.048  -7.048
   33   3HD2  LEU   3          3HD2      LEU   3   0.134  -5.701  -5.701
   34    H    GLU   4           H        GLU   4  -4.156  -4.609  -4.609
   35    HA   GLU   4           HA       GLU   4  -5.458  -2.188  -2.188
   36   1HB   GLU   4          2HB       GLU   4  -6.466  -4.268  -4.268
   37   2HB   GLU   4          1HB       GLU   4  -5.629  -4.019  -4.019
   38   1HG   GLU   4          2HG       GLU   4  -7.434  -1.888  -1.888
   39   2HG   GLU   4          1HG       GLU   4  -8.097  -3.225  -3.225
   40    H    LYS   5           H        LYS   5  -3.397  -3.066  -3.066
   41    HA   LYS   5           HA       LYS   5  -3.711  -0.563  -0.563
   42   1HB   LYS   5          2HB       LYS   5  -1.313  -2.419  -2.419
   43   2HB   LYS   5          1HB       LYS   5  -1.957  -1.456  -1.456
   44   1HG   LYS   5          2HG       LYS   5  -4.008  -3.236  -3.236
   45   2HG   LYS   5          1HG       LYS   5  -2.572  -4.147  -4.147
   46   1HD   LYS   5          2HD       LYS   5  -2.628  -3.303  -3.303
   47   2HD   LYS   5          1HD       LYS   5  -3.797  -2.052  -2.052
   48   1HE   LYS   5          2HE       LYS   5  -5.175  -4.282  -4.282
   49   2HE   LYS   5          1HE       LYS   5  -4.255  -4.911  -4.911
   50   1HZ   LYS   5          1HZ       LYS   5  -4.949  -2.968  -2.968
   51   2HZ   LYS   5          3HZ       LYS   5  -5.877  -2.421  -2.421
   52   3HZ   LYS   5          2HZ       LYS   5  -6.292  -3.867  -3.867
   53    H    ALA   6           H        ALA   6  -1.277  -1.763  -1.763
   54    HA   ALA   6           HA       ALA   6   0.272   0.676   0.676
   55   1HB   ALA   6          1HB       ALA   6  -0.161  -1.683  -1.683
   56   2HB   ALA   6          3HB       ALA   6   0.891  -0.346  -0.346
   57   3HB   ALA   6          2HB       ALA   6   1.266  -1.305  -1.305
   58    H    VAL   7           H        VAL   7  -2.469  -0.618  -0.618
   59    HA   VAL   7           HA       VAL   7  -2.881   1.360   1.360
   60    HB   VAL   7           HB       VAL   7  -4.207  -0.855  -0.855
   61   1HG1  VAL   7          2HG1      VAL   7  -5.879   1.603   1.603
   62   2HG1  VAL   7          1HG1      VAL   7  -6.575  -0.015  -0.015
   63   3HG1  VAL   7          3HG1      VAL   7  -5.865   0.521   0.521
   64   1HG2  VAL   7          2HG2      VAL   7  -3.657   0.096   0.096
   65   2HG2  VAL   7          1HG2      VAL   7  -4.429  -1.433  -1.433
   66   3HG2  VAL   7          3HG2      VAL   7  -5.415  -0.008  -0.008
   67    H    VAL   8           H        VAL   8  -4.094   1.194   1.194
   68    HA   VAL   8           HA       VAL   8  -5.488   3.641   3.641
   69    HB   VAL   8           HB       VAL   8  -3.761   2.112   2.112
   70   1HG1  VAL   8          1HG1      VAL   8  -5.232   4.712   4.712
   71   2HG1  VAL   8          3HG1      VAL   8  -5.139   3.586   3.586
   72   3HG1  VAL   8          2HG1      VAL   8  -3.660   4.232   4.232
   73   1HG2  VAL   8          2HG2      VAL   8  -6.759   2.496   2.496
   74   2HG2  VAL   8          1HG2      VAL   8  -5.857   1.042   1.042
   75   3HG2  VAL   8          3HG2      VAL   8  -5.977   1.543   1.543
   76    H    ALA   9           H        ALA   9  -2.024   2.948   2.948
   77    HA   ALA   9           HA       ALA   9  -1.194   5.668   5.668
   78   1HB   ALA   9          2HB       ALA   9  -0.052   3.009   3.009
   79   2HB   ALA   9          1HB       ALA   9   0.937   4.320   4.320
   80   3HB   ALA   9          3HB       ALA   9   0.522   4.286   4.286
   81    H    LEU  10           H        LEU  10  -1.597   3.707   3.707
   82    HA   LEU  10           HA       LEU  10  -0.334   5.464   5.464
   83   1HB   LEU  10          2HB       LEU  10  -2.862   3.841   3.841
   84   2HB   LEU  10          1HB       LEU  10  -1.670   4.310   4.310
   85    HG   LEU  10           HG       LEU  10  -1.306   2.357   2.357
   86   1HD1  LEU  10          2HD1      LEU  10  -2.316   1.731   1.731
   87   2HD1  LEU  10          1HD1      LEU  10  -0.672   1.942   1.942
   88   3HD1  LEU  10          3HD1      LEU  10  -1.009   0.735   0.735
   89   1HD2  LEU  10          3HD2      LEU  10   0.715   3.795   3.795
   90   2HD2  LEU  10          2HD2      LEU  10   0.741   3.526   3.526
   91   3HD2  LEU  10          1HD2      LEU  10   1.061   2.188   2.188
   92    H    ILE  11           H        ILE  11  -3.532   5.557   5.557
   93    HA   ILE  11           HA       ILE  11  -4.698   7.592   7.592
   94    HB   ILE  11           HB       ILE  11  -6.328   7.702   7.702
   95   1HG1  ILE  11          2HG1      ILE  11  -5.554   6.719   6.719
   96   2HG1  ILE  11          1HG1      ILE  11  -4.031   7.427   7.427
   97   1HG2  ILE  11          2HG2      ILE  11  -5.902   5.392   5.392
   98   2HG2  ILE  11          1HG2      ILE  11  -5.083   5.016   5.016
   99   3HG2  ILE  11          3HG2      ILE  11  -6.792   5.453   5.453
  100   1HD1  ILE  11          1HD1      ILE  11  -6.156   9.206   9.206
  101   2HD1  ILE  11          3HD1      ILE  11  -6.324   8.793   8.793
  102   3HD1  ILE  11          2HD1      ILE  11  -4.816   9.496   9.496
  103    H    ASP  12           H        ASP  12  -2.412   7.616   7.616
  104    HA   ASP  12           HA       ASP  12  -2.427  10.478  10.478
  105   1HB   ASP  12          2HB       ASP  12  -1.224   8.037   8.037
  106   2HB   ASP  12          1HB       ASP  12   0.071   9.193   9.193
  107    H    VAL  13           H        VAL  13  -0.721   8.197   8.197
  108    HA   VAL  13           HA       VAL  13   1.249   9.979   9.979
  109    HB   VAL  13           HB       VAL  13  -0.057   7.567   7.567
  110   1HG1  VAL  13          3HG1      VAL  13   2.674   8.867   8.867
  111   2HG1  VAL  13          2HG1      VAL  13   2.301   7.284   7.284
  112   3HG1  VAL  13          1HG1      VAL  13   1.474   8.721   8.721
  113   1HG2  VAL  13          1HG2      VAL  13   2.096   7.734   7.734
  114   2HG2  VAL  13          3HG2      VAL  13   0.545   6.905   6.905
  115   3HG2  VAL  13          2HG2      VAL  13   1.788   6.288   6.288
  116    H    PHE  14           H        PHE  14  -1.783   8.739   8.739
  117    HA   PHE  14           HA       PHE  14  -1.653  10.708  10.708
  118   1HB   PHE  14          2HB       PHE  14  -3.543   8.617   8.617
  119   2HB   PHE  14          1HB       PHE  14  -4.374  10.084  10.084
  120    HD1  PHE  14           HD2      PHE  14  -1.168   8.400   8.400
  121    HD2  PHE  14           HD1      PHE  14  -4.862  10.016  10.016
  122    HE1  PHE  14           HE2      PHE  14  -0.444   8.069   8.069
  123    HE2  PHE  14           HE1      PHE  14  -4.155   9.662   9.662
  124    HZ   PHE  14           HZ       PHE  14  -1.938   8.671   8.671
  125    H    HIS  15           H        HIS  15  -3.011  10.785  10.785
  126    HA   HIS  15           HA       HIS  15  -4.691  13.018  13.018
  127   1HB   HIS  15          2HB       HIS  15  -4.306  11.850  11.850
  128   2HB   HIS  15          1HB       HIS  15  -2.566  12.120  12.120
  129    HD1  HIS  15           HD1      HIS  15  -5.520  13.453  13.453
  130    HD2  HIS  15           HD2      HIS  15  -1.983  15.108  15.108
  131    HE1  HIS  15           HE1      HIS  15  -5.314  15.744  15.744
  132    H    GLN  16           H        GLN  16  -1.126  12.937  12.937
  133    HA   GLN  16           HA       GLN  16  -0.981  15.870  15.870
  134   1HB   GLN  16          2HB       GLN  16   0.595  14.978  14.978
  135   2HB   GLN  16          1HB       GLN  16   0.972  13.608  13.608
  136   1HG   GLN  16          2HG       GLN  16   1.973  15.182  15.182
  137   2HG   GLN  16          1HG       GLN  16   1.648  16.518  16.518
  138   1HE2  GLN  16          2HE2      GLN  16   4.231  15.572  15.572
  139   2HE2  GLN  16          1HE2      GLN  16   2.736  16.368  16.368
  140    H    TYR  17           H        TYR  17   0.379  12.968  12.968
  141    HA   TYR  17           HA       TYR  17   1.370  14.102  14.102
  142   1HB   TYR  17          2HB       TYR  17   0.125  11.495  11.495
  143   2HB   TYR  17          1HB       TYR  17   0.530  11.757  11.757
  144    HD1  TYR  17           HD2      TYR  17   1.888  11.648  11.648
  145    HD2  TYR  17           HD1      TYR  17   2.800  11.953  11.953
  146    HE1  TYR  17           HE2      TYR  17   4.280  11.225  11.225
  147    HE2  TYR  17           HE1      TYR  17   5.196  11.574  11.574
  148    HH   TYR  17           HH       TYR  17   6.291  10.465  10.465
  149    H    SER  18           H        SER  18  -1.746  12.372  12.372
  150    HA   SER  18           HA       SER  18  -2.564  13.938  13.938
  151   1HB   SER  18          2HB       SER  18  -4.683  12.647  12.647
  152   2HB   SER  18          1HB       SER  18  -3.267  11.611  11.611
  153    HG   SER  18           HG       SER  18  -5.029  12.210  12.210
  154    H    GLY  19           H        GLY  19  -2.442  14.865  14.865
  155   1HA   GLY  19          2HA       GLY  19  -4.846  16.617  16.617
  156   2HA   GLY  19          1HA       GLY  19  -4.373  15.973  15.973
  157    H    ARG  20           H        ARG  20  -1.871  16.535  16.535
  158    HA   ARG  20           HA       ARG  20  -1.462  19.048  19.048
  159   1HB   ARG  20          2HB       ARG  20   0.826  18.581  18.581
  160   2HB   ARG  20          1HB       ARG  20   0.146  16.968  16.968
  161   1HG   ARG  20          2HG       ARG  20   0.302  17.336  17.336
  162   2HG   ARG  20          1HG       ARG  20   1.218  18.798  18.798
  163   1HD   ARG  20          2HD       ARG  20   2.612  17.075  17.075
  164   2HD   ARG  20          1HD       ARG  20   2.041  15.945  15.945
  165    HE   ARG  20           HE       ARG  20   2.879  18.175  18.175
  166   1HH1  ARG  20          1HH2      ARG  20   4.156  15.288  15.288
  167   2HH1  ARG  20          2HH2      ARG  20   5.809  15.777  15.777
  168   1HH2  ARG  20          2HH1      ARG  20   5.066  19.159  19.159
  169   2HH2  ARG  20          1HH1      ARG  20   6.325  17.969  17.969
  170    H    GLU  21           H        GLU  21  -1.233  18.177  18.177
  171    HA   GLU  21           HA       GLU  21  -1.823  20.934  20.934
  172   1HB   GLU  21          2HB       GLU  21   0.828  20.230  20.230
  173   2HB   GLU  21          1HB       GLU  21   0.707  20.147  20.147
  174   1HG   GLU  21          2HG       GLU  21  -0.475  22.438  22.438
  175   2HG   GLU  21          1HG       GLU  21   0.168  22.504  22.504
  176    H    GLY  22           H        GLY  22  -0.550  17.790  17.790
  177   1HA   GLY  22          2HA       GLY  22  -1.236  17.995  17.995
  178   2HA   GLY  22          1HA       GLY  22  -1.082  16.473  16.473
  179    H    ASP  23           H        ASP  23  -3.340  19.072  19.072
  180    HA   ASP  23           HA       ASP  23  -5.707  19.086  19.086
  181   1HB   ASP  23          2HB       ASP  23  -5.329  16.102  16.102
  182   2HB   ASP  23          1HB       ASP  23  -6.595  17.118  17.118
  183    H    LYS  24           H        LYS  24  -7.519  17.095  17.095
  184    HA   LYS  24           HA       LYS  24  -7.135  17.347  17.347
  185   1HB   LYS  24          2HB       LYS  24  -9.296  17.320  17.320
  186   2HB   LYS  24          1HB       LYS  24  -9.567  16.054  16.054
  187   1HG   LYS  24          2HG       LYS  24 -10.023  17.558  17.558
  188   2HG   LYS  24          1HG       LYS  24  -8.591  18.512  18.512
  189   1HD   LYS  24          2HD       LYS  24  -9.923  20.060  20.060
  190   2HD   LYS  24          1HD       LYS  24 -10.413  18.866  18.866
  191   1HE   LYS  24          2HE       LYS  24 -11.692  18.865  18.865
  192   2HE   LYS  24          1HE       LYS  24 -12.283  19.950  19.950
  193   1HZ   LYS  24          3HZ       LYS  24 -12.153  17.867  17.867
  194   2HZ   LYS  24          2HZ       LYS  24 -12.136  17.000  17.000
  195   3HZ   LYS  24          1HZ       LYS  24 -13.457  17.998  17.998
  196    H    HIS  25           H        HIS  25  -7.658  14.815  14.815
  197    HA   HIS  25           HA       HIS  25  -6.367  12.870  12.870
  198   1HB   HIS  25          2HB       HIS  25  -9.155  12.716  12.716
  199   2HB   HIS  25          1HB       HIS  25  -8.318  11.306  11.306
  200    HD1  HIS  25           HD1      HIS  25 -10.784  13.419  13.419
  201    HD2  HIS  25           HD2      HIS  25  -7.052  12.478  12.478
  202    HE1  HIS  25           HE1      HIS  25 -10.892  14.008  14.008
  203    H    LYS  26           H        LYS  26  -5.032  13.785  13.785
  204    HA   LYS  26           HA       LYS  26  -4.921  11.492  11.492
  205   1HB   LYS  26          2HB       LYS  26  -6.574  13.409  13.409
  206   2HB   LYS  26          1HB       LYS  26  -5.092  14.252  14.252
  207   1HG   LYS  26          2HG       LYS  26  -5.139  11.463  11.463
  208   2HG   LYS  26          1HG       LYS  26  -6.442  12.429  12.429
  209   1HD   LYS  26          2HD       LYS  26  -4.794  14.133  14.133
  210   2HD   LYS  26          1HD       LYS  26  -3.497  13.134  13.134
  211   1HE   LYS  26          2HE       LYS  26  -3.410  12.235  12.235
  212   2HE   LYS  26          1HE       LYS  26  -4.873  11.351  11.351
  213   1HZ   LYS  26          1HZ       LYS  26  -4.847  14.082  14.082
  214   2HZ   LYS  26          3HZ       LYS  26  -5.214  12.668  12.668
  215   3HZ   LYS  26          2HZ       LYS  26  -6.224  13.176  13.176
  216    H    LEU  27           H        LEU  27  -2.969  11.906  11.906
  217    HA   LEU  27           HA       LEU  27  -0.899  13.710  13.710
  218   1HB   LEU  27          2HB       LEU  27  -1.202  10.959  10.959
  219   2HB   LEU  27          1HB       LEU  27   0.224  11.077  11.077
  220    HG   LEU  27           HG       LEU  27   0.886  13.082  13.082
  221   1HD1  LEU  27          3HD1      LEU  27  -1.361  11.843  11.843
  222   2HD1  LEU  27          2HD1      LEU  27  -0.024  12.636  12.636
  223   3HD1  LEU  27          1HD1      LEU  27  -1.024  13.549  13.549
  224   1HD2  LEU  27          2HD2      LEU  27   0.951  10.171  10.171
  225   2HD2  LEU  27          1HD2      LEU  27   2.281  11.253  11.253
  226   3HD2  LEU  27          3HD2      LEU  27   1.560  11.318  11.318
  227    H    LYS  28           H        LYS  28   1.183  13.287  13.287
  228    HA   LYS  28           HA       LYS  28   0.359  12.478  12.478
  229   1HB   LYS  28          2HB       LYS  28   1.764  15.017  15.017
  230   2HB   LYS  28          1HB       LYS  28   1.516  14.547  14.547
  231   1HG   LYS  28          2HG       LYS  28  -0.377  15.822  15.822
  232   2HG   LYS  28          1HG       LYS  28  -1.016  14.303  14.303
  233   1HD   LYS  28          2HD       LYS  28  -1.045  15.057  15.057
  234   2HD   LYS  28          1HD       LYS  28   0.434  15.995  15.995
  235   1HE   LYS  28          2HE       LYS  28  -1.274  17.365  17.365
  236   2HE   LYS  28          1HE       LYS  28  -2.373  16.839  16.839
  237   1HZ   LYS  28          3HZ       LYS  28  -0.778  17.639  17.639
  238   2HZ   LYS  28          2HZ       LYS  28   0.256  18.169  18.169
  239   3HZ   LYS  28          1HZ       LYS  28  -1.262  18.901  18.901
  240    H    LYS  29           H        LYS  29   2.133  11.755  11.755
  241    HA   LYS  29           HA       LYS  29   4.100  10.135  10.135
  242   1HB   LYS  29          2HB       LYS  29   4.385  12.144  12.144
  243   2HB   LYS  29          1HB       LYS  29   5.305  10.647  10.647
  244   1HG   LYS  29          2HG       LYS  29   3.659   9.624   9.624
  245   2HG   LYS  29          1HG       LYS  29   2.628   9.865   9.865
  246   1HD   LYS  29          2HD       LYS  29   1.492  10.814  10.814
  247   2HD   LYS  29          1HD       LYS  29   2.054  12.147  12.147
  248   1HE   LYS  29          2HE       LYS  29   4.216  11.951  11.951
  249   2HE   LYS  29          1HE       LYS  29   3.029  11.267  11.267
  250   1HZ   LYS  29          2HZ       LYS  29   2.559  13.766  13.766
  251   2HZ   LYS  29          1HZ       LYS  29   3.212  13.758  13.758
  252   3HZ   LYS  29          3HZ       LYS  29   1.648  13.158  13.158
  253    H    SER  30           H        SER  30   4.190  13.665  13.665
  254    HA   SER  30           HA       SER  30   6.997  13.897  13.897
  255   1HB   SER  30          2HB       SER  30   4.570  15.616  15.616
  256   2HB   SER  30          1HB       SER  30   5.887  16.227  16.227
  257    HG   SER  30           HG       SER  30   5.761  16.483  16.483
  258    H    GLU  31           H        GLU  31   3.966  14.391  14.391
  259    HA   GLU  31           HA       GLU  31   5.232  14.622  14.622
  260   1HB   GLU  31          2HB       GLU  31   2.523  14.012  14.012
  261   2HB   GLU  31          1HB       GLU  31   2.801  13.637  13.637
  262   1HG   GLU  31          2HG       GLU  31   3.528  15.940  15.940
  263   2HG   GLU  31          1HG       GLU  31   3.337  16.326  16.326
  264    H    LEU  32           H        LEU  32   3.915  11.825  11.825
  265    HA   LEU  32           HA       LEU  32   4.198   9.765   9.765
  266   1HB   LEU  32          2HB       LEU  32   3.490   9.833   9.833
  267   2HB   LEU  32          1HB       LEU  32   5.200   9.563   9.563
  268    HG   LEU  32           HG       LEU  32   5.154   7.521   7.521
  269   1HD1  LEU  32          1HD1      LEU  32   2.750   8.681   8.681
  270   2HD1  LEU  32          3HD1      LEU  32   2.301   7.176   7.176
  271   3HD1  LEU  32          2HD1      LEU  32   3.486   7.159   7.159
  272   1HD2  LEU  32          3HD2      LEU  32   3.608   7.941   7.941
  273   2HD2  LEU  32          2HD2      LEU  32   4.726   6.638   6.638
  274   3HD2  LEU  32          1HD2      LEU  32   3.042   6.550   6.550
  275    H    LYS  33           H        LYS  33   6.738  11.130  11.130
  276    HA   LYS  33           HA       LYS  33   8.939   9.590   9.590
  277   1HB   LYS  33          2HB       LYS  33   8.747  11.341  11.341
  278   2HB   LYS  33          1HB       LYS  33   8.949  12.563  12.563
  279   1HG   LYS  33          2HG       LYS  33  11.089  11.882  11.882
  280   2HG   LYS  33          1HG       LYS  33  11.124  11.720  11.720
  281   1HD   LYS  33          2HD       LYS  33  10.882   9.370   9.370
  282   2HD   LYS  33          1HD       LYS  33  10.325   9.409   9.409
  283   1HE   LYS  33          2HE       LYS  33  13.081  10.422  10.422
  284   2HE   LYS  33          1HE       LYS  33  12.797   8.688   8.688
  285   1HZ   LYS  33          1HZ       LYS  33  11.447  10.252  10.252
  286   2HZ   LYS  33          3HZ       LYS  33  13.111  10.584  10.584
  287   3HZ   LYS  33          2HZ       LYS  33  12.565   8.989   8.989
  288    H    GLU  34           H        GLU  34   7.740  12.728  12.728
  289    HA   GLU  34           HA       GLU  34   9.465  13.101  13.101
  290   1HB   GLU  34          2HB       GLU  34   7.086  14.158  14.158
  291   2HB   GLU  34          1HB       GLU  34   6.616  13.533  13.533
  292   1HG   GLU  34          2HG       GLU  34   7.497  15.416  15.416
  293   2HG   GLU  34          1HG       GLU  34   9.084  14.788  14.788
  294    H    LEU  35           H        LEU  35   6.504  11.148  11.148
  295    HA   LEU  35           HA       LEU  35   6.416  10.223  10.223
  296   1HB   LEU  35          2HB       LEU  35   4.852  10.029  10.029
  297   2HB   LEU  35          1HB       LEU  35   5.629   8.453   8.453
  298    HG   LEU  35           HG       LEU  35   4.708   9.211   9.211
  299   1HD1  LEU  35          2HD1      LEU  35   2.946   9.822   9.822
  300   2HD1  LEU  35          1HD1      LEU  35   2.556   8.121   8.121
  301   3HD1  LEU  35          3HD1      LEU  35   2.457   9.265   9.265
  302   1HD2  LEU  35          1HD2      LEU  35   5.735   7.013   7.013
  303   2HD2  LEU  35          3HD2      LEU  35   4.141   6.855   6.855
  304   3HD2  LEU  35          2HD2      LEU  35   4.329   6.702   6.702
  305    H    ILE  36           H        ILE  36   8.458   9.203   9.203
  306    HA   ILE  36           HA       ILE  36   9.309   6.778   6.778
  307    HB   ILE  36           HB       ILE  36  10.870   7.777   7.777
  308   1HG1  ILE  36          2HG1      ILE  36   8.719   8.535   8.535
  309   2HG1  ILE  36          1HG1      ILE  36   9.046   6.990   6.990
  310   1HG2  ILE  36          1HG2      ILE  36  11.058   5.533   5.533
  311   2HG2  ILE  36          3HG2      ILE  36   9.433   5.177   5.177
  312   3HG2  ILE  36          2HG2      ILE  36  10.729   5.462   5.462
  313   1HD1  ILE  36          2HD1      ILE  36   7.810   6.112   6.112
  314   2HD1  ILE  36          1HD1      ILE  36   7.019   7.672   7.672
  315   3HD1  ILE  36          3HD1      ILE  36   6.949   6.489   6.489
  316    H    ASN  37           H        ASN  37  10.710   9.909   9.909
  317    HA   ASN  37           HA       ASN  37  13.237   9.425   9.425
  318   1HB   ASN  37          2HB       ASN  37  13.802  11.196  11.196
  319   2HB   ASN  37          1HB       ASN  37  12.164  11.140  11.140
  320   1HD2  ASN  37          2HD2      ASN  37  11.511  14.354  14.354
  321   2HD2  ASN  37          1HD2      ASN  37  11.308  13.223  13.223
  322    H    ASN  38           H        ASN  38  10.169  10.178  10.178
  323    HA   ASN  38           HA       ASN  38  11.047  11.964  11.964
  324   1HB   ASN  38          2HB       ASN  38   8.568  10.692  10.692
  325   2HB   ASN  38          1HB       ASN  38   8.594  11.002  11.002
  326   1HD2  ASN  38          2HD2      ASN  38   7.347  14.177  14.177
  327   2HD2  ASN  38          1HD2      ASN  38   6.811  12.627  12.627
  328    H    GLU  39           H        GLU  39  10.643   8.550   8.550
  329    HA   GLU  39           HA       GLU  39  11.427   7.945   7.945
  330   1HB   GLU  39          2HB       GLU  39   9.968   6.184   6.184
  331   2HB   GLU  39          1HB       GLU  39  10.093   5.968   5.968
  332   1HG   GLU  39          2HG       GLU  39   8.106   7.025   7.025
  333   2HG   GLU  39          1HG       GLU  39   9.008   8.503   8.503
  334    H    LEU  40           H        LEU  40  11.670   6.875   6.875
  335    HA   LEU  40           HA       LEU  40  14.058   5.231   5.231
  336   1HB   LEU  40          2HB       LEU  40  12.314   5.735   5.735
  337   2HB   LEU  40          1HB       LEU  40  13.759   4.726   4.726
  338    HG   LEU  40           HG       LEU  40  12.015   4.057   4.057
  339   1HD1  LEU  40          1HD1      LEU  40  10.982   3.871   3.871
  340   2HD1  LEU  40          3HD1      LEU  40  10.349   2.888   2.888
  341   3HD1  LEU  40          2HD1      LEU  40  10.199   4.645   4.645
  342   1HD2  LEU  40          3HD2      LEU  40  13.962   2.730   2.730
  343   2HD2  LEU  40          2HD2      LEU  40  12.466   1.803   1.803
  344   3HD2  LEU  40          1HD2      LEU  40  13.004   2.410   2.410
  345    H    SER  41           H        SER  41  15.014   7.588   7.588
  346    HA   SER  41           HA       SER  41  15.704   9.580   9.580
  347   1HB   SER  41          2HB       SER  41  16.786   8.335   8.335
  348   2HB   SER  41          1HB       SER  41  18.103   8.851   8.851
  349    HG   SER  41           HG       SER  41  17.662  10.818  10.818
  350    H    HIS  42           H        HIS  42  16.858   6.254   6.254
  351    HA   HIS  42           HA       HIS  42  19.134   6.357   6.357
  352   1HB   HIS  42          2HB       HIS  42  16.703   4.560   4.560
  353   2HB   HIS  42          1HB       HIS  42  18.080   4.223   4.223
  354    HD1  HIS  42           HD1      HIS  42  19.150   2.264   2.264
  355    HD2  HIS  42           HD2      HIS  42  18.354   5.436   5.436
  356    HE1  HIS  42           HE1      HIS  42  20.224   1.670   1.670
  357    H    PHE  43           H        PHE  43  15.742   6.695   6.695
  358    HA   PHE  43           HA       PHE  43  16.399   6.963   6.963
  359   1HB   PHE  43          2HB       PHE  43  13.981   7.690   7.690
  360   2HB   PHE  43          1HB       PHE  43  14.011   7.774   7.774
  361    HD1  PHE  43           HD1      PHE  43  15.343   5.477   5.477
  362    HD2  PHE  43           HD2      PHE  43  12.863   5.830   5.830
  363    HE1  PHE  43           HE1      PHE  43  14.836   3.048   3.048
  364    HE2  PHE  43           HE2      PHE  43  12.355   3.396   3.396
  365    HZ   PHE  43           HZ       PHE  43  13.344   2.008   2.008
  366    H    LEU  44           H        LEU  44  16.490   9.155   9.155
  367    HA   LEU  44           HA       LEU  44  16.033  11.669  11.669
  368   1HB   LEU  44          2HB       LEU  44  16.863  10.829  10.829
  369   2HB   LEU  44          1HB       LEU  44  18.458  11.173  11.173
  370    HG   LEU  44           HG       LEU  44  17.796  13.474  13.474
  371   1HD1  LEU  44          1HD1      LEU  44  15.120  12.358  12.358
  372   2HD1  LEU  44          3HD1      LEU  44  15.434  14.024  14.024
  373   3HD1  LEU  44          2HD1      LEU  44  15.560  13.561  13.561
  374   1HD2  LEU  44          1HD2      LEU  44  17.305  12.402  12.402
  375   2HD2  LEU  44          3HD2      LEU  44  18.673  13.342  13.342
  376   3HD2  LEU  44          2HD2      LEU  44  17.115  14.124  14.124
  377    H    GLU  45           H        GLU  45  18.823   9.554   9.554
  378    HA   GLU  45           HA       GLU  45  20.276  11.227  11.227
  379   1HB   GLU  45          2HB       GLU  45  20.797   9.313   9.313
  380   2HB   GLU  45          1HB       GLU  45  21.429   8.658   8.658
  381   1HG   GLU  45          2HG       GLU  45  23.210  10.019  10.019
  382   2HG   GLU  45          1HG       GLU  45  22.128  11.401  11.401
  383    H    GLU  46           H        GLU  46  18.313   8.352   8.352
  384    HA   GLU  46           HA       GLU  46  17.430   6.865   6.865
  385   1HB   GLU  46          2HB       GLU  46  16.867   9.195   9.195
  386   2HB   GLU  46          1HB       GLU  46  18.280   9.063   9.063
  387   1HG   GLU  46          2HG       GLU  46  17.343   7.335   7.335
  388   2HG   GLU  46          1HG       GLU  46  16.216   6.877   6.877
  389    H    ILE  47           H        ILE  47  20.566   7.310   7.310
  390    HA   ILE  47           HA       ILE  47  21.493   5.839   5.839
  391    HB   ILE  47           HB       ILE  47  22.356   8.150   8.150
  392   1HG1  ILE  47          2HG1      ILE  47  23.425   6.853   6.853
  393   2HG1  ILE  47          1HG1      ILE  47  24.641   7.567   7.567
  394   1HG2  ILE  47          3HG2      ILE  47  22.570   7.316   7.316
  395   2HG2  ILE  47          2HG2      ILE  47  23.873   6.259   6.259
  396   3HG2  ILE  47          1HG2      ILE  47  24.066   8.011   8.011
  397   1HD1  ILE  47          1HD1      ILE  47  24.415   5.278   5.278
  398   2HD1  ILE  47          3HD1      ILE  47  23.799   4.700   4.700
  399   3HD1  ILE  47          2HD1      ILE  47  25.424   5.378   5.378
  400    H    LYS  48           H        LYS  48  21.446   5.866   5.866
  401    HA   LYS  48           HA       LYS  48  23.174   3.778   3.778
  402   1HB   LYS  48          2HB       LYS  48  20.387   4.090   4.090
  403   2HB   LYS  48          1HB       LYS  48  21.851   3.594   3.594
  404   1HG   LYS  48          2HG       LYS  48  21.061   6.349   6.349
  405   2HG   LYS  48          1HG       LYS  48  21.560   5.830   5.830
  406   1HD   LYS  48          2HD       LYS  48  23.845   5.504   5.504
  407   2HD   LYS  48          1HD       LYS  48  23.385   5.847   5.847
  408   1HE   LYS  48          2HE       LYS  48  24.012   7.993   7.993
  409   2HE   LYS  48          1HE       LYS  48  22.426   8.076   8.076
  410   1HZ   LYS  48          3HZ       LYS  48  24.674   6.831   6.831
  411   2HZ   LYS  48          2HZ       LYS  48  24.601   8.529   8.529
  412   3HZ   LYS  48          1HZ       LYS  48  23.325   7.645   7.645
  413    H    GLU  49           H        GLU  49  20.185   3.661   3.661
  414    HA   GLU  49           HA       GLU  49  20.459   0.692   0.692
  415   1HB   GLU  49          2HB       GLU  49  17.918   0.645   0.645
  416   2HB   GLU  49          1HB       GLU  49  18.787   1.028   1.028
  417   1HG   GLU  49          2HG       GLU  49  18.483   3.521   3.521
  418   2HG   GLU  49          1HG       GLU  49  17.166   2.838   2.838
  419    H    GLN  50           H        GLN  50  21.292   1.132   1.132
  420    HA   GLN  50           HA       GLN  50  19.946   2.756   2.756
  421   1HB   GLN  50          2HB       GLN  50  21.913   0.462   0.462
  422   2HB   GLN  50          1HB       GLN  50  21.377   1.285   1.285
  423   1HG   GLN  50          2HG       GLN  50  22.061   3.468   3.468
  424   2HG   GLN  50          1HG       GLN  50  22.860   2.473   2.473
  425   1HE2  GLN  50          2HE2      GLN  50  24.496   2.805   2.805
  426   2HE2  GLN  50          1HE2      GLN  50  22.948   3.428   3.428
  427    H    GLU  51           H        GLU  51  20.140  -0.834  -0.834
  428    HA   GLU  51           HA       GLU  51  18.240  -1.432  -1.432
  429   1HB   GLU  51          2HB       GLU  51  19.669  -3.026  -3.026
  430   2HB   GLU  51          1HB       GLU  51  18.633  -2.805  -2.805
  431   1HG   GLU  51          2HG       GLU  51  16.682  -3.559  -3.559
  432   2HG   GLU  51          1HG       GLU  51  17.814  -3.931  -3.931
  433    H    VAL  52           H        VAL  52  17.633  -0.458  -0.458
  434    HA   VAL  52           HA       VAL  52  14.754  -0.909  -0.909
  435    HB   VAL  52           HB       VAL  52  16.357   0.859   0.859
  436   1HG1  VAL  52          3HG1      VAL  52  13.587   0.129   0.129
  437   2HG1  VAL  52          2HG1      VAL  52  14.249  -0.592  -0.592
  438   3HG1  VAL  52          1HG1      VAL  52  14.359   1.150   1.150
  439   1HG2  VAL  52          2HG2      VAL  52  16.991  -1.729  -1.729
  440   2HG2  VAL  52          1HG2      VAL  52  17.061  -0.996  -0.996
  441   3HG2  VAL  52          3HG2      VAL  52  15.658  -1.955  -1.955
  442    H    VAL  53           H        VAL  53  16.976   1.706   1.706
  443    HA   VAL  53           HA       VAL  53  15.014   3.830   3.830
  444    HB   VAL  53           HB       VAL  53  17.770   3.346   3.346
  445   1HG1  VAL  53          3HG1      VAL  53  16.019   5.820   5.820
  446   2HG1  VAL  53          2HG1      VAL  53  17.748   5.841   5.841
  447   3HG1  VAL  53          1HG1      VAL  53  16.650   4.939   4.939
  448   1HG2  VAL  53          1HG2      VAL  53  17.037   3.825   3.825
  449   2HG2  VAL  53          3HG2      VAL  53  18.598   4.273   4.273
  450   3HG2  VAL  53          2HG2      VAL  53  17.302   5.463   5.463
  451    H    ASP  54           H        ASP  54  16.150   1.221   1.221
  452    HA   ASP  54           HA       ASP  54  15.047   2.132   2.132
  453   1HB   ASP  54          2HB       ASP  54  16.739   0.529   0.529
  454   2HB   ASP  54          1HB       ASP  54  16.170  -0.370  -0.370
  455    H    LYS  55           H        LYS  55  14.005  -0.088  -0.088
  456    HA   LYS  55           HA       LYS  55  11.402  -0.613  -0.613
  457   1HB   LYS  55          2HB       LYS  55  12.853  -1.210  -1.210
  458   2HB   LYS  55          1HB       LYS  55  11.120  -1.528  -1.528
  459   1HG   LYS  55          2HG       LYS  55  11.704  -3.503  -3.503
  460   2HG   LYS  55          1HG       LYS  55  12.076  -2.558  -2.558
  461   1HD   LYS  55          2HD       LYS  55  14.395  -2.287  -2.287
  462   2HD   LYS  55          1HD       LYS  55  14.038  -3.195  -3.195
  463   1HE   LYS  55          2HE       LYS  55  13.148  -4.754  -4.754
  464   2HE   LYS  55          1HE       LYS  55  14.820  -4.241  -4.241
  465   1HZ   LYS  55          2HZ       LYS  55  14.045  -5.144  -5.144
  466   2HZ   LYS  55          1HZ       LYS  55  14.358  -6.307  -6.307
  467   3HZ   LYS  55          3HZ       LYS  55  15.564  -5.201  -5.201
  468    H    VAL  56           H        VAL  56  12.293   0.908   0.908
  469    HA   VAL  56           HA       VAL  56   9.967   2.117   2.117
  470    HB   VAL  56           HB       VAL  56  12.775   3.267   3.267
  471   1HG1  VAL  56          3HG1      VAL  56  10.851   4.915   4.915
  472   2HG1  VAL  56          2HG1      VAL  56  10.606   4.021   4.021
  473   3HG1  VAL  56          1HG1      VAL  56  12.140   4.838   4.838
  474   1HG2  VAL  56          3HG2      VAL  56  11.992   0.993   0.993
  475   2HG2  VAL  56          2HG2      VAL  56  13.227   2.061   2.061
  476   3HG2  VAL  56          1HG2      VAL  56  11.568   2.159   2.159
  477    H    MET  57           H        MET  57  12.150   3.344   3.344
  478    HA   MET  57           HA       MET  57  10.526   5.709   5.709
  479   1HB   MET  57          2HB       MET  57  12.783   4.296   4.296
  480   2HB   MET  57          1HB       MET  57  12.102   5.835   5.835
  481   1HG   MET  57          2HG       MET  57  13.269   5.344   5.344
  482   2HG   MET  57          1HG       MET  57  14.139   6.114   6.114
  483   1HE   MET  57          1HE       MET  57  14.392   8.366   8.366
  484   2HE   MET  57          3HE       MET  57  13.049   8.294   8.294
  485   3HE   MET  57          2HE       MET  57  13.124   9.587   9.587
  486    H    GLU  58           H        GLU  58  10.776   2.440   2.440
  487    HA   GLU  58           HA       GLU  58   9.351   2.830   2.830
  488   1HB   GLU  58          2HB       GLU  58   9.342   0.508   0.508
  489   2HB   GLU  58          1HB       GLU  58  10.579   0.778   0.778
  490   1HG   GLU  58          2HG       GLU  58   9.236  -0.774  -0.774
  491   2HG   GLU  58          1HG       GLU  58   8.504   0.726   0.726
  492    H    THR  59           H        THR  59   8.135   2.483   2.483
  493    HA   THR  59           HA       THR  59   5.333   2.425   2.425
  494    HB   THR  59           HB       THR  59   6.591   2.469   2.469
  495    HG1  THR  59           HG1      THR  59   5.730   0.385   0.385
  496   1HG2  THR  59          2HG2      THR  59   4.185   3.195   3.195
  497   2HG2  THR  59          1HG2      THR  59   3.810   1.617   1.617
  498   3HG2  THR  59          3HG2      THR  59   4.434   1.732   1.732
  499    H    LEU  60           H        LEU  60   7.612   4.635   4.635
  500    HA   LEU  60           HA       LEU  60   5.536   6.683   6.683
  501   1HB   LEU  60          2HB       LEU  60   7.972   5.892   5.892
  502   2HB   LEU  60          1HB       LEU  60   8.333   7.437   7.437
  503    HG   LEU  60           HG       LEU  60   6.240   6.853   6.853
  504   1HD1  LEU  60          1HD1      LEU  60   8.651   7.407   7.407
  505   2HD1  LEU  60          3HD1      LEU  60   8.374   8.994   8.994
  506   3HD1  LEU  60          2HD1      LEU  60   7.434   8.486   8.486
  507   1HD2  LEU  60          2HD2      LEU  60   6.439   9.072   9.072
  508   2HD2  LEU  60          1HD2      LEU  60   5.005   8.252   8.252
  509   3HD2  LEU  60          3HD2      LEU  60   5.840   9.437   9.437
  510    H    ASP  61           H        ASP  61   7.600   5.794   5.794
  511    HA   ASP  61           HA       ASP  61   7.988   8.520   8.520
  512   1HB   ASP  61          2HB       ASP  61   9.713   6.690   6.690
  513   2HB   ASP  61          1HB       ASP  61   8.671   5.807   5.807
  514    H    SER  62           H        SER  62   5.500   6.274   6.274
  515    HA   SER  62           HA       SER  62   4.580   6.013   6.013
  516   1HB   SER  62          2HB       SER  62   2.316   6.127   6.127
  517   2HB   SER  62          1HB       SER  62   3.438   5.179   5.179
  518    HG   SER  62           HG       SER  62   2.693   6.527   6.527
  519    H    ASP  63           H        ASP  63   4.805   8.876   8.876
  520    HA   ASP  63           HA       ASP  63   4.498  11.146  11.146
  521   1HB   ASP  63          2HB       ASP  63   6.043  10.150  10.150
  522   2HB   ASP  63          1HB       ASP  63   4.637  10.320  10.320
  523    H    GLY  64           H        GLY  64   2.805  12.541  12.541
  524   1HA   GLY  64          2HA       GLY  64   0.477  13.002  13.002
  525   2HA   GLY  64          1HA       GLY  64   0.833  12.805  12.805
  526    H    ASP  65           H        ASP  65  -0.268  11.036  11.036
  527    HA   ASP  65           HA       ASP  65  -2.461   9.747   9.747
  528   1HB   ASP  65          2HB       ASP  65  -1.170   8.707   8.707
  529   2HB   ASP  65          1HB       ASP  65   0.182   8.413   8.413
  530    H    GLY  66           H        GLY  66   0.433   8.736   8.736
  531   1HA   GLY  66          2HA       GLY  66  -0.963   7.032   7.032
  532   2HA   GLY  66          1HA       GLY  66   0.571   7.841   7.841
  533    H    GLU  67           H        GLU  67  -2.912   8.161   8.161
  534    HA   GLU  67           HA       GLU  67  -2.774  10.703  10.703
  535   1HB   GLU  67          2HB       GLU  67  -5.052  10.723  10.723
  536   2HB   GLU  67          1HB       GLU  67  -4.548   9.573   9.573
  537   1HG   GLU  67          2HG       GLU  67  -5.099   7.708   7.708
  538   2HG   GLU  67          1HG       GLU  67  -5.608   8.864   8.864
  539    H    CYS  68           H        CYS  68  -1.801  10.361  10.361
  540    HA   CYS  68           HA       CYS  68  -2.067   7.816   7.816
  541   1HB   CYS  68          2HB       CYS  68  -0.737  10.395  10.395
  542   2HB   CYS  68          1HB       CYS  68  -0.370   8.779   8.779
  543    HG   CYS  68           HG       CYS  68   1.103   9.832   9.832
  544    H    ASP  69           H        ASP  69  -3.213   7.354   7.354
  545    HA   ASP  69           HA       ASP  69  -4.293   9.422   9.422
  546   1HB   ASP  69          2HB       ASP  69  -6.229   9.493   9.493
  547   2HB   ASP  69          1HB       ASP  69  -5.838   8.023   8.023
  548    H    PHE  70           H        PHE  70  -5.441   8.141   8.141
  549    HA   PHE  70           HA       PHE  70  -4.055   6.615   6.615
  550   1HB   PHE  70          2HB       PHE  70  -6.699   5.599   5.599
  551   2HB   PHE  70          1HB       PHE  70  -6.037   5.323   5.323
  552    HD1  PHE  70           HD2      PHE  70  -5.133   7.739   7.739
  553    HD2  PHE  70           HD1      PHE  70  -8.426   7.149   7.149
  554    HE1  PHE  70           HE2      PHE  70  -6.183   9.831   9.831
  555    HE2  PHE  70           HE1      PHE  70  -9.473   9.240   9.240
  556    HZ   PHE  70           HZ       PHE  70  -8.346  10.579  10.579
  557    H    GLN  71           H        GLN  71  -5.336   5.072   5.072
  558    HA   GLN  71           HA       GLN  71  -4.201   2.474   2.474
  559   1HB   GLN  71          2HB       GLN  71  -5.862   2.225   2.225
  560   2HB   GLN  71          1HB       GLN  71  -5.736   3.895   3.895
  561   1HG   GLN  71          2HG       GLN  71  -3.546   2.069   2.069
  562   2HG   GLN  71          1HG       GLN  71  -5.134   1.784   1.784
  563   1HE2  GLN  71          2HE2      GLN  71  -3.623   4.301   4.301
  564   2HE2  GLN  71          1HE2      GLN  71  -3.496   2.632   2.632
  565    H    GLU  72           H        GLU  72  -3.179   4.880   4.880
  566    HA   GLU  72           HA       GLU  72  -0.936   3.577   3.577
  567   1HB   GLU  72          2HB       GLU  72  -1.572   6.467   6.467
  568   2HB   GLU  72          1HB       GLU  72  -0.083   5.997   5.997
  569   1HG   GLU  72          2HG       GLU  72  -1.889   4.466   4.466
  570   2HG   GLU  72          1HG       GLU  72  -2.892   5.872   5.872
  571    H    PHE  73           H        PHE  73  -0.614   6.126   6.126
  572    HA   PHE  73           HA       PHE  73   1.983   5.855   5.855
  573   1HB   PHE  73          2HB       PHE  73   0.896   7.432   7.432
  574   2HB   PHE  73          1HB       PHE  73  -0.570   6.471   6.471
  575    HD1  PHE  73           HD2      PHE  73   2.902   5.599   5.599
  576    HD2  PHE  73           HD1      PHE  73  -1.115   6.499   6.499
  577    HE1  PHE  73           HE2      PHE  73   3.466   4.997   4.997
  578    HE2  PHE  73           HE1      PHE  73  -0.556   5.910   5.910
  579    HZ   PHE  73           HZ       PHE  73   1.738   5.157   5.157
  580    H    MET  74           H        MET  74  -0.567   3.756   3.756
  581    HA   MET  74           HA       MET  74   1.414   2.087   2.087
  582   1HB   MET  74          2HB       MET  74  -1.508   1.731   1.731
  583   2HB   MET  74          1HB       MET  74  -0.610   0.613   0.613
  584   1HG   MET  74          2HG       MET  74  -0.047   2.575   2.575
  585   2HG   MET  74          1HG       MET  74  -1.172   3.540   3.540
  586   1HE   MET  74          2HE       MET  74  -0.597   0.400   0.400
  587   2HE   MET  74          1HE       MET  74  -2.203  -0.228  -0.228
  588   3HE   MET  74          3HE       MET  74  -1.563  -0.317  -0.317
  589    H    ALA  75           H        ALA  75  -0.168   2.131   2.131
  590    HA   ALA  75           HA       ALA  75   0.541  -0.546  -0.546
  591   1HB   ALA  75          3HB       ALA  75  -1.212   1.169   1.169
  592   2HB   ALA  75          2HB       ALA  75   0.135   1.868   1.868
  593   3HB   ALA  75          1HB       ALA  75  -0.355   0.199   0.199
  594    H    PHE  76           H        PHE  76   1.792   2.572   2.572
  595    HA   PHE  76           HA       PHE  76   4.080   1.516   1.516
  596   1HB   PHE  76          2HB       PHE  76   3.186   3.673   3.673
  597   2HB   PHE  76          1HB       PHE  76   3.328   4.231   4.231
  598    HD1  PHE  76           HD1      PHE  76   5.547   2.695   2.695
  599    HD2  PHE  76           HD2      PHE  76   5.094   5.671   5.671
  600    HE1  PHE  76           HE1      PHE  76   7.822   3.552   3.552
  601    HE2  PHE  76           HE2      PHE  76   7.369   6.526   6.526
  602    HZ   PHE  76           HZ       PHE  76   8.732   5.467   5.467
  603    H    VAL  77           H        VAL  77   3.775   3.088   3.088
  604    HA   VAL  77           HA       VAL  77   6.444   2.997   2.997
  605    HB   VAL  77           HB       VAL  77   4.395   3.762   3.762
  606   1HG1  VAL  77          2HG1      VAL  77   3.153   1.628   1.628
  607   2HG1  VAL  77          1HG1      VAL  77   4.279   0.831   0.831
  608   3HG1  VAL  77          3HG1      VAL  77   3.229   2.116   2.116
  609   1HG2  VAL  77          3HG2      VAL  77   6.652   3.598   3.598
  610   2HG2  VAL  77          2HG2      VAL  77   5.379   3.223   3.223
  611   3HG2  VAL  77          1HG2      VAL  77   6.318   1.920   1.920
  612    H    ALA  78           H        ALA  78   4.077   0.301   0.301
  613    HA   ALA  78           HA       ALA  78   5.966  -1.671  -1.671
  614   1HB   ALA  78          2HB       ALA  78   3.287  -1.681  -1.681
  615   2HB   ALA  78          1HB       ALA  78   3.895  -2.501  -2.501
  616   3HB   ALA  78          3HB       ALA  78   4.224  -3.174  -3.174
  617    H    MET  79           H        MET  79   5.007  -0.555  -0.555
  618    HA   MET  79           HA       MET  79   6.712  -2.246  -2.246
  619   1HB   MET  79          2HB       MET  79   4.741  -0.617  -0.617
  620   2HB   MET  79          1HB       MET  79   6.021   0.579   0.579
  621   1HG   MET  79          2HG       MET  79   5.983  -2.106  -2.106
  622   2HG   MET  79          1HG       MET  79   5.378  -0.618  -0.618
  623   1HE   MET  79          2HE       MET  79   7.604  -2.981  -2.981
  624   2HE   MET  79          1HE       MET  79   8.620  -2.414  -2.414
  625   3HE   MET  79          3HE       MET  79   9.248  -2.439  -2.439
  626    H    ILE  80           H        ILE  80   7.407   0.729   0.729
  627    HA   ILE  80           HA       ILE  80   9.970   1.234   1.234
  628    HB   ILE  80           HB       ILE  80   9.012   1.992   1.992
  629   1HG1  ILE  80          2HG1      ILE  80   8.668   3.521   3.521
  630   2HG1  ILE  80          1HG1      ILE  80   7.404   2.546   2.546
  631   1HG2  ILE  80          1HG2      ILE  80  11.472   2.360   2.360
  632   2HG2  ILE  80          3HG2      ILE  80  10.650   3.831   3.831
  633   3HG2  ILE  80          2HG2      ILE  80  10.768   3.445   3.445
  634   1HD1  ILE  80          1HD1      ILE  80   8.092   3.988   3.988
  635   2HD1  ILE  80          3HD1      ILE  80   8.542   5.143   5.143
  636   3HD1  ILE  80          2HD1      ILE  80   6.883   4.551   4.551
  637    H    THR  81           H        THR  81   9.115   0.185   0.185
  638    HA   THR  81           HA       THR  81  11.675  -0.844  -0.844
  639    HB   THR  81           HB       THR  81   8.956  -1.754  -1.754
  640    HG1  THR  81           HG1      THR  81  10.416   0.602   0.602
  641   1HG2  THR  81          3HG2      THR  81  11.197  -2.759  -2.759
  642   2HG2  THR  81          2HG2      THR  81  11.445  -1.195  -1.195
  643   3HG2  THR  81          1HG2      THR  81  10.055  -2.187  -2.187
  644    H    THR  82           H        THR  82   9.045  -2.298  -2.298
  645    HA   THR  82           HA       THR  82   9.653  -5.048  -5.048
  646    HB   THR  82           HB       THR  82   8.783  -5.085  -5.085
  647    HG1  THR  82           HG1      THR  82   9.239  -2.966  -2.966
  648   1HG2  THR  82          1HG2      THR  82   7.466  -4.715  -4.715
  649   2HG2  THR  82          3HG2      THR  82   6.548  -3.887  -3.887
  650   3HG2  THR  82          2HG2      THR  82   6.911  -5.604  -5.604
  651    H    ALA  83           H        ALA  83  11.103  -2.605  -2.605
  652    HA   ALA  83           HA       ALA  83  12.730  -4.248  -4.248
  653   1HB   ALA  83          3HB       ALA  83  12.691  -1.444  -1.444
  654   2HB   ALA  83          2HB       ALA  83  14.206  -2.003  -2.003
  655   3HB   ALA  83          1HB       ALA  83  12.720  -2.048  -2.048
  656    H    CYS  84           H        CYS  84  13.017  -3.517  -3.517
  657    HA   CYS  84           HA       CYS  84  15.773  -3.724  -3.724
  658   1HB   CYS  84          2HB       CYS  84  13.277  -4.574  -4.574
  659   2HB   CYS  84          1HB       CYS  84  14.865  -4.853  -4.853
  660    HG   CYS  84           HG       CYS  84  15.178  -2.128  -2.128
  661    H    HIS  85           H        HIS  85  14.098  -6.531  -6.531
  662    HA   HIS  85           HA       HIS  85  14.732  -8.506  -8.506
  663   1HB   HIS  85          2HB       HIS  85  17.004  -7.284  -7.284
  664   2HB   HIS  85          1HB       HIS  85  16.935  -9.002  -9.002
  665    HD1  HIS  85           HD1      HIS  85  19.118  -7.827  -7.827
  666    HD2  HIS  85           HD2      HIS  85  15.549  -9.562  -9.562
  667    HE1  HIS  85           HE1      HIS  85  19.506  -8.591  -8.591
  668    H    GLU  86           H        GLU  86  15.229 -10.721 -10.721
  669    HA   GLU  86           HA       GLU  86  14.546 -12.270 -12.270
  670   1HB   GLU  86          2HB       GLU  86  15.678 -10.292 -10.292
  671   2HB   GLU  86          1HB       GLU  86  14.024  -9.932  -9.932
  672   1HG   GLU  86          2HG       GLU  86  13.935 -12.513 -12.513
  673   2HG   GLU  86          1HG       GLU  86  15.690 -12.357 -12.357
  674    H    PHE  87           H        PHE  87  12.518 -11.165 -11.165
  675    HA   PHE  87           HA       PHE  87  10.139 -12.201 -12.201
  676   1HB   PHE  87          2HB       PHE  87   9.130 -10.896 -10.896
  677   2HB   PHE  87          1HB       PHE  87  10.820 -11.012 -11.012
  678    HD1  PHE  87           HD2      PHE  87  12.371  -9.170  -9.170
  679    HD2  PHE  87           HD1      PHE  87   8.189  -8.789  -8.789
  680    HE1  PHE  87           HE2      PHE  87  12.662  -6.728  -6.728
  681    HE2  PHE  87           HE1      PHE  87   8.504  -6.337  -6.337
  682    HZ   PHE  87           HZ       PHE  87  10.742  -5.318  -5.318
  683    H    PHE  88           H        PHE  88  11.267  -8.811  -8.811
  684    HA   PHE  88           HA       PHE  88   8.844  -8.285  -8.285
  685   1HB   PHE  88          2HB       PHE  88  11.199  -6.788  -6.788
  686   2HB   PHE  88          1HB       PHE  88  10.741  -6.394  -6.394
  687    HD1  PHE  88           HD2      PHE  88   7.709  -7.240  -7.240
  688    HD2  PHE  88           HD1      PHE  88  10.528  -4.390  -4.390
  689    HE1  PHE  88           HE2      PHE  88   5.843  -5.936  -5.936
  690    HE2  PHE  88           HE1      PHE  88   8.655  -3.051  -3.051
  691    HZ   PHE  88           HZ       PHE  88   6.320  -3.820  -3.820
  692    H    GLU  89           H        GLU  89  11.607 -10.015 -10.015
  693    HA   GLU  89           HA       GLU  89  12.502  -9.550  -9.550
  694   1HB   GLU  89          2HB       GLU  89  13.000 -11.540 -11.540
  695   2HB   GLU  89          1HB       GLU  89  11.385 -12.170 -12.170
  696   1HG   GLU  89          2HG       GLU  89  11.859 -12.332 -12.332
  697   2HG   GLU  89          1HG       GLU  89  13.428 -11.557 -11.557
  698    H    HIS  90           H        HIS  90  11.213  -8.535  -8.535
  699    HA   HIS  90           HA       HIS  90   8.554  -8.666  -8.666
  700   1HB   HIS  90          2HB       HIS  90  10.959  -8.746  -8.746
  701   2HB   HIS  90          1HB       HIS  90   9.329  -8.360  -8.360
  702    HD1  HIS  90           HD1      HIS  90  10.199  -5.940  -5.940
  703    HD2  HIS  90           HD2      HIS  90  10.323  -6.863  -6.863
  704    HE1  HIS  90           HE1      HIS  90  10.516  -3.749  -3.749
  705    H    GLU  91           H        GLU  91  10.786 -10.749 -10.749
  706    HA   GLU  91           HA       GLU  91   8.600 -12.788 -12.788
  707   1HB   GLU  91          2HB       GLU  91  10.815 -11.814 -11.814
  708   2HB   GLU  91          1HB       GLU  91  10.328 -13.502 -13.502
  709   1HG   GLU  91          2HG       GLU  91   8.075 -12.902 -12.902
  710   2HG   GLU  91          1HG       GLU  91   8.335 -11.227 -11.227
  711   1H    MET   0          3H        MET   0   6.735  10.212  10.212
  712   2H    MET   0          2H        MET   0   8.287  10.732  10.732
  713   3H    MET   0          1H        MET   0   7.143  11.854  11.854
  714    HA   MET   0           HA       MET   0   7.237  11.001  11.001
  715   1HB   MET   0          2HB       MET   0   9.491  11.935  11.935
  716   2HB   MET   0          1HB       MET   0  10.054  10.928  10.928
  717   1HG   MET   0          2HG       MET   0   8.985  12.300  12.300
  718   2HG   MET   0          1HG       MET   0   8.018  13.124  13.124
  719   1HE   MET   0          1HE       MET   0  11.616  11.979  11.979
  720   2HE   MET   0          3HE       MET   0  11.683  12.510  12.510
  721   3HE   MET   0          2HE       MET   0  12.602  13.368  13.368
  722    H    SER   1           H        SER   1   9.989   9.339   9.339
  723    HA   SER   1           HA       SER   1  10.179   7.146   7.146
  724   1HB   SER   1          2HB       SER   1  11.416   6.148   6.148
  725   2HB   SER   1          1HB       SER   1  11.696   7.886   7.886
  726    HG   SER   1           HG       SER   1  11.084   7.593   7.593
  727    H    GLU   2           H        GLU   2   7.660   7.760   7.760
  728    HA   GLU   2           HA       GLU   2   6.678   5.405   5.405
  729   1HB   GLU   2          2HB       GLU   2   5.469   7.804   7.804
  730   2HB   GLU   2          1HB       GLU   2   4.397   6.432   6.432
  731   1HG   GLU   2          2HG       GLU   2   6.113   7.804   7.804
  732   2HG   GLU   2          1HG       GLU   2   4.361   7.935   7.935
  733    H    LEU   3           H        LEU   3   6.810   6.299   6.299
  734    HA   LEU   3           HA       LEU   3   5.227   4.001   4.001
  735   1HB   LEU   3          2HB       LEU   3   7.101   5.645   5.645
  736   2HB   LEU   3          1HB       LEU   3   5.569   4.921   4.921
  737    HG   LEU   3           HG       LEU   3   6.014   7.343   7.343
  738   1HD1  LEU   3          3HD1      LEU   3   5.725   7.169   7.169
  739   2HD1  LEU   3          2HD1      LEU   3   4.031   7.252   7.252
  740   3HD1  LEU   3          1HD1      LEU   3   5.144   8.539   8.539
  741   1HD2  LEU   3          2HD2      LEU   3   4.304   5.753   5.753
  742   2HD2  LEU   3          1HD2      LEU   3   3.647   7.323   7.323
  743   3HD2  LEU   3          3HD2      LEU   3   3.390   5.920   5.920
  744    H    GLU   4           H        GLU   4   8.598   4.900   4.900
  745    HA   GLU   4           HA       GLU   4   9.494   2.455   2.455
  746   1HB   GLU   4          2HB       GLU   4  10.798   4.555   4.555
  747   2HB   GLU   4          1HB       GLU   4  10.967   4.378   4.378
  748   1HG   GLU   4          2HG       GLU   4  11.857   2.185   2.185
  749   2HG   GLU   4          1HG       GLU   4  12.916   3.548   3.548
  750    H    LYS   5           H        LYS   5   9.350   3.463   3.463
  751    HA   LYS   5           HA       LYS   5  10.424   1.019   1.019
  752   1HB   LYS   5          2HB       LYS   5   8.443   2.914   2.914
  753   2HB   LYS   5          1HB       LYS   5   9.726   1.992   1.992
  754   1HG   LYS   5          2HG       LYS   5  10.829   3.695   3.695
  755   2HG   LYS   5          1HG       LYS   5   9.896   4.647   4.647
  756   1HD   LYS   5          2HD       LYS   5  11.203   3.879   3.879
  757   2HD   LYS   5          1HD       LYS   5  11.937   2.595   2.595
  758   1HE   LYS   5          2HE       LYS   5  12.632   4.777   4.777
  759   2HE   LYS   5          1HE       LYS   5  12.651   5.467   5.467
  760   1HZ   LYS   5          1HZ       LYS   5  13.956   3.539   3.539
  761   2HZ   LYS   5          3HZ       LYS   5  14.004   2.965   2.965
  762   3HZ   LYS   5          2HZ       LYS   5  14.768   4.430   4.430
  763    H    ALA   6           H        ALA   6   7.091   2.151   2.151
  764    HA   ALA   6           HA       ALA   6   5.823  -0.264  -0.264
  765   1HB   ALA   6          1HB       ALA   6   5.108   2.015   2.015
  766   2HB   ALA   6          3HB       ALA   6   3.994   0.671   0.671
  767   3HB   ALA   6          2HB       ALA   6   4.472   1.687   1.687
  768    H    VAL   7           H        VAL   7   7.053   0.918   0.918
  769    HA   VAL   7           HA       VAL   7   6.314  -1.144  -1.144
  770    HB   VAL   7           HB       VAL   7   8.125   1.103   1.103
  771   1HG1  VAL   7          2HG1      VAL   7   9.266  -1.395  -1.395
  772   2HG1  VAL   7          1HG1      VAL   7   9.752   0.209   0.209
  773   3HG1  VAL   7          3HG1      VAL   7  10.031  -0.265  -0.265
  774   1HG2  VAL   7          2HG2      VAL   7   6.220   0.067   0.067
  775   2HG2  VAL   7          1HG2      VAL   7   7.096   1.591   1.591
  776   3HG2  VAL   7          3HG2      VAL   7   7.723   0.132   0.132
  777    H    VAL   8           H        VAL   8   9.208  -0.865  -0.865
  778    HA   VAL   8           HA       VAL   8  10.459  -3.321  -3.321
  779    HB   VAL   8           HB       VAL   8  10.120  -1.686  -1.686
  780   1HG1  VAL   8          1HG1      VAL   8  11.561  -4.287  -4.287
  781   2HG1  VAL   8          3HG1      VAL   8  12.213  -3.106  -3.106
  782   3HG1  VAL   8          2HG1      VAL   8  10.597  -3.770  -3.770
  783   1HG2  VAL   8          2HG2      VAL   8  12.435  -2.135  -2.135
  784   2HG2  VAL   8          1HG2      VAL   8  11.438  -0.685  -0.685
  785   3HG2  VAL   8          3HG2      VAL   8  12.489  -1.116  -1.116
  786    H    ALA   9           H        ALA   9   7.777  -2.567  -2.567
  787    HA   ALA   9           HA       ALA   9   7.399  -5.255  -5.255
  788   1HB   ALA   9          2HB       ALA   9   6.139  -2.602  -2.602
  789   2HB   ALA   9          1HB       ALA   9   4.979  -3.927  -3.927
  790   3HB   ALA   9          3HB       ALA   9   6.290  -3.825  -3.825
  791    H    LEU  10           H        LEU  10   6.035  -3.412  -3.412
  792    HA   LEU  10           HA       LEU  10   3.967  -5.222  -5.222
  793   1HB   LEU  10          2HB       LEU  10   5.776  -3.653  -3.653
  794   2HB   LEU  10          1HB       LEU  10   4.113  -4.152  -4.152
  795    HG   LEU  10           HG       LEU  10   5.086  -2.103  -2.103
  796   1HD1  LEU  10          2HD1      LEU  10   4.593  -1.595  -1.595
  797   2HD1  LEU  10          1HD1      LEU  10   2.901  -1.792  -1.792
  798   3HD1  LEU  10          3HD1      LEU  10   3.886  -0.545  -0.545
  799   1HD2  LEU  10          3HD2      LEU  10   2.464  -3.574  -3.574
  800   2HD2  LEU  10          2HD2      LEU  10   3.435  -3.256  -3.256
  801   3HD2  LEU  10          1HD2      LEU  10   2.536  -1.946  -1.946
  802    H    ILE  11           H        ILE  11   7.450  -5.303  -5.303
  803    HA   ILE  11           HA       ILE  11   7.504  -7.415  -7.415
  804    HB   ILE  11           HB       ILE  11   9.811  -7.476  -7.476
  805   1HG1  ILE  11          2HG1      ILE  11  10.504  -6.397  -6.397
  806   2HG1  ILE  11          1HG1      ILE  11   8.945  -7.102  -7.102
  807   1HG2  ILE  11          2HG2      ILE  11   8.913  -5.199  -5.199
  808   2HG2  ILE  11          1HG2      ILE  11   9.085  -4.756  -4.756
  809   3HG2  ILE  11          3HG2      ILE  11  10.502  -5.215  -5.215
  810   1HD1  ILE  11          1HD1      ILE  11  10.311  -8.941  -8.941
  811   2HD1  ILE  11          3HD1      ILE  11  11.415  -8.464  -8.464
  812   3HD1  ILE  11          2HD1      ILE  11   9.844  -9.166  -9.166
  813    H    ASP  12           H        ASP  12   7.102  -7.304  -7.304
  814    HA   ASP  12           HA       ASP  12   7.424 -10.142 -10.142
  815   1HB   ASP  12          2HB       ASP  12   6.951  -7.649  -7.649
  816   2HB   ASP  12          1HB       ASP  12   5.688  -8.788  -8.788
  817    H    VAL  13           H        VAL  13   4.833  -7.920  -7.920
  818    HA   VAL  13           HA       VAL  13   2.613  -9.718  -9.718
  819    HB   VAL  13           HB       VAL  13   2.930  -7.375  -7.375
  820   1HG1  VAL  13          3HG1      VAL  13   0.577  -8.638  -8.638
  821   2HG1  VAL  13          2HG1      VAL  13   0.490  -7.091  -7.091
  822   3HG1  VAL  13          1HG1      VAL  13   0.848  -8.568  -8.568
  823   1HG2  VAL  13          1HG2      VAL  13   2.352  -7.423  -7.423
  824   2HG2  VAL  13          3HG2      VAL  13   3.701  -6.624  -6.624
  825   3HG2  VAL  13          2HG2      VAL  13   2.062  -6.020  -6.020
  826    H    PHE  14           H        PHE  14   4.208  -8.578  -8.578
  827    HA   PHE  14           HA       PHE  14   2.958 -10.633 -10.633
  828   1HB   PHE  14          2HB       PHE  14   4.987  -8.535  -8.535
  829   2HB   PHE  14          1HB       PHE  14   5.341 -10.035 -10.035
  830    HD1  PHE  14           HD2      PHE  14   2.172  -8.392  -8.392
  831    HD2  PHE  14           HD1      PHE  14   4.436  -9.994  -9.994
  832    HE1  PHE  14           HE2      PHE  14   0.241  -8.146  -8.146
  833    HE2  PHE  14           HE1      PHE  14   2.511  -9.729  -9.729
  834    HZ   PHE  14           HZ       PHE  14   0.390  -8.785  -8.785
  835    H    HIS  15           H        HIS  15   5.908 -10.596 -10.596
  836    HA   HIS  15           HA       HIS  15   7.290 -12.848 -12.848
  837   1HB   HIS  15          2HB       HIS  15   8.113 -11.601 -11.601
  838   2HB   HIS  15          1HB       HIS  15   6.623 -11.855 -11.855
  839    HD1  HIS  15           HD1      HIS  15   9.961 -13.159 -13.159
  840    HD2  HIS  15           HD2      HIS  15   6.232 -14.827 -14.827
  841    HE1  HIS  15           HE1      HIS  15  10.408 -15.412 -15.412
  842    H    GLN  16           H        GLN  16   4.430 -12.710 -12.710
  843    HA   GLN  16           HA       GLN  16   4.085 -15.652 -15.652
  844   1HB   GLN  16          2HB       GLN  16   3.636 -14.637 -14.637
  845   2HB   GLN  16          1HB       GLN  16   2.692 -13.337 -13.337
  846   1HG   GLN  16          2HG       GLN  16   0.992 -14.995 -14.995
  847   2HG   GLN  16          1HG       GLN  16   1.924 -16.270 -16.270
  848   1HE2  GLN  16          2HE2      GLN  16   1.067 -15.213 -15.213
  849   2HE2  GLN  16          1HE2      GLN  16   2.250 -16.027 -16.027
  850    H    TYR  17           H        TYR  17   2.055 -12.795 -12.795
  851    HA   TYR  17           HA       TYR  17  -0.062 -14.003 -14.003
  852   1HB   TYR  17          2HB       TYR  17   1.380 -11.387 -11.387
  853   2HB   TYR  17          1HB       TYR  17   0.090 -11.700 -11.700
  854    HD1  TYR  17           HD2      TYR  17   0.910 -11.482 -11.482
  855    HD2  TYR  17           HD1      TYR  17  -2.202 -11.883 -11.883
  856    HE1  TYR  17           HE2      TYR  17  -0.798 -11.021 -11.021
  857    HE2  TYR  17           HE1      TYR  17  -3.914 -11.468 -11.468
  858    HH   TYR  17           HH       TYR  17  -3.092 -10.269 -10.269
  859    H    SER  18           H        SER  18   2.383 -12.318 -12.318
  860    HA   SER  18           HA       SER  18   1.779 -13.977 -13.977
  861   1HB   SER  18          2HB       SER  18   3.719 -12.699 -12.699
  862   2HB   SER  18          1HB       SER  18   2.524 -11.648 -11.648
  863    HG   SER  18           HG       SER  18   5.123 -12.191 -12.191
  864    H    GLY  19           H        GLY  19   3.486 -14.799 -14.799
  865   1HA   GLY  19          2HA       GLY  19   5.294 -16.594 -16.594
  866   2HA   GLY  19          1HA       GLY  19   5.780 -15.885 -15.885
  867    H    ARG  20           H        ARG  20   3.979 -16.399 -16.399
  868    HA   ARG  20           HA       ARG  20   4.131 -18.870 -18.870
  869   1HB   ARG  20          2HB       ARG  20   2.195 -18.378 -18.378
  870   2HB   ARG  20          1HB       ARG  20   2.630 -16.782 -16.782
  871   1HG   ARG  20          2HG       ARG  20   1.081 -17.238 -17.238
  872   2HG   ARG  20          1HG       ARG  20   0.538 -18.678 -18.678
  873   1HD   ARG  20          2HD       ARG  20   0.238 -16.882 -16.882
  874   2HD   ARG  20          1HD       ARG  20  -0.018 -15.811 -15.811
  875    HE   ARG  20           HE       ARG  20  -1.485 -18.090 -18.090
  876   1HH1  ARG  20          1HH2      ARG  20  -2.234 -15.164 -15.164
  877   2HH1  ARG  20          2HH2      ARG  20  -3.494 -15.623 -15.623
  878   1HH2  ARG  20          2HH1      ARG  20  -2.729 -19.002 -19.002
  879   2HH2  ARG  20          1HH1      ARG  20  -3.776 -17.795 -17.795
  880    H    GLU  21           H        GLU  21   1.968 -18.131 -18.131
  881    HA   GLU  21           HA       GLU  21   2.047 -20.928 -20.928
  882   1HB   GLU  21          2HB       GLU  21   0.160 -20.158 -20.158
  883   2HB   GLU  21          1HB       GLU  21  -0.738 -20.146 -20.146
  884   1HG   GLU  21          2HG       GLU  21   0.350 -22.450 -22.450
  885   2HG   GLU  21          1HG       GLU  21   0.747 -22.439 -22.439
  886    H    GLY  22           H        GLY  22   0.384 -17.802 -17.802
  887   1HA   GLY  22          2HA       GLY  22  -0.604 -18.134 -18.134
  888   2HA   GLY  22          1HA       GLY  22  -0.254 -16.576 -16.576
  889    H    ASP  23           H        ASP  23   1.184 -19.240 -19.240
  890    HA   ASP  23           HA       ASP  23   3.131 -19.288 -19.288
  891   1HB   ASP  23          2HB       ASP  23   2.598 -16.314 -16.314
  892   2HB   ASP  23          1HB       ASP  23   3.265 -17.379 -17.379
  893    H    LYS  24           H        LYS  24   5.122 -17.311 -17.311
  894    HA   LYS  24           HA       LYS  24   6.461 -17.433 -17.433
  895   1HB   LYS  24          2HB       LYS  24   7.166 -17.517 -17.517
  896   2HB   LYS  24          1HB       LYS  24   8.061 -16.212 -16.212
  897   1HG   LYS  24          2HG       LYS  24   9.361 -17.664 -17.664
  898   2HG   LYS  24          1HG       LYS  24   7.965 -18.608 -18.608
  899   1HD   LYS  24          2HD       LYS  24   8.551 -20.212 -20.212
  900   2HD   LYS  24          1HD       LYS  24   8.257 -19.075 -19.075
  901   1HE   LYS  24          2HE       LYS  24  10.863 -18.989 -18.989
  902   2HE   LYS  24          1HE       LYS  24  10.636 -20.120 -20.120
  903   1HZ   LYS  24          3HZ       LYS  24   9.671 -18.080 -18.080
  904   2HZ   LYS  24          2HZ       LYS  24  10.493 -17.172 -17.172
  905   3HZ   LYS  24          1HZ       LYS  24  11.358 -18.200 -18.200
  906    H    HIS  25           H        HIS  25   5.477 -15.005 -15.005
  907    HA   HIS  25           HA       HIS  25   5.430 -12.976 -12.976
  908   1HB   HIS  25          2HB       HIS  25   7.071 -12.893 -12.893
  909   2HB   HIS  25          1HB       HIS  25   6.727 -11.450 -11.450
  910    HD1  HIS  25           HD1      HIS  25   9.431 -13.539 -13.539
  911    HD2  HIS  25           HD2      HIS  25   7.247 -12.494 -12.494
  912    HE1  HIS  25           HE1      HIS  25  10.928 -14.006 -14.006
  913    H    LYS  26           H        LYS  26   3.147 -13.966 -13.966
  914    HA   LYS  26           HA       LYS  26   1.992 -11.743 -11.743
  915   1HB   LYS  26          2HB       LYS  26   2.955 -13.714 -13.714
  916   2HB   LYS  26          1HB       LYS  26   1.482 -14.546 -14.546
  917   1HG   LYS  26          2HG       LYS  26   1.002 -11.790 -11.790
  918   2HG   LYS  26          1HG       LYS  26   1.694 -12.800 -12.800
  919   1HD   LYS  26          2HD       LYS  26  -0.061 -14.499 -14.499
  920   2HD   LYS  26          1HD       LYS  26  -0.770 -13.452 -13.452
  921   1HE   LYS  26          2HE       LYS  26  -2.028 -12.629 -12.629
  922   2HE   LYS  26          1HE       LYS  26  -0.553 -11.750 -11.750
  923   1HZ   LYS  26          1HZ       LYS  26  -1.212 -14.518 -14.518
  924   2HZ   LYS  26          3HZ       LYS  26  -1.405 -13.140 -13.140
  925   3HZ   LYS  26          2HZ       LYS  26   0.149 -13.615 -13.615
  926    H    LEU  27           H        LEU  27  -0.479 -12.176 -12.176
  927    HA   LEU  27           HA       LEU  27  -1.566 -13.904 -13.904
  928   1HB   LEU  27          2HB       LEU  27  -0.921 -11.136 -11.136
  929   2HB   LEU  27          1HB       LEU  27  -2.678 -11.267 -11.267
  930    HG   LEU  27           HG       LEU  27  -2.366 -13.210 -13.210
  931   1HD1  LEU  27          3HD1      LEU  27   0.356 -11.941 -11.941
  932   2HD1  LEU  27          2HD1      LEU  27  -0.268 -12.665 -12.665
  933   3HD1  LEU  27          1HD1      LEU  27  -0.070 -13.651 -13.651
  934   1HD2  LEU  27          2HD2      LEU  27  -2.067 -10.273 -10.273
  935   2HD2  LEU  27          1HD2      LEU  27  -3.399 -11.345 -11.345
  936   3HD2  LEU  27          3HD2      LEU  27  -1.909 -11.368 -11.368
  937    H    LYS  28           H        LYS  28  -4.111 -13.501 -13.501
  938    HA   LYS  28           HA       LYS  28  -4.997 -12.809 -12.809
  939   1HB   LYS  28          2HB       LYS  28  -5.645 -15.291 -15.291
  940   2HB   LYS  28          1HB       LYS  28  -6.381 -14.885 -14.885
  941   1HG   LYS  28          2HG       LYS  28  -4.665 -16.192 -16.192
  942   2HG   LYS  28          1HG       LYS  28  -3.794 -14.662 -14.662
  943   1HD   LYS  28          2HD       LYS  28  -2.551 -15.318 -15.318
  944   2HD   LYS  28          1HD       LYS  28  -3.874 -16.249 -16.249
  945   1HE   LYS  28          2HE       LYS  28  -3.362 -17.698 -17.698
  946   2HE   LYS  28          1HE       LYS  28  -1.736 -17.135 -17.135
  947   1HZ   LYS  28          3HZ       LYS  28  -2.136 -17.867 -17.867
  948   2HZ   LYS  28          2HZ       LYS  28  -3.689 -18.410 -18.410
  949   3HZ   LYS  28          1HZ       LYS  28  -2.315 -19.168 -19.168
  950    H    LYS  29           H        LYS  29  -7.213 -12.127 -12.127
  951    HA   LYS  29           HA       LYS  29  -8.304 -10.441 -10.441
  952   1HB   LYS  29          2HB       LYS  29  -9.806 -12.527 -12.527
  953   2HB   LYS  29          1HB       LYS  29 -10.474 -11.003 -11.003
  954   1HG   LYS  29          2HG       LYS  29  -9.776 -10.066 -10.066
  955   2HG   LYS  29          1HG       LYS  29  -8.128 -10.269 -10.269
  956   1HD   LYS  29          2HD       LYS  29  -8.254 -11.323 -11.323
  957   2HD   LYS  29          1HD       LYS  29  -8.160 -12.604 -12.604
  958   1HE   LYS  29          2HE       LYS  29 -10.816 -12.417 -12.417
  959   2HE   LYS  29          1HE       LYS  29 -10.468 -11.791 -11.791
  960   1HZ   LYS  29          2HZ       LYS  29  -9.207 -14.245 -14.245
  961   2HZ   LYS  29          1HZ       LYS  29 -10.634 -14.281 -14.281
  962   3HZ   LYS  29          3HZ       LYS  29  -9.200 -13.696 -13.696
  963    H    SER  30           H        SER  30  -8.326 -13.967 -13.967
  964    HA   SER  30           HA       SER  30 -10.232 -14.130 -14.130
  965   1HB   SER  30          2HB       SER  30  -8.330 -15.892 -15.892
  966   2HB   SER  30          1HB       SER  30  -8.860 -16.441 -16.441
  967    HG   SER  30           HG       SER  30 -10.157 -16.790 -16.790
  968    H    GLU  31           H        GLU  31  -6.663 -14.577 -14.577
  969    HA   GLU  31           HA       GLU  31  -6.271 -14.691 -14.691
  970   1HB   GLU  31          2HB       GLU  31  -4.655 -14.154 -14.154
  971   2HB   GLU  31          1HB       GLU  31  -3.934 -13.710 -13.710
  972   1HG   GLU  31          2HG       GLU  31  -4.260 -15.984 -15.984
  973   2HG   GLU  31          1HG       GLU  31  -5.079 -16.442 -16.442
  974    H    LEU  32           H        LEU  32  -6.206 -11.986 -11.986
  975    HA   LEU  32           HA       LEU  32  -5.423  -9.848  -9.848
  976   1HB   LEU  32          2HB       LEU  32  -6.263 -10.031 -10.031
  977   2HB   LEU  32          1HB       LEU  32  -7.863  -9.744  -9.744
  978    HG   LEU  32           HG       LEU  32  -7.049  -7.649  -7.649
  979   1HD1  LEU  32          1HD1      LEU  32  -4.515  -8.822  -8.822
  980   2HD1  LEU  32          3HD1      LEU  32  -4.608  -7.343  -7.343
  981   3HD1  LEU  32          2HD1      LEU  32  -4.845  -7.280  -7.280
  982   1HD2  LEU  32          3HD2      LEU  32  -7.146  -8.188  -8.188
  983   2HD2  LEU  32          2HD2      LEU  32  -7.853  -6.855  -6.855
  984   3HD2  LEU  32          1HD2      LEU  32  -6.171  -6.773  -6.773
  985    H    LYS  33           H        LYS  33  -8.701 -11.266 -11.266
  986    HA   LYS  33           HA       LYS  33 -10.040  -9.663  -9.663
  987   1HB   LYS  33          2HB       LYS  33 -10.917 -11.485 -11.485
  988   2HB   LYS  33          1HB       LYS  33 -10.359 -12.656 -12.656
  989   1HG   LYS  33          2HG       LYS  33 -12.794 -11.996 -11.996
  990   2HG   LYS  33          1HG       LYS  33 -11.826 -11.750 -11.750
  991   1HD   LYS  33          2HD       LYS  33 -11.716  -9.412  -9.412
  992   2HD   LYS  33          1HD       LYS  33 -12.203  -9.536  -9.536
  993   1HE   LYS  33          2HE       LYS  33 -14.075 -10.479 -10.479
  994   2HE   LYS  33          1HE       LYS  33 -13.995  -8.759  -8.759
  995   1HZ   LYS  33          1HZ       LYS  33 -13.977 -10.413 -10.413
  996   2HZ   LYS  33          3HZ       LYS  33 -15.352 -10.718 -10.718
  997   3HZ   LYS  33          2HZ       LYS  33 -15.029  -9.141  -9.141
  998    H    GLU  34           H        GLU  34  -8.299 -12.759 -12.759
  999    HA   GLU  34           HA       GLU  34  -8.498 -13.018 -13.018
 1000   1HB   GLU  34          2HB       GLU  34  -7.069 -14.153 -14.153
 1001   2HB   GLU  34          1HB       GLU  34  -5.800 -13.477 -13.477
 1002   1HG   GLU  34          2HG       GLU  34  -6.029 -15.302 -15.302
 1003   2HG   GLU  34          1HG       GLU  34  -7.608 -14.674 -14.674
 1004    H    LEU  35           H        LEU  35  -6.200 -11.110 -11.110
 1005    HA   LEU  35           HA       LEU  35  -4.626 -10.089 -10.089
 1006   1HB   LEU  35          2HB       LEU  35  -4.559 -10.000 -10.000
 1007   2HB   LEU  35          1HB       LEU  35  -5.269  -8.413  -8.413
 1008    HG   LEU  35           HG       LEU  35  -2.981  -9.100  -9.100
 1009   1HD1  LEU  35          2HD1      LEU  35  -2.641  -9.823  -9.823
 1010   2HD1  LEU  35          1HD1      LEU  35  -2.183  -8.121  -8.121
 1011   3HD1  LEU  35          3HD1      LEU  35  -1.336  -9.211  -9.211
 1012   1HD2  LEU  35          1HD2      LEU  35  -4.202  -6.907  -6.907
 1013   2HD2  LEU  35          3HD2      LEU  35  -2.477  -6.753  -6.753
 1014   3HD2  LEU  35          2HD2      LEU  35  -3.627  -6.663  -6.663
 1015    H    ILE  36           H        ILE  36  -7.839  -9.149  -9.149
 1016    HA   ILE  36           HA       ILE  36  -7.758  -6.655  -6.655
 1017    HB   ILE  36           HB       ILE  36 -10.342  -7.725  -7.725
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.011  -8.550  -8.550
 1019   2HG1  ILE  36          1HG1      ILE  36  -9.739  -7.035  -7.035
 1020   1HG2  ILE  36          1HG2      ILE  36  -9.899  -5.435  -5.435
 1021   2HG2  ILE  36          3HG2      ILE  36  -8.893  -5.131  -5.131
 1022   3HG2  ILE  36          2HG2      ILE  36 -10.616  -5.442  -5.442
 1023   1HD1  ILE  36          2HD1      ILE  36  -7.460  -6.089  -6.089
 1024   2HD1  ILE  36          1HD1      ILE  36  -6.905  -7.666  -7.666
 1025   3HD1  ILE  36          3HD1      ILE  36  -7.596  -6.531  -6.531
 1026    H    ASN  37           H        ASN  37  -9.424  -9.807  -9.807
 1027    HA   ASN  37           HA       ASN  37 -10.763  -9.236  -9.236
 1028   1HB   ASN  37          2HB       ASN  37 -11.933 -11.048 -11.048
 1029   2HB   ASN  37          1HB       ASN  37 -10.945 -11.037 -11.037
 1030   1HD2  ASN  37          2HD2      ASN  37  -9.654 -14.208 -14.208
 1031   2HD2  ASN  37          1HD2      ASN  37 -10.204 -13.125 -13.125
 1032    H    ASN  38           H        ASN  38  -7.530  -9.981  -9.981
 1033    HA   ASN  38           HA       ASN  38  -7.028 -11.675 -11.675
 1034   1HB   ASN  38          2HB       ASN  38  -5.560 -10.472 -10.472
 1035   2HB   ASN  38          1HB       ASN  38  -4.605 -10.725 -10.725
 1036   1HD2  ASN  38          2HD2      ASN  38  -4.233 -13.953 -13.953
 1037   2HD2  ASN  38          1HD2      ASN  38  -3.558 -12.396 -12.396
 1038    H    GLU  39           H        GLU  39  -7.034  -8.294  -8.294
 1039    HA   GLU  39           HA       GLU  39  -6.090  -7.562  -7.562
 1040   1HB   GLU  39          2HB       GLU  39  -6.007  -5.917  -5.917
 1041   2HB   GLU  39          1HB       GLU  39  -5.133  -5.625  -5.625
 1042   1HG   GLU  39          2HG       GLU  39  -3.418  -6.719  -6.719
 1043   2HG   GLU  39          1HG       GLU  39  -4.355  -8.190  -8.190
 1044    H    LEU  40           H        LEU  40  -8.225  -6.638  -6.638
 1045    HA   LEU  40           HA       LEU  40  -9.857  -4.923  -4.923
 1046   1HB   LEU  40          2HB       LEU  40  -9.780  -5.540  -5.540
 1047   2HB   LEU  40          1HB       LEU  40 -11.022  -4.515  -4.515
 1048    HG   LEU  40           HG       LEU  40  -8.318  -3.787  -3.787
 1049   1HD1  LEU  40          1HD1      LEU  40  -9.048  -3.754  -3.754
 1050   2HD1  LEU  40          3HD1      LEU  40  -7.817  -2.697  -2.697
 1051   3HD1  LEU  40          2HD1      LEU  40  -7.609  -4.447  -4.447
 1052   1HD2  LEU  40          3HD2      LEU  40 -10.429  -2.456  -2.456
 1053   2HD2  LEU  40          2HD2      LEU  40  -9.149  -1.556  -1.556
 1054   3HD2  LEU  40          1HD2      LEU  40 -10.484  -2.225  -2.225
 1055    H    SER  41           H        SER  41 -10.306  -7.238  -7.238
 1056    HA   SER  41           HA       SER  41 -11.849  -9.286  -9.286
 1057   1HB   SER  41          2HB       SER  41 -11.415  -7.928  -7.928
 1058   2HB   SER  41          1HB       SER  41 -13.086  -8.478  -8.478
 1059    HG   SER  41           HG       SER  41 -12.367 -10.419 -10.419
 1060    H    HIS  42           H        HIS  42 -12.874  -5.947  -5.947
 1061    HA   HIS  42           HA       HIS  42 -15.650  -6.081  -6.081
 1062   1HB   HIS  42          2HB       HIS  42 -13.654  -4.319  -4.319
 1063   2HB   HIS  42          1HB       HIS  42 -15.387  -4.004  -4.004
 1064    HD1  HIS  42           HD1      HIS  42 -15.627  -1.993  -1.993
 1065    HD2  HIS  42           HD2      HIS  42 -13.471  -5.064  -5.064
 1066    HE1  HIS  42           HE1      HIS  42 -15.271  -1.291  -1.291
 1067    H    PHE  43           H        PHE  43 -13.444  -6.514  -6.514
 1068    HA   PHE  43           HA       PHE  43 -15.568  -6.890  -6.890
 1069   1HB   PHE  43          2HB       PHE  43 -12.617  -7.580  -7.580
 1070   2HB   PHE  43          1HB       PHE  43 -13.631  -7.735  -7.735
 1071    HD1  PHE  43           HD1      PHE  43 -15.304  -5.460  -5.460
 1072    HD2  PHE  43           HD2      PHE  43 -11.286  -5.710  -5.710
 1073    HE1  PHE  43           HE1      PHE  43 -14.974  -3.045  -3.045
 1074    HE2  PHE  43           HE2      PHE  43 -10.949  -3.289  -3.289
 1075    HZ   PHE  43           HZ       PHE  43 -12.800  -1.960  -1.960
 1076    H    LEU  44           H        LEU  44 -14.091  -8.962  -8.962
 1077    HA   LEU  44           HA       LEU  44 -14.345 -11.527 -11.527
 1078   1HB   LEU  44          2HB       LEU  44 -13.694 -10.585 -10.585
 1079   2HB   LEU  44          1HB       LEU  44 -15.385 -10.933 -10.933
 1080    HG   LEU  44           HG       LEU  44 -15.086 -13.260 -13.260
 1081   1HD1  LEU  44          1HD1      LEU  44 -12.507 -12.148 -12.148
 1082   2HD1  LEU  44          3HD1      LEU  44 -12.465 -13.787 -13.787
 1083   3HD1  LEU  44          2HD1      LEU  44 -13.533 -13.401 -13.401
 1084   1HD2  LEU  44          1HD2      LEU  44 -13.140 -12.089 -12.089
 1085   2HD2  LEU  44          3HD2      LEU  44 -14.589 -13.048 -13.048
 1086   3HD2  LEU  44          2HD2      LEU  44 -13.135 -13.825 -13.825
 1087    H    GLU  45           H        GLU  45 -16.718  -9.371  -9.371
 1088    HA   GLU  45           HA       GLU  45 -19.005 -11.102 -11.102
 1089   1HB   GLU  45          2HB       GLU  45 -18.291  -9.101  -9.101
 1090   2HB   GLU  45          1HB       GLU  45 -19.674  -8.497  -8.497
 1091   1HG   GLU  45          2HG       GLU  45 -21.012  -9.825  -9.825
 1092   2HG   GLU  45          1HG       GLU  45 -20.212 -11.225 -11.225
 1093    H    GLU  46           H        GLU  46 -17.259  -8.249  -8.249
 1094    HA   GLU  46           HA       GLU  46 -17.456  -6.844  -6.844
 1095   1HB   GLU  46          2HB       GLU  46 -17.468  -9.220  -9.220
 1096   2HB   GLU  46          1HB       GLU  46 -19.224  -9.094  -9.094
 1097   1HG   GLU  46          2HG       GLU  46 -19.165  -7.432  -7.432
 1098   2HG   GLU  46          1HG       GLU  46 -17.524  -6.941  -6.941
 1099    H    ILE  47           H        ILE  47 -19.786  -7.219  -7.219
 1100    HA   ILE  47           HA       ILE  47 -21.933  -5.831  -5.831
 1101    HB   ILE  47           HB       ILE  47 -22.125  -8.093  -8.093
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.024  -6.863  -6.863
 1103   2HG1  ILE  47          1HG1      ILE  47 -24.425  -7.507  -7.507
 1104   1HG2  ILE  47          3HG2      ILE  47 -20.990  -7.162  -7.162
 1105   2HG2  ILE  47          2HG2      ILE  47 -22.376  -6.101  -6.101
 1106   3HG2  ILE  47          1HG2      ILE  47 -22.576  -7.853  -7.853
 1107   1HD1  ILE  47          1HD1      ILE  47 -23.542  -5.166  -5.166
 1108   2HD1  ILE  47          3HD1      ILE  47 -23.901  -4.669  -4.669
 1109   3HD1  ILE  47          2HD1      ILE  47 -25.184  -5.313  -5.313
 1110    H    LYS  48           H        LYS  48 -19.909  -5.728  -5.728
 1111    HA   LYS  48           HA       LYS  48 -20.971  -3.584  -3.584
 1112   1HB   LYS  48          2HB       LYS  48 -18.017  -3.893  -3.893
 1113   2HB   LYS  48          1HB       LYS  48 -18.760  -3.343  -3.343
 1114   1HG   LYS  48          2HG       LYS  48 -18.601  -6.144  -6.144
 1115   2HG   LYS  48          1HG       LYS  48 -18.118  -5.557  -5.557
 1116   1HD   LYS  48          2HD       LYS  48 -20.436  -5.232  -5.232
 1117   2HD   LYS  48          1HD       LYS  48 -20.985  -5.649  -5.649
 1118   1HE   LYS  48          2HE       LYS  48 -21.184  -7.765  -7.765
 1119   2HE   LYS  48          1HE       LYS  48 -19.420  -7.829  -7.829
 1120   1HZ   LYS  48          3HZ       LYS  48 -20.527  -6.508  -6.508
 1121   2HZ   LYS  48          2HZ       LYS  48 -20.474  -8.205  -8.205
 1122   3HZ   LYS  48          1HZ       LYS  48 -19.042  -7.305  -7.305
 1123    H    GLU  49           H        GLU  49 -19.485  -3.587  -3.587
 1124    HA   GLU  49           HA       GLU  49 -19.880  -0.627  -0.627
 1125   1HB   GLU  49          2HB       GLU  49 -17.668  -0.610  -0.610
 1126   2HB   GLU  49          1HB       GLU  49 -17.542  -0.918  -0.918
 1127   1HG   GLU  49          2HG       GLU  49 -17.730  -3.448  -3.448
 1128   2HG   GLU  49          1HG       GLU  49 -17.177  -2.819  -2.819
 1129    H    GLN  50           H        GLN  50 -21.773  -1.130  -1.130
 1130    HA   GLN  50           HA       GLN  50 -21.750  -2.851  -2.851
 1131   1HB   GLN  50          2HB       GLN  50 -23.438  -0.533  -0.533
 1132   2HB   GLN  50          1HB       GLN  50 -23.819  -1.410  -1.410
 1133   1HG   GLN  50          2HG       GLN  50 -23.726  -3.545  -3.545
 1134   2HG   GLN  50          1HG       GLN  50 -23.704  -2.498  -2.498
 1135   1HE2  GLN  50          2HE2      GLN  50 -27.157  -2.935  -2.935
 1136   2HE2  GLN  50          1HE2      GLN  50 -25.700  -3.570  -3.570
 1137    H    GLU  51           H        GLU  51 -21.906   0.740   0.740
 1138    HA   GLU  51           HA       GLU  51 -21.430   1.240   1.240
 1139   1HB   GLU  51          2HB       GLU  51 -21.908   2.897   2.897
 1140   2HB   GLU  51          1HB       GLU  51 -20.251   2.711   2.711
 1141   1HG   GLU  51          2HG       GLU  51 -19.435   3.397   3.397
 1142   2HG   GLU  51          1HG       GLU  51 -21.109   3.722   3.722
 1143    H    VAL  52           H        VAL  52 -19.025   0.383   0.383
 1144    HA   VAL  52           HA       VAL  52 -16.736   0.783   0.783
 1145    HB   VAL  52           HB       VAL  52 -16.970  -0.880  -0.880
 1146   1HG1  VAL  52          3HG1      VAL  52 -14.814  -0.205  -0.205
 1147   2HG1  VAL  52          2HG1      VAL  52 -14.542   0.600   0.600
 1148   3HG1  VAL  52          1HG1      VAL  52 -14.752  -1.150  -1.150
 1149   1HG2  VAL  52          2HG2      VAL  52 -17.768   1.695   1.695
 1150   2HG2  VAL  52          1HG2      VAL  52 -16.924   1.027   1.027
 1151   3HG2  VAL  52          3HG2      VAL  52 -16.033   1.949   1.949
 1152    H    VAL  53           H        VAL  53 -18.941  -1.821  -1.821
 1153    HA   VAL  53           HA       VAL  53 -17.405  -3.976  -3.976
 1154    HB   VAL  53           HB       VAL  53 -20.356  -3.499  -3.499
 1155   1HG1  VAL  53          3HG1      VAL  53 -18.911  -5.999  -5.999
 1156   2HG1  VAL  53          2HG1      VAL  53 -20.538  -6.003  -6.003
 1157   3HG1  VAL  53          1HG1      VAL  53 -20.217  -5.158  -5.158
 1158   1HG2  VAL  53          1HG2      VAL  53 -18.278  -3.891  -3.891
 1159   2HG2  VAL  53          3HG2      VAL  53 -19.950  -4.343  -4.343
 1160   3HG2  VAL  53          2HG2      VAL  53 -18.817  -5.547  -5.547
 1161    H    ASP  54           H        ASP  54 -19.484  -1.426  -1.426
 1162    HA   ASP  54           HA       ASP  54 -19.988  -2.453  -2.453
 1163   1HB   ASP  54          2HB       ASP  54 -21.504  -0.835  -0.835
 1164   2HB   ASP  54          1HB       ASP  54 -20.250   0.113   0.113
 1165    H    LYS  55           H        LYS  55 -17.684  -0.156  -0.156
 1166    HA   LYS  55           HA       LYS  55 -16.230   0.284   0.284
 1167   1HB   LYS  55          2HB       LYS  55 -15.988   1.006   1.006
 1168   2HB   LYS  55          1HB       LYS  55 -14.622   1.294   1.294
 1169   1HG   LYS  55          2HG       LYS  55 -15.657   3.242   3.242
 1170   2HG   LYS  55          1HG       LYS  55 -16.757   2.246   2.246
 1171   1HD   LYS  55          2HD       LYS  55 -18.260   2.030   2.030
 1172   2HD   LYS  55          1HD       LYS  55 -17.152   2.988   2.988
 1173   1HE   LYS  55          2HE       LYS  55 -17.672   4.449   4.449
 1174   2HE   LYS  55          1HE       LYS  55 -19.224   3.950   3.950
 1175   1HZ   LYS  55          2HZ       LYS  55 -17.090   4.933   4.933
 1176   2HZ   LYS  55          1HZ       LYS  55 -18.024   6.061   6.061
 1177   3HZ   LYS  55          3HZ       LYS  55 -18.774   4.988   4.988
 1178    H    VAL  56           H        VAL  56 -15.209  -1.102  -1.102
 1179    HA   VAL  56           HA       VAL  56 -12.821  -2.306  -2.306
 1180    HB   VAL  56           HB       VAL  56 -15.199  -3.428  -3.428
 1181   1HG1  VAL  56          3HG1      VAL  56 -13.332  -5.082  -5.082
 1182   2HG1  VAL  56          2HG1      VAL  56 -12.290  -4.133  -4.133
 1183   3HG1  VAL  56          1HG1      VAL  56 -13.712  -4.941  -4.941
 1184   1HG2  VAL  56          3HG2      VAL  56 -13.898  -1.119  -1.119
 1185   2HG2  VAL  56          2HG2      VAL  56 -14.516  -2.150  -2.150
 1186   3HG2  VAL  56          1HG2      VAL  56 -12.816  -2.234  -2.234
 1187    H    MET  57           H        MET  57 -16.041  -3.602  -3.602
 1188    HA   MET  57           HA       MET  57 -14.973  -6.007  -6.007
 1189   1HB   MET  57          2HB       MET  57 -17.665  -4.609  -4.609
 1190   2HB   MET  57          1HB       MET  57 -17.392  -6.176  -6.176
 1191   1HG   MET  57          2HG       MET  57 -16.824  -5.565  -5.565
 1192   2HG   MET  57          1HG       MET  57 -18.270  -6.387  -6.387
 1193   1HE   MET  57          1HE       MET  57 -18.536  -8.639  -8.639
 1194   2HE   MET  57          3HE       MET  57 -18.080  -8.626  -8.626
 1195   3HE   MET  57          2HE       MET  57 -17.443  -9.868  -9.868
 1196    H    GLU  58           H        GLU  58 -15.988  -2.790  -2.790
 1197    HA   GLU  58           HA       GLU  58 -16.158  -3.295  -3.295
 1198   1HB   GLU  58          2HB       GLU  58 -16.199  -0.976  -0.976
 1199   2HB   GLU  58          1HB       GLU  58 -16.540  -1.176  -1.176
 1200   1HG   GLU  58          2HG       GLU  58 -14.835   0.393   0.393
 1201   2HG   GLU  58          1HG       GLU  58 -13.896  -1.095  -1.095
 1202    H    THR  59           H        THR  59 -13.289  -2.835  -2.835
 1203    HA   THR  59           HA       THR  59 -11.498  -2.856  -2.856
 1204    HB   THR  59           HB       THR  59 -10.982  -2.768  -2.768
 1205    HG1  THR  59           HG1      THR  59 -11.273  -0.779  -0.779
 1206   1HG2  THR  59          2HG2      THR  59  -9.067  -3.533  -3.533
 1207   2HG2  THR  59          1HG2      THR  59  -9.171  -1.997  -1.997
 1208   3HG2  THR  59          3HG2      THR  59  -8.760  -2.020  -2.020
 1209    H    LEU  60           H        LEU  60 -12.487  -4.974  -4.974
 1210    HA   LEU  60           HA       LEU  60 -10.486  -7.032  -7.032
 1211   1HB   LEU  60          2HB       LEU  60 -11.881  -6.170  -6.170
 1212   2HB   LEU  60          1HB       LEU  60 -12.597  -7.738  -7.738
 1213    HG   LEU  60           HG       LEU  60  -9.693  -7.104  -7.104
 1214   1HD1  LEU  60          1HD1      LEU  60 -11.341  -7.588  -7.588
 1215   2HD1  LEU  60          3HD1      LEU  60 -11.510  -9.205  -9.205
 1216   3HD1  LEU  60          2HD1      LEU  60  -9.944  -8.663  -8.663
 1217   1HD2  LEU  60          2HD2      LEU  60 -10.974  -9.406  -9.406
 1218   2HD2  LEU  60          1HD2      LEU  60  -9.454  -8.580  -8.580
 1219   3HD2  LEU  60          3HD2      LEU  60  -9.556  -9.705  -9.705
 1220    H    ASP  61           H        ASP  61 -13.644  -6.215  -6.215
 1221    HA   ASP  61           HA       ASP  61 -14.534  -8.973  -8.973
 1222   1HB   ASP  61          2HB       ASP  61 -16.002  -7.121  -7.121
 1223   2HB   ASP  61          1HB       ASP  61 -15.786  -6.296  -6.296
 1224    H    SER  62           H        SER  62 -12.536  -6.775  -6.775
 1225    HA   SER  62           HA       SER  62 -13.257  -6.617  -6.617
 1226   1HB   SER  62          2HB       SER  62 -10.798  -6.715  -6.715
 1227   2HB   SER  62          1HB       SER  62 -11.180  -5.725  -5.725
 1228    HG   SER  62           HG       SER  62  -9.731  -7.031  -7.031
 1229    H    ASP  63           H        ASP  63 -12.305  -9.397  -9.397
 1230    HA   ASP  63           HA       ASP  63 -12.302 -11.693 -11.693
 1231   1HB   ASP  63          2HB       ASP  63 -14.626 -10.749 -10.749
 1232   2HB   ASP  63          1HB       ASP  63 -14.055 -10.990 -10.990
 1233    H    GLY  64           H        GLY  64 -11.083 -13.128 -13.128
 1234   1HA   GLY  64          2HA       GLY  64  -9.199 -13.623 -13.623
 1235   2HA   GLY  64          1HA       GLY  64 -10.460 -13.482 -13.482
 1236    H    ASP  65           H        ASP  65  -7.939 -11.624 -11.624
 1237    HA   ASP  65           HA       ASP  65  -6.782 -10.409 -10.409
 1238   1HB   ASP  65          2HB       ASP  65  -8.805  -9.416  -9.416
 1239   2HB   ASP  65          1HB       ASP  65  -9.314  -9.063  -9.063
 1240    H    GLY  66           H        GLY  66  -8.131  -9.277  -9.277
 1241   1HA   GLY  66          2HA       GLY  66  -5.972  -7.520  -7.520
 1242   2HA   GLY  66          1HA       GLY  66  -7.029  -8.291  -8.291
 1243    H    GLU  67           H        GLU  67  -4.097  -8.663  -8.663
 1244    HA   GLU  67           HA       GLU  67  -3.366 -11.143 -11.143
 1245   1HB   GLU  67          2HB       GLU  67  -1.754 -11.218 -11.218
 1246   2HB   GLU  67          1HB       GLU  67  -2.876 -10.112 -10.112
 1247   1HG   GLU  67          2HG       GLU  67  -1.581  -8.193  -8.193
 1248   2HG   GLU  67          1HG       GLU  67  -0.451  -9.306  -9.306
 1249    H    CYS  68           H        CYS  68  -3.069 -10.717 -10.717
 1250    HA   CYS  68           HA       CYS  68  -2.088  -8.127  -8.127
 1251   1HB   CYS  68          2HB       CYS  68  -2.697 -10.650 -10.650
 1252   2HB   CYS  68          1HB       CYS  68  -2.680  -9.005  -9.005
 1253    HG   CYS  68           HG       CYS  68  -5.124 -10.129 -10.129
 1254    H    ASP  69           H        ASP  69  -0.187  -7.615  -7.615
 1255    HA   ASP  69           HA       ASP  69   1.715  -9.614  -9.614
 1256   1HB   ASP  69          2HB       ASP  69   2.628  -9.794  -9.794
 1257   2HB   ASP  69          1HB       ASP  69   1.813  -8.352  -8.352
 1258    H    PHE  70           H        PHE  70   3.658  -8.296  -8.296
 1259    HA   PHE  70           HA       PHE  70   3.436  -6.640  -6.640
 1260   1HB   PHE  70          2HB       PHE  70   4.988  -5.732  -5.732
 1261   2HB   PHE  70          1HB       PHE  70   5.363  -5.363  -5.363
 1262    HD1  PHE  70           HD2      PHE  70   5.209  -7.720  -7.720
 1263    HD2  PHE  70           HD1      PHE  70   6.428  -7.309  -7.309
 1264    HE1  PHE  70           HE2      PHE  70   6.550  -9.801  -9.801
 1265    HE2  PHE  70           HE1      PHE  70   7.763  -9.389  -9.389
 1266    HZ   PHE  70           HZ       PHE  70   7.818 -10.634 -10.634
 1267    H    GLN  71           H        GLN  71   2.829  -5.221  -5.221
 1268    HA   GLN  71           HA       GLN  71   2.134  -2.606  -2.606
 1269   1HB   GLN  71          2HB       GLN  71   2.630  -2.435  -2.435
 1270   2HB   GLN  71          1HB       GLN  71   2.263  -4.128  -4.128
 1271   1HG   GLN  71          2HG       GLN  71  -0.088  -2.336  -2.336
 1272   2HG   GLN  71          1HG       GLN  71   0.817  -2.094  -2.094
 1273   1HE2  GLN  71          2HE2      GLN  71  -1.661  -4.689  -4.689
 1274   2HE2  GLN  71          1HE2      GLN  71  -1.608  -3.008  -3.008
 1275    H    GLU  72           H        GLU  72  -0.066  -5.104  -5.104
 1276    HA   GLU  72           HA       GLU  72  -2.497  -3.844  -3.844
 1277   1HB   GLU  72          2HB       GLU  72  -1.597  -6.708  -6.708
 1278   2HB   GLU  72          1HB       GLU  72  -3.303  -6.272  -6.272
 1279   1HG   GLU  72          2HG       GLU  72  -2.598  -4.802  -4.802
 1280   2HG   GLU  72          1HG       GLU  72  -1.538  -6.203  -6.203
 1281    H    PHE  73           H        PHE  73  -1.334  -6.285  -6.285
 1282    HA   PHE  73           HA       PHE  73  -3.064  -5.958  -5.958
 1283   1HB   PHE  73          2HB       PHE  73  -1.453  -7.492  -7.492
 1284   2HB   PHE  73          1HB       PHE  73  -0.191  -6.544  -6.544
 1285    HD1  PHE  73           HD2      PHE  73  -2.474  -5.569  -5.569
 1286    HD2  PHE  73           HD1      PHE  73   1.540  -6.491  -6.491
 1287    HE1  PHE  73           HE2      PHE  73  -1.635  -4.848  -4.848
 1288    HE2  PHE  73           HE1      PHE  73   2.380  -5.783  -5.783
 1289    HZ   PHE  73           HZ       PHE  73   0.791  -4.959  -4.959
 1290    H    MET  74           H        MET  74  -0.175  -3.826  -3.826
 1291    HA   MET  74           HA       MET  74  -1.094  -2.079  -2.079
 1292   1HB   MET  74          2HB       MET  74   0.900  -1.794  -1.794
 1293   2HB   MET  74          1HB       MET  74   0.731  -0.626  -0.626
 1294   1HG   MET  74          2HG       MET  74   1.129  -2.520  -2.520
 1295   2HG   MET  74          1HG       MET  74   1.524  -3.538  -3.538
 1296   1HE   MET  74          2HE       MET  74   2.186  -0.322  -0.322
 1297   2HE   MET  74          1HE       MET  74   3.706   0.301   0.301
 1298   3HE   MET  74          3HE       MET  74   2.244   0.340   0.340
 1299    H    ALA  75           H        ALA  75  -1.528  -2.255  -2.255
 1300    HA   ALA  75           HA       ALA  75  -2.629   0.385   0.385
 1301   1HB   ALA  75          3HB       ALA  75  -1.662  -1.419  -1.419
 1302   2HB   ALA  75          2HB       ALA  75  -3.289  -2.102  -2.102
 1303   3HB   ALA  75          1HB       ALA  75  -3.036  -0.462  -0.462
 1304    H    PHE  76           H        PHE  76  -4.312  -2.750  -2.750
 1305    HA   PHE  76           HA       PHE  76  -6.921  -1.709  -1.709
 1306   1HB   PHE  76          2HB       PHE  76  -6.482  -3.897  -3.897
 1307   2HB   PHE  76          1HB       PHE  76  -5.654  -4.393  -4.393
 1308    HD1  PHE  76           HD1      PHE  76  -8.979  -2.928  -2.928
 1309    HD2  PHE  76           HD2      PHE  76  -6.841  -5.788  -5.788
 1310    HE1  PHE  76           HE1      PHE  76 -11.126  -3.775  -3.775
 1311    HE2  PHE  76           HE2      PHE  76  -8.986  -6.633  -6.633
 1312    HZ   PHE  76           HZ       PHE  76 -11.129  -5.628  -5.628
 1313    H    VAL  77           H        VAL  77  -4.831  -3.169  -3.169
 1314    HA   VAL  77           HA       VAL  77  -6.582  -3.014  -3.014
 1315    HB   VAL  77           HB       VAL  77  -4.157  -3.765  -3.765
 1316   1HG1  VAL  77          2HG1      VAL  77  -3.328  -1.677  -1.677
 1317   2HG1  VAL  77          1HG1      VAL  77  -3.664  -0.807  -0.807
 1318   3HG1  VAL  77          3HG1      VAL  77  -2.447  -2.084  -2.084
 1319   1HG2  VAL  77          3HG2      VAL  77  -5.453  -3.528  -3.528
 1320   2HG2  VAL  77          2HG2      VAL  77  -3.759  -3.104  -3.104
 1321   3HG2  VAL  77          1HG2      VAL  77  -4.973  -1.834  -1.834
 1322    H    ALA  78           H        ALA  78  -4.683  -0.361  -0.361
 1323    HA   ALA  78           HA       ALA  78  -5.685   1.681   1.681
 1324   1HB   ALA  78          2HB       ALA  78  -3.791   1.623   1.623
 1325   2HB   ALA  78          1HB       ALA  78  -5.108   2.393   2.393
 1326   3HB   ALA  78          3HB       ALA  78  -4.482   3.138   3.138
 1327    H    MET  79           H        MET  79  -6.713   0.423   0.423
 1328    HA   MET  79           HA       MET  79  -9.007   2.084   2.084
 1329   1HB   MET  79          2HB       MET  79  -7.661   0.401   0.401
 1330   2HB   MET  79          1HB       MET  79  -8.833  -0.775  -0.775
 1331   1HG   MET  79          2HG       MET  79  -9.601   1.860   1.860
 1332   2HG   MET  79          1HG       MET  79  -9.500   0.339   0.339
 1333   1HE   MET  79          2HE       MET  79 -11.234   2.738   2.738
 1334   2HE   MET  79          1HE       MET  79 -12.823   2.128   2.128
 1335   3HE   MET  79          3HE       MET  79 -12.371   2.242   2.242
 1336    H    ILE  80           H        ILE  80  -8.548  -0.813  -0.813
 1337    HA   ILE  80           HA       ILE  80 -11.400  -1.330  -1.330
 1338    HB   ILE  80           HB       ILE  80  -9.033  -1.992  -1.992
 1339   1HG1  ILE  80          2HG1      ILE  80 -10.181  -3.623  -3.623
 1340   2HG1  ILE  80          1HG1      ILE  80  -8.737  -2.636  -2.636
 1341   1HG2  ILE  80          1HG2      ILE  80 -11.686  -2.364  -2.364
 1342   2HG2  ILE  80          3HG2      ILE  80 -11.302  -3.861  -3.861
 1343   3HG2  ILE  80          2HG2      ILE  80 -10.423  -3.429  -3.429
 1344   1HD1  ILE  80          1HD1      ILE  80  -8.069  -3.983  -3.983
 1345   2HD1  ILE  80          3HD1      ILE  80  -9.137  -5.181  -5.181
 1346   3HD1  ILE  80          2HD1      ILE  80  -7.721  -4.605  -4.605
 1347    H    THR  81           H        THR  81  -8.875  -0.171  -0.171
 1348    HA   THR  81           HA       THR  81 -10.579   0.925   0.925
 1349    HB   THR  81           HB       THR  81  -7.783   1.812   1.812
 1350    HG1  THR  81           HG1      THR  81  -8.661  -0.491  -0.491
 1351   1HG2  THR  81          3HG2      THR  81  -9.172   2.891   2.891
 1352   2HG2  THR  81          2HG2      THR  81  -8.937   1.361   1.361
 1353   3HG2  THR  81          1HG2      THR  81  -7.542   2.340   2.340
 1354    H    THR  82           H        THR  82  -9.482   2.264   2.264
 1355    HA   THR  82           HA       THR  82  -9.819   5.039   5.039
 1356    HB   THR  82           HB       THR  82 -10.501   4.966   4.966
 1357    HG1  THR  82           HG1      THR  82 -11.121   2.828   2.828
 1358   1HG2  THR  82          1HG2      THR  82  -7.966   4.688   4.688
 1359   2HG2  THR  82          3HG2      THR  82  -7.922   3.782   3.782
 1360   3HG2  THR  82          2HG2      THR  82  -8.327   5.493   5.493
 1361    H    ALA  83           H        ALA  83 -12.176   2.535   2.535
 1362    HA   ALA  83           HA       ALA  83 -14.453   4.135   4.135
 1363   1HB   ALA  83          3HB       ALA  83 -13.834   1.376   1.376
 1364   2HB   ALA  83          2HB       ALA  83 -15.490   1.932   1.932
 1365   3HB   ALA  83          1HB       ALA  83 -14.797   1.911   1.911
 1366    H    CYS  84           H        CYS  84 -12.770   3.546   3.546
 1367    HA   CYS  84           HA       CYS  84 -14.774   3.810   3.810
 1368   1HB   CYS  84          2HB       CYS  84 -11.900   4.681   4.681
 1369   2HB   CYS  84          1HB       CYS  84 -12.811   5.011   5.011
 1370    HG   CYS  84           HG       CYS  84 -13.330   2.271   2.271
 1371    H    HIS  85           H        HIS  85 -12.741   6.640   6.640
 1372    HA   HIS  85           HA       HIS  85 -14.372   8.549   8.549
 1373   1HB   HIS  85          2HB       HIS  85 -15.488   7.410   7.410
 1374   2HB   HIS  85          1HB       HIS  85 -15.230   9.140   9.140
 1375    HD1  HIS  85           HD1      HIS  85 -18.100   7.936   7.936
 1376    HD2  HIS  85           HD2      HIS  85 -15.889   9.530   9.530
 1377    HE1  HIS  85           HE1      HIS  85 -19.773   8.606   8.606
 1378    H    GLU  86           H        GLU  86 -14.101  10.821  10.821
 1379    HA   GLU  86           HA       GLU  86 -12.618  12.424  12.424
 1380   1HB   GLU  86          2HB       GLU  86 -12.794  10.519  10.519
 1381   2HB   GLU  86          1HB       GLU  86 -11.143  10.154  10.154
 1382   1HG   GLU  86          2HG       GLU  86 -10.797  12.753  12.753
 1383   2HG   GLU  86          1HG       GLU  86 -12.211  12.629  12.629
 1384    H    PHE  87           H        PHE  87  -9.754  11.372  11.372
 1385    HA   PHE  87           HA       PHE  87  -8.306  12.327  12.327
 1386   1HB   PHE  87          2HB       PHE  87  -6.496  11.082  11.082
 1387   2HB   PHE  87          1HB       PHE  87  -7.614  11.241  11.241
 1388    HD1  PHE  87           HD2      PHE  87  -9.057   9.403   9.403
 1389    HD2  PHE  87           HD1      PHE  87  -6.182   8.933   8.933
 1390    HE1  PHE  87           HE2      PHE  87  -9.409   6.957   6.957
 1391    HE2  PHE  87           HE1      PHE  87  -6.562   6.476   6.476
 1392    HZ   PHE  87           HZ       PHE  87  -8.169   5.498   5.498
 1393    H    PHE  88           H        PHE  88  -9.602   8.936   8.936
 1394    HA   PHE  88           HA       PHE  88  -8.411   8.305   8.305
 1395   1HB   PHE  88          2HB       PHE  88  -9.882   6.881   6.881
 1396   2HB   PHE  88          1HB       PHE  88 -10.440   6.415   6.415
 1397    HD1  PHE  88           HD2      PHE  88  -7.500   7.240   7.240
 1398    HD2  PHE  88           HD1      PHE  88  -8.969   4.495   4.495
 1399    HE1  PHE  88           HE2      PHE  88  -5.411   5.945   5.945
 1400    HE2  PHE  88           HE1      PHE  88  -6.879   3.162   3.162
 1401    HZ   PHE  88           HZ       PHE  88  -5.112   3.880   3.880
 1402    H    GLU  89           H        GLU  89 -11.137  10.049  10.049
 1403    HA   GLU  89           HA       GLU  89 -13.290   9.487   9.487
 1404   1HB   GLU  89          2HB       GLU  89 -12.970  11.530  11.530
 1405   2HB   GLU  89          1HB       GLU  89 -11.816  12.130  12.130
 1406   1HG   GLU  89          2HG       GLU  89 -13.540  12.219  12.219
 1407   2HG   GLU  89          1HG       GLU  89 -14.708  11.480  11.480
 1408    H    HIS  90           H        HIS  90 -13.053   8.396   8.396
 1409    HA   HIS  90           HA       HIS  90 -11.209   8.480   8.480
 1410   1HB   HIS  90          2HB       HIS  90 -14.234   8.518   8.518
 1411   2HB   HIS  90          1HB       HIS  90 -13.188   8.083   8.083
 1412    HD1  HIS  90           HD1      HIS  90 -14.226   5.651   5.651
 1413    HD2  HIS  90           HD2      HIS  90 -12.039   6.755   6.755
 1414    HE1  HIS  90           HE1      HIS  90 -13.774   3.521   3.521
 1415    H    GLU  91           H        GLU  91 -14.128  10.514  10.514
 1416    HA   GLU  91           HA       GLU  91 -12.436  12.519  12.519
 1417   1HB   GLU  91          2HB       GLU  91 -15.250  11.516  11.516
 1418   2HB   GLU  91          1HB       GLU  91 -14.949  13.187  13.187
 1419   1HG   GLU  91          2HG       GLU  91 -13.387  12.530  12.530
 1420   2HG   GLU  91          1HG       GLU  91 -13.312  10.879  10.879

  Start of MODEL   25
    1   1H    MET   0          2H        MET   0  -0.929  -9.767  -9.767
    2   2H    MET   0          1H        MET   0  -1.101 -11.408 -11.408
    3   3H    MET   0          3H        MET   0  -1.094 -10.233 -10.233
    4    HA   MET   0           HA       MET   0  -3.355 -10.826 -10.826
    5   1HB   MET   0          2HB       MET   0  -3.011 -12.037 -12.037
    6   2HB   MET   0          1HB       MET   0  -2.626 -10.543 -10.543
    7   1HG   MET   0          2HG       MET   0  -5.090  -9.979  -9.979
    8   2HG   MET   0          1HG       MET   0  -5.245 -11.680 -11.680
    9   1HE   MET   0          2HE       MET   0  -7.189  -9.985  -9.985
   10   2HE   MET   0          1HE       MET   0  -6.792  -9.044  -9.044
   11   3HE   MET   0          3HE       MET   0  -6.261  -8.496  -8.496
   12    H    SER   1           H        SER   1  -2.758  -8.643  -8.643
   13    HA   SER   1           HA       SER   1  -4.374  -6.549  -6.549
   14   1HB   SER   1          2HB       SER   1  -3.346  -7.282  -7.282
   15   2HB   SER   1          1HB       SER   1  -3.383  -5.546  -5.546
   16    HG   SER   1           HG       SER   1  -5.365  -6.458  -6.458
   17    H    GLU   2           H        GLU   2  -1.059  -7.389  -7.389
   18    HA   GLU   2           HA       GLU   2   0.417  -5.064  -5.064
   19   1HB   GLU   2          2HB       GLU   2   0.563  -7.281  -7.281
   20   2HB   GLU   2          1HB       GLU   2   1.867  -6.130  -6.130
   21   1HG   GLU   2          2HG       GLU   2   1.333  -6.972  -6.972
   22   2HG   GLU   2          1HG       GLU   2   0.979  -8.436  -8.436
   23    H    LEU   3           H        LEU   3  -1.767  -5.962  -5.962
   24    HA   LEU   3           HA       LEU   3  -0.946  -3.790  -3.790
   25   1HB   LEU   3          2HB       LEU   3  -3.445  -5.511  -5.511
   26   2HB   LEU   3          1HB       LEU   3  -2.824  -4.612  -4.612
   27    HG   LEU   3           HG       LEU   3  -0.644  -6.128  -6.128
   28   1HD1  LEU   3          1HD1      LEU   3  -2.953  -7.335  -7.335
   29   2HD1  LEU   3          3HD1      LEU   3  -2.561  -8.272  -8.272
   30   3HD1  LEU   3          2HD1      LEU   3  -1.359  -8.073  -8.073
   31   1HD2  LEU   3          1HD2      LEU   3  -2.426  -5.878  -5.878
   32   2HD2  LEU   3          3HD2      LEU   3  -0.708  -6.270  -6.270
   33   3HD2  LEU   3          2HD2      LEU   3  -1.907  -7.552  -7.552
   34    H    GLU   4           H        GLU   4  -4.088  -4.410  -4.410
   35    HA   GLU   4           HA       GLU   4  -5.325  -1.945  -1.945
   36   1HB   GLU   4          2HB       GLU   4  -6.350  -3.825  -3.825
   37   2HB   GLU   4          1HB       GLU   4  -5.188  -3.714  -3.714
   38   1HG   GLU   4          2HG       GLU   4  -6.364  -1.146  -1.146
   39   2HG   GLU   4          1HG       GLU   4  -7.679  -2.321  -2.321
   40    H    LYS   5           H        LYS   5  -2.976  -2.832  -2.832
   41    HA   LYS   5           HA       LYS   5  -2.886  -0.256  -0.256
   42   1HB   LYS   5          2HB       LYS   5  -0.691  -2.342  -2.342
   43   2HB   LYS   5          1HB       LYS   5  -1.053  -1.264  -1.264
   44   1HG   LYS   5          2HG       LYS   5  -3.390  -2.871  -2.871
   45   2HG   LYS   5          1HG       LYS   5  -1.997  -3.899  -3.899
   46   1HD   LYS   5          2HD       LYS   5  -1.711  -3.013  -3.013
   47   2HD   LYS   5          1HD       LYS   5  -2.711  -1.604  -1.604
   48   1HE   LYS   5          2HE       LYS   5  -4.716  -3.022  -3.022
   49   2HE   LYS   5          1HE       LYS   5  -3.727  -4.466  -4.466
   50   1HZ   LYS   5          1HZ       LYS   5  -3.454  -2.201  -2.201
   51   2HZ   LYS   5          3HZ       LYS   5  -4.837  -3.172  -3.172
   52   3HZ   LYS   5          2HZ       LYS   5  -3.293  -3.865  -3.865
   53    H    ALA   6           H        ALA   6  -1.120  -1.750  -1.750
   54    HA   ALA   6           HA       ALA   6   0.745   0.452   0.452
   55   1HB   ALA   6          2HB       ALA   6  -0.077  -2.063  -2.063
   56   2HB   ALA   6          1HB       ALA   6   0.464  -0.812  -0.812
   57   3HB   ALA   6          3HB       ALA   6   1.535  -1.368  -1.368
   58    H    VAL   7           H        VAL   7  -2.404  -0.518  -0.518
   59    HA   VAL   7           HA       VAL   7  -2.871   1.421   1.421
   60    HB   VAL   7           HB       VAL   7  -4.278  -0.427  -0.427
   61   1HG1  VAL   7          3HG1      VAL   7  -5.616   2.187   2.187
   62   2HG1  VAL   7          2HG1      VAL   7  -6.531   0.711   0.711
   63   3HG1  VAL   7          1HG1      VAL   7  -5.500   1.388   1.388
   64   1HG2  VAL   7          3HG2      VAL   7  -3.934   0.043   0.043
   65   2HG2  VAL   7          2HG2      VAL   7  -4.938  -1.211  -1.211
   66   3HG2  VAL   7          1HG2      VAL   7  -5.651   0.341   0.341
   67    H    VAL   8           H        VAL   8  -3.662   1.608   1.608
   68    HA   VAL   8           HA       VAL   8  -4.490   4.281   4.281
   69    HB   VAL   8           HB       VAL   8  -2.932   2.392   2.392
   70   1HG1  VAL   8          2HG1      VAL   8  -2.053   4.651   4.651
   71   2HG1  VAL   8          1HG1      VAL   8  -3.702   5.235   5.235
   72   3HG1  VAL   8          3HG1      VAL   8  -3.031   4.034   4.034
   73   1HG2  VAL   8          1HG2      VAL   8  -5.694   3.594   3.594
   74   2HG2  VAL   8          3HG2      VAL   8  -5.232   1.893   1.893
   75   3HG2  VAL   8          2HG2      VAL   8  -5.064   2.898   2.898
   76    H    ALA   9           H        ALA   9  -1.224   2.904   2.904
   77    HA   ALA   9           HA       ALA   9   0.253   5.366   5.366
   78   1HB   ALA   9          3HB       ALA   9   0.684   2.578   2.578
   79   2HB   ALA   9          2HB       ALA   9   1.536   3.368   3.368
   80   3HB   ALA   9          1HB       ALA   9   1.898   3.811   3.811
   81    H    LEU  10           H        LEU  10  -1.246   3.666   3.666
   82    HA   LEU  10           HA       LEU  10   0.024   5.237   5.237
   83   1HB   LEU  10          2HB       LEU  10  -2.546   3.615   3.615
   84   2HB   LEU  10          1HB       LEU  10  -1.658   4.103   4.103
   85    HG   LEU  10           HG       LEU  10  -0.450   2.427   2.427
   86   1HD1  LEU  10          1HD1      LEU  10  -2.362   1.666   1.666
   87   2HD1  LEU  10          3HD1      LEU  10  -0.809   0.930   0.930
   88   3HD1  LEU  10          2HD1      LEU  10  -1.542   0.641   0.641
   89   1HD2  LEU  10          3HD2      LEU  10   0.456   3.547   3.547
   90   2HD2  LEU  10          2HD2      LEU  10   1.381   3.193   3.193
   91   3HD2  LEU  10          1HD2      LEU  10   0.954   1.890   1.890
   92    H    ILE  11           H        ILE  11  -2.696   5.660   5.660
   93    HA   ILE  11           HA       ILE  11  -3.992   7.767   7.767
   94    HB   ILE  11           HB       ILE  11  -5.704   7.467   7.467
   95   1HG1  ILE  11          2HG1      ILE  11  -5.321   7.298   7.298
   96   2HG1  ILE  11          1HG1      ILE  11  -3.627   7.633   7.633
   97   1HG2  ILE  11          1HG2      ILE  11  -4.883   5.092   5.092
   98   2HG2  ILE  11          3HG2      ILE  11  -4.045   5.253   5.253
   99   3HG2  ILE  11          2HG2      ILE  11  -5.793   5.350   5.350
  100   1HD1  ILE  11          3HD1      ILE  11  -5.097   9.543   9.543
  101   2HD1  ILE  11          2HD1      ILE  11  -5.849   9.477   9.477
  102   3HD1  ILE  11          1HD1      ILE  11  -4.128   9.828   9.828
  103    H    ASP  12           H        ASP  12  -1.875   7.520   7.520
  104    HA   ASP  12           HA       ASP  12  -1.690  10.330  10.330
  105   1HB   ASP  12          2HB       ASP  12  -0.602   7.860   7.860
  106   2HB   ASP  12          1HB       ASP  12   0.780   8.847   8.847
  107    H    VAL  13           H        VAL  13  -0.212   8.142   8.142
  108    HA   VAL  13           HA       VAL  13   1.830   9.920   9.920
  109    HB   VAL  13           HB       VAL  13   0.377   7.554   7.554
  110   1HG1  VAL  13          2HG1      VAL  13   1.784   9.222   9.222
  111   2HG1  VAL  13          1HG1      VAL  13   3.165   8.449   8.449
  112   3HG1  VAL  13          3HG1      VAL  13   2.042   7.486   7.486
  113   1HG2  VAL  13          1HG2      VAL  13   1.932   7.584   7.584
  114   2HG2  VAL  13          3HG2      VAL  13   1.750   6.189   6.189
  115   3HG2  VAL  13          2HG2      VAL  13   3.133   7.267   7.267
  116    H    PHE  14           H        PHE  14  -1.248   8.855   8.855
  117    HA   PHE  14           HA       PHE  14  -1.171  10.831  10.831
  118   1HB   PHE  14          2HB       PHE  14  -3.347   9.122   9.122
  119   2HB   PHE  14          1HB       PHE  14  -3.852  10.638  10.638
  120    HD1  PHE  14           HD2      PHE  14  -0.814   9.022   9.022
  121    HD2  PHE  14           HD1      PHE  14  -4.985   9.687   9.687
  122    HE1  PHE  14           HE2      PHE  14  -0.540   8.244   8.244
  123    HE2  PHE  14           HE1      PHE  14  -4.701   8.917   8.917
  124    HZ   PHE  14           HZ       PHE  14  -2.473   8.175   8.175
  125    H    HIS  15           H        HIS  15  -2.420  11.021  11.021
  126    HA   HIS  15           HA       HIS  15  -3.681  13.486  13.486
  127   1HB   HIS  15          2HB       HIS  15  -3.251  11.955  11.955
  128   2HB   HIS  15          1HB       HIS  15  -1.543  12.385  12.385
  129    HD1  HIS  15           HD1      HIS  15  -4.913  14.131  14.131
  130    HD2  HIS  15           HD2      HIS  15  -0.937  14.560  14.560
  131    HE1  HIS  15           HE1      HIS  15  -4.843  16.106  16.106
  132    H    GLN  16           H        GLN  16  -0.146  13.011  13.011
  133    HA   GLN  16           HA       GLN  16   0.415  15.854  15.854
  134   1HB   GLN  16          2HB       GLN  16   2.119  13.328  13.328
  135   2HB   GLN  16          1HB       GLN  16   2.753  14.981  14.981
  136   1HG   GLN  16          2HG       GLN  16   0.755  14.574  14.574
  137   2HG   GLN  16          1HG       GLN  16   2.086  13.426  13.426
  138   1HE2  GLN  16          2HE2      GLN  16   4.551  16.080  16.080
  139   2HE2  GLN  16          1HE2      GLN  16   4.369  14.602  14.602
  140    H    TYR  17           H        TYR  17   1.539  13.000  13.000
  141    HA   TYR  17           HA       TYR  17   2.372  14.027  14.027
  142   1HB   TYR  17          2HB       TYR  17   0.832  11.580  11.580
  143   2HB   TYR  17          1HB       TYR  17   1.279  11.809  11.809
  144    HD1  TYR  17           HD1      TYR  17   3.656  12.127  12.127
  145    HD2  TYR  17           HD2      TYR  17   2.469  11.022  11.022
  146    HE1  TYR  17           HE1      TYR  17   5.960  11.382  11.382
  147    HE2  TYR  17           HE2      TYR  17   4.771  10.235  10.235
  148    HH   TYR  17           HH       TYR  17   6.887  10.202  10.202
  149    H    SER  18           H        SER  18  -0.925  12.687  12.687
  150    HA   SER  18           HA       SER  18  -1.783  14.352  14.352
  151   1HB   SER  18          2HB       SER  18  -3.209  12.386  12.386
  152   2HB   SER  18          1HB       SER  18  -3.871  13.039  13.039
  153    HG   SER  18           HG       SER  18  -2.852  11.439  11.439
  154    H    GLY  19           H        GLY  19  -1.318  15.253  15.253
  155   1HA   GLY  19          2HA       GLY  19  -3.579  17.174  17.174
  156   2HA   GLY  19          1HA       GLY  19  -3.409  16.220  16.220
  157    H    ARG  20           H        ARG  20  -0.551  17.282  17.282
  158    HA   ARG  20           HA       ARG  20  -0.032  19.258  19.258
  159   1HB   ARG  20          2HB       ARG  20   2.300  18.612  18.612
  160   2HB   ARG  20          1HB       ARG  20   1.354  17.130  17.130
  161   1HG   ARG  20          2HG       ARG  20   1.370  17.023  17.023
  162   2HG   ARG  20          1HG       ARG  20   2.511  18.366  18.366
  163   1HD   ARG  20          2HD       ARG  20   3.120  15.972  15.972
  164   2HD   ARG  20          1HD       ARG  20   3.418  15.876  15.876
  165    HE   ARG  20           HE       ARG  20   4.972  17.440  17.440
  166   1HH1  ARG  20          1HH2      ARG  20   4.200  16.852  16.852
  167   2HH1  ARG  20          2HH2      ARG  20   5.041  18.236  18.236
  168   1HH2  ARG  20          2HH1      ARG  20   5.780  19.513  19.513
  169   2HH2  ARG  20          1HH1      ARG  20   5.936  19.741  19.741
  170    H    GLU  21           H        GLU  21  -1.034  19.270  19.270
  171    HA   GLU  21           HA       GLU  21   0.557  21.699  21.699
  172   1HB   GLU  21          2HB       GLU  21   0.412  19.078  19.078
  173   2HB   GLU  21          1HB       GLU  21   0.070  20.420  20.420
  174   1HG   GLU  21          2HG       GLU  21   2.272  21.221  21.221
  175   2HG   GLU  21          1HG       GLU  21   2.609  19.574  19.574
  176    H    GLY  22           H        GLY  22  -1.775  19.975  19.975
  177   1HA   GLY  22          2HA       GLY  22  -3.878  21.968  21.968
  178   2HA   GLY  22          1HA       GLY  22  -3.344  21.851  21.851
  179    H    ASP  23           H        ASP  23  -3.137  19.255  19.255
  180    HA   ASP  23           HA       ASP  23  -5.659  18.258  18.258
  181   1HB   ASP  23          2HB       ASP  23  -4.511  16.038  16.038
  182   2HB   ASP  23          1HB       ASP  23  -3.559  17.309  17.309
  183    H    LYS  24           H        LYS  24  -6.926  16.509  16.509
  184    HA   LYS  24           HA       LYS  24  -6.940  16.855  16.855
  185   1HB   LYS  24          2HB       LYS  24  -8.865  16.616  16.616
  186   2HB   LYS  24          1HB       LYS  24  -9.145  15.340  15.340
  187   1HG   LYS  24          2HG       LYS  24 -10.186  16.878  16.878
  188   2HG   LYS  24          1HG       LYS  24  -8.608  17.625  17.625
  189   1HD   LYS  24          2HD       LYS  24  -9.870  19.401  19.401
  190   2HD   LYS  24          1HD       LYS  24  -9.057  18.774  18.774
  191   1HE   LYS  24          2HE       LYS  24 -11.043  18.260  18.260
  192   2HE   LYS  24          1HE       LYS  24 -11.543  17.340  17.340
  193   1HZ   LYS  24          2HZ       LYS  24 -11.514  20.304  20.304
  194   2HZ   LYS  24          1HZ       LYS  24 -12.889  19.395  19.395
  195   3HZ   LYS  24          3HZ       LYS  24 -12.249  19.296  19.296
  196    H    HIS  25           H        HIS  25  -8.019  14.074  14.074
  197    HA   HIS  25           HA       HIS  25  -6.305  12.330  12.330
  198   1HB   HIS  25          2HB       HIS  25  -9.065  12.094  12.094
  199   2HB   HIS  25          1HB       HIS  25  -8.202  10.668  10.668
  200    HD1  HIS  25           HD1      HIS  25 -10.507  10.980  10.980
  201    HD2  HIS  25           HD2      HIS  25  -7.170  13.388  13.388
  202    HE1  HIS  25           HE1      HIS  25 -10.723  11.853  11.853
  203    H    LYS  26           H        LYS  26  -4.949  13.226  13.226
  204    HA   LYS  26           HA       LYS  26  -4.644  10.887  10.887
  205   1HB   LYS  26          2HB       LYS  26  -5.386  13.679  13.679
  206   2HB   LYS  26          1HB       LYS  26  -4.711  12.460  12.460
  207   1HG   LYS  26          2HG       LYS  26  -6.912  11.948  11.948
  208   2HG   LYS  26          1HG       LYS  26  -6.690  11.010  11.010
  209   1HD   LYS  26          2HD       LYS  26  -7.257  13.370  13.370
  210   2HD   LYS  26          1HD       LYS  26  -8.101  13.608  13.608
  211   1HE   LYS  26          2HE       LYS  26  -9.022  11.162  11.162
  212   2HE   LYS  26          1HE       LYS  26  -8.670  11.643  11.643
  213   1HZ   LYS  26          1HZ       LYS  26 -10.034  13.506  13.506
  214   2HZ   LYS  26          3HZ       LYS  26 -10.927  12.314  12.314
  215   3HZ   LYS  26          2HZ       LYS  26 -10.055  13.471  13.471
  216    H    LEU  27           H        LEU  27  -2.715  11.614  11.614
  217    HA   LEU  27           HA       LEU  27  -0.748  13.331  13.331
  218   1HB   LEU  27          2HB       LEU  27  -0.773  10.401  10.401
  219   2HB   LEU  27          1HB       LEU  27   0.746  11.140  11.140
  220    HG   LEU  27           HG       LEU  27  -0.516  12.091  12.091
  221   1HD1  LEU  27          3HD1      LEU  27  -0.327   9.430   9.430
  222   2HD1  LEU  27          2HD1      LEU  27   1.354   9.772   9.772
  223   3HD1  LEU  27          1HD1      LEU  27   0.064  10.251  10.251
  224   1HD2  LEU  27          2HD2      LEU  27   1.830  12.604  12.604
  225   2HD2  LEU  27          1HD2      LEU  27   1.546  12.984  12.984
  226   3HD2  LEU  27          3HD2      LEU  27   2.352  11.480  11.480
  227    H    LYS  28           H        LYS  28   1.384  13.257  13.257
  228    HA   LYS  28           HA       LYS  28   0.670  13.181  13.181
  229   1HB   LYS  28          2HB       LYS  28   0.745  15.487  15.487
  230   2HB   LYS  28          1HB       LYS  28   2.273  15.501  15.501
  231   1HG   LYS  28          2HG       LYS  28   0.934  15.047  15.047
  232   2HG   LYS  28          1HG       LYS  28  -0.519  15.360  15.360
  233   1HD   LYS  28          2HD       LYS  28   1.790  17.304  17.304
  234   2HD   LYS  28          1HD       LYS  28   0.288  17.388  17.388
  235   1HE   LYS  28          2HE       LYS  28  -0.230  17.130  17.130
  236   2HE   LYS  28          1HE       LYS  28   0.720  18.580  18.580
  237   1HZ   LYS  28          3HZ       LYS  28  -1.669  17.756  17.756
  238   2HZ   LYS  28          2HZ       LYS  28  -1.750  18.841  18.841
  239   3HZ   LYS  28          1HZ       LYS  28  -0.844  19.236  19.236
  240    H    LYS  29           H        LYS  29   2.560  12.980  12.980
  241    HA   LYS  29           HA       LYS  29   4.606  11.286  11.286
  242   1HB   LYS  29          2HB       LYS  29   4.828  13.700  13.700
  243   2HB   LYS  29          1HB       LYS  29   5.804  12.233  12.233
  244   1HG   LYS  29          2HG       LYS  29   4.206  11.172  11.172
  245   2HG   LYS  29          1HG       LYS  29   2.988  11.567  11.567
  246   1HD   LYS  29          2HD       LYS  29   3.185  13.981  13.981
  247   2HD   LYS  29          1HD       LYS  29   3.715  13.031  13.031
  248   1HE   LYS  29          2HE       LYS  29   1.652  11.652  11.652
  249   2HE   LYS  29          1HE       LYS  29   1.109  12.664  12.664
  250   1HZ   LYS  29          1HZ       LYS  29   2.041  14.083  14.083
  251   2HZ   LYS  29          3HZ       LYS  29   0.580  13.242  13.242
  252   3HZ   LYS  29          2HZ       LYS  29   0.727  14.422  14.422
  253    H    SER  30           H        SER  30   4.535  14.809  14.809
  254    HA   SER  30           HA       SER  30   7.253  15.025  15.025
  255   1HB   SER  30          2HB       SER  30   5.892  16.884  16.884
  256   2HB   SER  30          1HB       SER  30   4.781  16.735  16.735
  257    HG   SER  30           HG       SER  30   7.143  18.020  18.020
  258    H    GLU  31           H        GLU  31   4.105  15.130  15.130
  259    HA   GLU  31           HA       GLU  31   5.225  14.991  14.991
  260   1HB   GLU  31          2HB       GLU  31   2.554  14.100  14.100
  261   2HB   GLU  31          1HB       GLU  31   2.886  14.275  14.275
  262   1HG   GLU  31          2HG       GLU  31   3.738  16.686  16.686
  263   2HG   GLU  31          1HG       GLU  31   2.523  16.369  16.369
  264    H    LEU  32           H        LEU  32   4.413  12.528  12.528
  265    HA   LEU  32           HA       LEU  32   4.634  10.227  10.227
  266   1HB   LEU  32          2HB       LEU  32   4.255  10.904  10.904
  267   2HB   LEU  32          1HB       LEU  32   5.487   9.646   9.646
  268    HG   LEU  32           HG       LEU  32   2.661   9.566   9.566
  269   1HD1  LEU  32          3HD1      LEU  32   3.203   8.954   8.954
  270   2HD1  LEU  32          2HD1      LEU  32   4.117   7.594   7.594
  271   3HD1  LEU  32          1HD1      LEU  32   2.382   7.711   7.711
  272   1HD2  LEU  32          1HD2      LEU  32   5.114   8.083   8.083
  273   2HD2  LEU  32          3HD2      LEU  32   3.669   8.463   8.463
  274   3HD2  LEU  32          2HD2      LEU  32   3.647   7.125   7.125
  275    H    LYS  33           H        LYS  33   6.973  12.042  12.042
  276    HA   LYS  33           HA       LYS  33   9.255  10.403  10.403
  277   1HB   LYS  33          2HB       LYS  33   8.727  12.705  12.705
  278   2HB   LYS  33          1HB       LYS  33   9.424  13.394  13.394
  279   1HG   LYS  33          2HG       LYS  33  10.846  11.192  11.192
  280   2HG   LYS  33          1HG       LYS  33  11.020  12.875  12.875
  281   1HD   LYS  33          2HD       LYS  33  11.953  13.511  13.511
  282   2HD   LYS  33          1HD       LYS  33  11.459  11.999  11.999
  283   1HE   LYS  33          2HE       LYS  33  13.803  11.751  11.751
  284   2HE   LYS  33          1HE       LYS  33  12.996  10.833  10.833
  285   1HZ   LYS  33          1HZ       LYS  33  13.469  13.707  13.707
  286   2HZ   LYS  33          3HZ       LYS  33  14.768  12.640  12.640
  287   3HZ   LYS  33          2HZ       LYS  33  13.364  12.472  12.472
  288    H    GLU  34           H        GLU  34   8.321  13.193  13.193
  289    HA   GLU  34           HA       GLU  34  10.237  12.881  12.881
  290   1HB   GLU  34          2HB       GLU  34   7.971  14.402  14.402
  291   2HB   GLU  34          1HB       GLU  34   7.503  13.490  13.490
  292   1HG   GLU  34          2HG       GLU  34   9.770  14.202  14.202
  293   2HG   GLU  34          1HG       GLU  34   9.857  15.359  15.359
  294    H    LEU  35           H        LEU  35   7.142  11.237  11.237
  295    HA   LEU  35           HA       LEU  35   6.941   9.817   9.817
  296   1HB   LEU  35          2HB       LEU  35   5.508  10.095  10.095
  297   2HB   LEU  35          1HB       LEU  35   6.157   8.472   8.472
  298    HG   LEU  35           HG       LEU  35   5.160   8.980   8.980
  299   1HD1  LEU  35          1HD1      LEU  35   3.569  10.017  10.017
  300   2HD1  LEU  35          3HD1      LEU  35   2.936   8.380   8.380
  301   3HD1  LEU  35          2HD1      LEU  35   2.985   9.464   9.464
  302   1HD2  LEU  35          3HD2      LEU  35   5.950   6.796   6.796
  303   2HD2  LEU  35          2HD2      LEU  35   4.295   6.732   6.732
  304   3HD2  LEU  35          1HD2      LEU  35   4.604   6.814   6.814
  305    H    ILE  36           H        ILE  36   8.458   8.761   8.761
  306    HA   ILE  36           HA       ILE  36   9.513   6.331   6.331
  307    HB   ILE  36           HB       ILE  36   9.750   7.809   7.809
  308   1HG1  ILE  36          2HG1      ILE  36   8.698   5.746   5.746
  309   2HG1  ILE  36          1HG1      ILE  36   8.772   5.039   5.039
  310   1HG2  ILE  36          1HG2      ILE  36  11.382   5.464   5.464
  311   2HG2  ILE  36          3HG2      ILE  36  11.071   5.731   5.731
  312   3HG2  ILE  36          2HG2      ILE  36  11.946   6.943   6.943
  313   1HD1  ILE  36          3HD1      ILE  36   7.389   7.670   7.670
  314   2HD1  ILE  36          2HD1      ILE  36   6.547   6.133   6.133
  315   3HD1  ILE  36          1HD1      ILE  36   7.212   6.591   6.591
  316    H    ASN  37           H        ASN  37  10.494   9.630   9.630
  317    HA   ASN  37           HA       ASN  37  13.367   9.068   9.068
  318   1HB   ASN  37          2HB       ASN  37  12.931  10.891  10.891
  319   2HB   ASN  37          1HB       ASN  37  11.598  11.451  11.451
  320   1HD2  ASN  37          2HD2      ASN  37  13.808  13.001  13.001
  321   2HD2  ASN  37          1HD2      ASN  37  12.344  12.147  12.147
  322    H    ASN  38           H        ASN  38  10.563  10.024  10.024
  323    HA   ASN  38           HA       ASN  38  12.145  10.761  10.761
  324   1HB   ASN  38          2HB       ASN  38   9.329  10.697  10.697
  325   2HB   ASN  38          1HB       ASN  38   9.560  10.498  10.498
  326   1HD2  ASN  38          2HD2      ASN  38   9.402  14.139  14.139
  327   2HD2  ASN  38          1HD2      ASN  38   8.343  12.814  12.814
  328    H    GLU  39           H        GLU  39  11.199   7.852   7.852
  329    HA   GLU  39           HA       GLU  39  11.250   6.392   6.392
  330   1HB   GLU  39          2HB       GLU  39   9.848   4.741   4.741
  331   2HB   GLU  39          1HB       GLU  39   9.113   6.341   6.341
  332   1HG   GLU  39          2HG       GLU  39  10.163   6.632   6.632
  333   2HG   GLU  39          1HG       GLU  39  10.720   4.966   4.966
  334    H    LEU  40           H        LEU  40  12.188   6.237   6.237
  335    HA   LEU  40           HA       LEU  40  14.291   4.239   4.239
  336   1HB   LEU  40          2HB       LEU  40  12.809   4.709   4.709
  337   2HB   LEU  40          1HB       LEU  40  14.021   3.454   3.454
  338    HG   LEU  40           HG       LEU  40  11.830   3.553   3.553
  339   1HD1  LEU  40          1HD1      LEU  40  11.387   2.731   2.731
  340   2HD1  LEU  40          3HD1      LEU  40  10.316   2.279   2.279
  341   3HD1  LEU  40          2HD1      LEU  40  10.515   3.976   3.976
  342   1HD2  LEU  40          2HD2      LEU  40  13.391   1.469   1.469
  343   2HD2  LEU  40          1HD2      LEU  40  13.387   1.783   1.783
  344   3HD2  LEU  40          3HD2      LEU  40  11.984   1.037   1.037
  345    H    SER  41           H        SER  41  15.457   6.438   6.438
  346    HA   SER  41           HA       SER  41  16.294   8.260   8.260
  347   1HB   SER  41          2HB       SER  41  16.718   8.556   8.556
  348   2HB   SER  41          1HB       SER  41  17.699   7.093   7.093
  349    HG   SER  41           HG       SER  41  19.220   8.559   8.559
  350    H    HIS  42           H        HIS  42  17.271   4.951   4.951
  351    HA   HIS  42           HA       HIS  42  19.736   4.927   4.927
  352   1HB   HIS  42          2HB       HIS  42  17.671   2.777   2.777
  353   2HB   HIS  42          1HB       HIS  42  19.316   2.467   2.467
  354    HD1  HIS  42           HD1      HIS  42  19.570   1.177   1.177
  355    HD2  HIS  42           HD2      HIS  42  19.151   5.320   5.320
  356    HE1  HIS  42           HE1      HIS  42  20.321   1.854   1.854
  357    H    PHE  43           H        PHE  43  16.420   3.899   3.899
  358    HA   PHE  43           HA       PHE  43  17.038   3.356   3.356
  359   1HB   PHE  43          2HB       PHE  43  14.811   3.333   3.333
  360   2HB   PHE  43          1HB       PHE  43  14.349   4.340   4.340
  361    HD1  PHE  43           HD1      PHE  43  15.526   3.282   3.282
  362    HD2  PHE  43           HD2      PHE  43  14.077   1.105   1.105
  363    HE1  PHE  43           HE1      PHE  43  15.212   1.270   1.270
  364    HE2  PHE  43           HE2      PHE  43  13.770  -0.902  -0.902
  365    HZ   PHE  43           HZ       PHE  43  14.338  -0.822  -0.822
  366    H    LEU  44           H        LEU  44  16.905   6.324   6.324
  367    HA   LEU  44           HA       LEU  44  15.868   8.165   8.165
  368   1HB   LEU  44          2HB       LEU  44  16.913   8.342   8.342
  369   2HB   LEU  44          1HB       LEU  44  18.399   8.691   8.691
  370    HG   LEU  44           HG       LEU  44  17.339  10.562  10.562
  371   1HD1  LEU  44          1HD1      LEU  44  14.922   9.237   9.237
  372   2HD1  LEU  44          3HD1      LEU  44  14.908  10.995  10.995
  373   3HD1  LEU  44          2HD1      LEU  44  15.121  10.247  10.247
  374   1HD2  LEU  44          2HD2      LEU  44  18.210  10.772  10.772
  375   2HD2  LEU  44          1HD2      LEU  44  17.121  12.042  12.042
  376   3HD2  LEU  44          3HD2      LEU  44  16.515  10.759  10.759
  377    H    GLU  45           H        GLU  45  19.149   6.871   6.871
  378    HA   GLU  45           HA       GLU  45  20.255   8.114   8.114
  379   1HB   GLU  45          2HB       GLU  45  20.920   6.231   6.231
  380   2HB   GLU  45          1HB       GLU  45  21.659   5.771   5.771
  381   1HG   GLU  45          2HG       GLU  45  21.795   8.630   8.630
  382   2HG   GLU  45          1HG       GLU  45  22.926   7.445   7.445
  383    H    GLU  46           H        GLU  46  18.586   5.103   5.103
  384    HA   GLU  46           HA       GLU  46  17.829   3.344   3.344
  385   1HB   GLU  46          2HB       GLU  46  16.736   5.658   5.658
  386   2HB   GLU  46          1HB       GLU  46  17.632   5.388   5.388
  387   1HG   GLU  46          2HG       GLU  46  16.386   3.537   3.537
  388   2HG   GLU  46          1HG       GLU  46  16.067   3.097   3.097
  389    H    ILE  47           H        ILE  47  20.824   4.335   4.335
  390    HA   ILE  47           HA       ILE  47  21.461   3.539   3.539
  391    HB   ILE  47           HB       ILE  47  22.530   5.366   5.366
  392   1HG1  ILE  47          2HG1      ILE  47  23.568   4.394   4.394
  393   2HG1  ILE  47          1HG1      ILE  47  24.758   4.927   4.927
  394   1HG2  ILE  47          2HG2      ILE  47  23.657   2.898   2.898
  395   2HG2  ILE  47          1HG2      ILE  47  24.296   4.529   4.529
  396   3HG2  ILE  47          3HG2      ILE  47  22.653   4.142   4.142
  397   1HD1  ILE  47          1HD1      ILE  47  24.367   2.352   2.352
  398   2HD1  ILE  47          3HD1      ILE  47  24.122   2.193   2.193
  399   3HD1  ILE  47          2HD1      ILE  47  25.638   2.846   2.846
  400    H    LYS  48           H        LYS  48  21.589   2.226   2.226
  401    HA   LYS  48           HA       LYS  48  23.281   0.011   0.011
  402   1HB   LYS  48          2HB       LYS  48  20.670  -0.627  -0.627
  403   2HB   LYS  48          1HB       LYS  48  22.287  -0.746  -0.746
  404   1HG   LYS  48          2HG       LYS  48  20.621   1.777   1.777
  405   2HG   LYS  48          1HG       LYS  48  20.996   0.906   0.906
  406   1HD   LYS  48          2HD       LYS  48  23.364   1.388   1.388
  407   2HD   LYS  48          1HD       LYS  48  23.081   2.154   2.154
  408   1HE   LYS  48          2HE       LYS  48  21.942   3.996   3.996
  409   2HE   LYS  48          1HE       LYS  48  21.712   3.136   3.136
  410   1HZ   LYS  48          3HZ       LYS  48  24.294   2.955   2.955
  411   2HZ   LYS  48          2HZ       LYS  48  24.162   4.316   4.316
  412   3HZ   LYS  48          1HZ       LYS  48  23.571   4.376   4.376
  413    H    GLU  49           H        GLU  49  20.237   0.639   0.639
  414    HA   GLU  49           HA       GLU  49  20.454  -1.919  -1.919
  415   1HB   GLU  49          2HB       GLU  49  17.895  -2.063  -2.063
  416   2HB   GLU  49          1HB       GLU  49  18.945  -2.490  -2.490
  417   1HG   GLU  49          2HG       GLU  49  18.393   0.373   0.373
  418   2HG   GLU  49          1HG       GLU  49  16.911  -0.576  -0.576
  419    H    GLN  50           H        GLN  50  21.016  -0.619  -0.619
  420    HA   GLN  50           HA       GLN  50  19.661   1.700   1.700
  421   1HB   GLN  50          2HB       GLN  50  21.328  -0.497  -0.497
  422   2HB   GLN  50          1HB       GLN  50  20.517   0.603   0.603
  423   1HG   GLN  50          2HG       GLN  50  21.697   2.127   2.127
  424   2HG   GLN  50          1HG       GLN  50  22.919   1.065   1.065
  425   1HE2  GLN  50          2HE2      GLN  50  21.228   3.979   3.979
  426   2HE2  GLN  50          1HE2      GLN  50  20.418   3.472   3.472
  427    H    GLU  51           H        GLU  51  19.230  -1.641  -1.641
  428    HA   GLU  51           HA       GLU  51  17.062  -1.352  -1.352
  429   1HB   GLU  51          2HB       GLU  51  18.225  -3.458  -3.458
  430   2HB   GLU  51          1HB       GLU  51  17.508  -3.473  -3.473
  431   1HG   GLU  51          2HG       GLU  51  15.233  -3.387  -3.387
  432   2HG   GLU  51          1HG       GLU  51  16.105  -3.770  -3.770
  433    H    VAL  52           H        VAL  52  17.026  -1.113  -1.113
  434    HA   VAL  52           HA       VAL  52  14.126  -1.208  -1.208
  435    HB   VAL  52           HB       VAL  52  16.420  -0.373  -0.373
  436   1HG1  VAL  52          2HG1      VAL  52  14.359   0.879   0.879
  437   2HG1  VAL  52          1HG1      VAL  52  13.477  -0.647  -0.647
  438   3HG1  VAL  52          3HG1      VAL  52  14.776  -0.308  -0.308
  439   1HG2  VAL  52          3HG2      VAL  52  16.143  -2.797  -2.797
  440   2HG2  VAL  52          2HG2      VAL  52  15.944  -2.483  -2.483
  441   3HG2  VAL  52          1HG2      VAL  52  14.528  -2.744  -2.744
  442    H    VAL  53           H        VAL  53  16.604   1.357   1.357
  443    HA   VAL  53           HA       VAL  53  15.022   3.628   3.628
  444    HB   VAL  53           HB       VAL  53  17.177   3.214   3.214
  445   1HG1  VAL  53          1HG1      VAL  53  15.605   5.487   5.487
  446   2HG1  VAL  53          3HG1      VAL  53  17.226   5.775   5.775
  447   3HG1  VAL  53          2HG1      VAL  53  16.997   5.420   5.420
  448   1HG2  VAL  53          1HG2      VAL  53  17.466   2.672   2.672
  449   2HG2  VAL  53          3HG2      VAL  53  18.766   3.351   3.351
  450   3HG2  VAL  53          2HG2      VAL  53  17.778   4.408   4.408
  451    H    ASP  54           H        ASP  54  15.315   1.538   1.538
  452    HA   ASP  54           HA       ASP  54  13.672   3.099   3.099
  453   1HB   ASP  54          2HB       ASP  54  15.117   1.531   1.531
  454   2HB   ASP  54          1HB       ASP  54  14.744   0.293   0.293
  455    H    LYS  55           H        LYS  55  13.109   0.371   0.371
  456    HA   LYS  55           HA       LYS  55  10.257   0.197   0.197
  457   1HB   LYS  55          2HB       LYS  55  12.235  -0.959  -0.959
  458   2HB   LYS  55          1HB       LYS  55  10.509  -1.187  -1.187
  459   1HG   LYS  55          2HG       LYS  55  10.954  -3.034  -3.034
  460   2HG   LYS  55          1HG       LYS  55  10.490  -1.859  -1.859
  461   1HD   LYS  55          2HD       LYS  55  12.906  -1.274  -1.274
  462   2HD   LYS  55          1HD       LYS  55  13.308  -2.589  -2.589
  463   1HE   LYS  55          2HE       LYS  55  13.050  -4.142  -4.142
  464   2HE   LYS  55          1HE       LYS  55  11.482  -3.462  -3.462
  465   1HZ   LYS  55          3HZ       LYS  55  14.076  -2.171  -2.171
  466   2HZ   LYS  55          2HZ       LYS  55  13.286  -3.227  -3.227
  467   3HZ   LYS  55          1HZ       LYS  55  12.546  -1.766  -1.766
  468    H    VAL  56           H        VAL  56  11.942   1.006   1.006
  469    HA   VAL  56           HA       VAL  56   9.900   2.074   2.074
  470    HB   VAL  56           HB       VAL  56  12.781   2.860   2.860
  471   1HG1  VAL  56          2HG1      VAL  56  10.697   4.410   4.410
  472   2HG1  VAL  56          1HG1      VAL  56  12.080   4.022   4.022
  473   3HG1  VAL  56          3HG1      VAL  56  12.318   4.896   4.896
  474   1HG2  VAL  56          3HG2      VAL  56  11.223   1.570   1.570
  475   2HG2  VAL  56          2HG2      VAL  56  12.300   0.746   0.746
  476   3HG2  VAL  56          1HG2      VAL  56  12.954   1.904   1.904
  477    H    MET  57           H        MET  57  11.501   3.625   3.625
  478    HA   MET  57           HA       MET  57  10.036   6.150   6.150
  479   1HB   MET  57          2HB       MET  57  11.900   4.984   4.984
  480   2HB   MET  57          1HB       MET  57  11.200   6.596   6.596
  481   1HG   MET  57          2HG       MET  57  12.466   5.967   5.967
  482   2HG   MET  57          1HG       MET  57  13.562   6.126   6.126
  483   1HE   MET  57          3HE       MET  57  11.927   7.552   7.552
  484   2HE   MET  57          2HE       MET  57  11.589   9.257   9.257
  485   3HE   MET  57          1HE       MET  57  10.474   8.034   8.034
  486    H    GLU  58           H        GLU  58   9.786   3.225   3.225
  487    HA   GLU  58           HA       GLU  58   7.932   4.145   4.145
  488   1HB   GLU  58          2HB       GLU  58   7.813   1.895   1.895
  489   2HB   GLU  58          1HB       GLU  58   9.286   1.892   1.892
  490   1HG   GLU  58          2HG       GLU  58   8.100   0.115   0.115
  491   2HG   GLU  58          1HG       GLU  58   7.642   1.445   1.445
  492    H    THR  59           H        THR  59   7.417   3.036   3.036
  493    HA   THR  59           HA       THR  59   4.485   3.196   3.196
  494    HB   THR  59           HB       THR  59   6.376   2.568   2.568
  495    HG1  THR  59           HG1      THR  59   6.325   0.930   0.930
  496   1HG2  THR  59          2HG2      THR  59   3.521   3.177   3.177
  497   2HG2  THR  59          1HG2      THR  59   3.857   1.578   1.578
  498   3HG2  THR  59          3HG2      THR  59   4.613   3.004   3.004
  499    H    LEU  60           H        LEU  60   7.141   4.912   4.912
  500    HA   LEU  60           HA       LEU  60   5.747   6.773   6.773
  501   1HB   LEU  60          2HB       LEU  60   8.220   6.430   6.430
  502   2HB   LEU  60          1HB       LEU  60   8.174   7.244   7.244
  503    HG   LEU  60           HG       LEU  60   7.627   9.325   9.325
  504   1HD1  LEU  60          1HD1      LEU  60   6.686   7.657   7.657
  505   2HD1  LEU  60          3HD1      LEU  60   7.100   9.353   9.353
  506   3HD1  LEU  60          2HD1      LEU  60   5.822   8.914   8.914
  507   1HD2  LEU  60          3HD2      LEU  60   9.723   7.737   7.737
  508   2HD2  LEU  60          2HD2      LEU  60   9.773   9.408   9.408
  509   3HD2  LEU  60          1HD2      LEU  60   9.144   9.040   9.040
  510    H    ASP  61           H        ASP  61   6.146   6.663   6.663
  511    HA   ASP  61           HA       ASP  61   4.910   9.328   9.328
  512   1HB   ASP  61          2HB       ASP  61   6.745   7.741   7.741
  513   2HB   ASP  61          1HB       ASP  61   5.285   7.613   7.613
  514    H    SER  62           H        SER  62   4.048   5.929   5.929
  515    HA   SER  62           HA       SER  62   1.465   6.465   6.465
  516   1HB   SER  62          2HB       SER  62   1.746   4.300   4.300
  517   2HB   SER  62          1HB       SER  62   3.277   4.314   4.314
  518    HG   SER  62           HG       SER  62   1.618   2.725   2.725
  519    H    ASP  63           H        ASP  63   2.749   6.328   6.328
  520    HA   ASP  63           HA       ASP  63   0.802   5.314   5.314
  521   1HB   ASP  63          2HB       ASP  63   2.464   7.831   7.831
  522   2HB   ASP  63          1HB       ASP  63   1.417   7.427   7.427
  523    H    GLY  64           H        GLY  64  -1.334   5.507   5.507
  524   1HA   GLY  64          2HA       GLY  64  -3.323   6.623   6.623
  525   2HA   GLY  64          1HA       GLY  64  -3.018   7.545   7.545
  526    H    ASP  65           H        ASP  65  -0.777   7.525   7.525
  527    HA   ASP  65           HA       ASP  65   0.213   9.771   9.771
  528   1HB   ASP  65          2HB       ASP  65  -0.069   8.194   8.194
  529   2HB   ASP  65          1HB       ASP  65  -1.805   8.495   8.495
  530    H    GLY  66           H        GLY  66  -0.475  11.612  11.612
  531   1HA   GLY  66          2HA       GLY  66  -1.566  13.792  13.792
  532   2HA   GLY  66          1HA       GLY  66  -3.009  12.864  12.864
  533    H    GLU  67           H        GLU  67  -2.937  11.050  11.050
  534    HA   GLU  67           HA       GLU  67  -3.007  12.741  12.741
  535   1HB   GLU  67          2HB       GLU  67  -5.174  13.068  13.068
  536   2HB   GLU  67          1HB       GLU  67  -5.412  11.322  11.322
  537   1HG   GLU  67          2HG       GLU  67  -6.510  11.618  11.618
  538   2HG   GLU  67          1HG       GLU  67  -4.889  11.679  11.679
  539    H    CYS  68           H        CYS  68  -1.722  11.417  11.417
  540    HA   CYS  68           HA       CYS  68  -1.965   8.474   8.474
  541   1HB   CYS  68          2HB       CYS  68  -0.254  10.324  10.324
  542   2HB   CYS  68          1HB       CYS  68  -0.027   8.581   8.581
  543    HG   CYS  68           HG       CYS  68   0.813  10.678  10.678
  544    H    ASP  69           H        ASP  69  -3.874   7.834   7.834
  545    HA   ASP  69           HA       ASP  69  -4.701   9.090   9.090
  546   1HB   ASP  69          2HB       ASP  69  -5.762   6.778   6.778
  547   2HB   ASP  69          1HB       ASP  69  -6.593   7.515   7.515
  548    H    PHE  70           H        PHE  70  -5.529   7.491   7.491
  549    HA   PHE  70           HA       PHE  70  -3.761   6.473   6.473
  550   1HB   PHE  70          2HB       PHE  70  -6.399   5.484   5.484
  551   2HB   PHE  70          1HB       PHE  70  -5.523   4.472   4.472
  552    HD1  PHE  70           HD1      PHE  70  -6.334   8.120   8.120
  553    HD2  PHE  70           HD2      PHE  70  -6.078   4.740   4.740
  554    HE1  PHE  70           HE1      PHE  70  -7.207   9.492   9.492
  555    HE2  PHE  70           HE2      PHE  70  -6.998   6.118   6.118
  556    HZ   PHE  70           HZ       PHE  70  -7.513   8.508   8.508
  557    H    GLN  71           H        GLN  71  -5.318   3.994   3.994
  558    HA   GLN  71           HA       GLN  71  -3.419   1.977   1.977
  559   1HB   GLN  71          2HB       GLN  71  -4.518   1.231   1.231
  560   2HB   GLN  71          1HB       GLN  71  -5.589   1.557   1.557
  561   1HG   GLN  71          2HG       GLN  71  -6.454   3.464   3.464
  562   2HG   GLN  71          1HG       GLN  71  -4.949   3.861   3.861
  563   1HE2  GLN  71          2HE2      GLN  71  -6.359   2.678   2.678
  564   2HE2  GLN  71          1HE2      GLN  71  -5.548   3.930   3.930
  565    H    GLU  72           H        GLU  72  -3.191   4.843   4.843
  566    HA   GLU  72           HA       GLU  72  -1.235   3.755   3.755
  567   1HB   GLU  72          2HB       GLU  72  -1.800   6.654   6.654
  568   2HB   GLU  72          1HB       GLU  72  -1.341   5.940   5.940
  569   1HG   GLU  72          2HG       GLU  72  -3.625   4.538   4.538
  570   2HG   GLU  72          1HG       GLU  72  -3.998   6.167   6.167
  571    H    PHE  73           H        PHE  73  -1.101   5.804   5.804
  572    HA   PHE  73           HA       PHE  73   1.760   6.186   6.186
  573   1HB   PHE  73          2HB       PHE  73   1.095   7.687   7.687
  574   2HB   PHE  73          1HB       PHE  73  -0.486   6.923   6.923
  575    HD1  PHE  73           HD2      PHE  73   3.003   6.006   6.006
  576    HD2  PHE  73           HD1      PHE  73  -1.134   6.394   6.394
  577    HE1  PHE  73           HE2      PHE  73   3.508   5.155   5.155
  578    HE2  PHE  73           HE1      PHE  73  -0.628   5.552   5.552
  579    HZ   PHE  73           HZ       PHE  73   1.695   4.930   4.930
  580    H    MET  74           H        MET  74  -0.368   3.770   3.770
  581    HA   MET  74           HA       MET  74   1.762   2.340   2.340
  582   1HB   MET  74          2HB       MET  74  -0.974   1.328   1.328
  583   2HB   MET  74          1HB       MET  74  -0.030   0.878   0.878
  584   1HG   MET  74          2HG       MET  74  -0.481   3.741   3.741
  585   2HG   MET  74          1HG       MET  74  -2.011   2.872   2.872
  586   1HE   MET  74          1HE       MET  74  -2.748   1.228   1.228
  587   2HE   MET  74          3HE       MET  74  -2.118   0.435   0.435
  588   3HE   MET  74          2HE       MET  74  -3.106   1.886   1.886
  589    H    ALA  75           H        ALA  75   0.313   2.340   2.340
  590    HA   ALA  75           HA       ALA  75   1.206  -0.296  -0.296
  591   1HB   ALA  75          1HB       ALA  75   0.299   2.241   2.241
  592   2HB   ALA  75          3HB       ALA  75   0.644   0.751   0.751
  593   3HB   ALA  75          2HB       ALA  75  -0.658   0.790   0.790
  594    H    PHE  76           H        PHE  76   2.233   2.948   2.948
  595    HA   PHE  76           HA       PHE  76   4.595   2.145   2.145
  596   1HB   PHE  76          2HB       PHE  76   3.598   4.302   4.302
  597   2HB   PHE  76          1HB       PHE  76   3.683   4.701   4.701
  598    HD1  PHE  76           HD1      PHE  76   6.067   3.464   3.464
  599    HD2  PHE  76           HD2      PHE  76   5.320   6.251   6.251
  600    HE1  PHE  76           HE1      PHE  76   8.305   4.469   4.469
  601    HE2  PHE  76           HE2      PHE  76   7.562   7.252   7.252
  602    HZ   PHE  76           HZ       PHE  76   9.054   6.361   6.361
  603    H    VAL  77           H        VAL  77   4.162   3.409   3.409
  604    HA   VAL  77           HA       VAL  77   6.855   3.317   3.317
  605    HB   VAL  77           HB       VAL  77   4.682   4.009   4.009
  606   1HG1  VAL  77          1HG1      VAL  77   3.589   1.805   1.805
  607   2HG1  VAL  77          3HG1      VAL  77   4.833   1.095   1.095
  608   3HG1  VAL  77          2HG1      VAL  77   3.726   2.300   2.300
  609   1HG2  VAL  77          1HG2      VAL  77   6.959   2.514   2.514
  610   2HG2  VAL  77          3HG2      VAL  77   6.787   4.258   4.258
  611   3HG2  VAL  77          2HG2      VAL  77   5.745   3.398   3.398
  612    H    ALA  78           H        ALA  78   4.449   0.719   0.719
  613    HA   ALA  78           HA       ALA  78   6.183  -1.389  -1.389
  614   1HB   ALA  78          2HB       ALA  78   3.555  -1.146  -1.146
  615   2HB   ALA  78          1HB       ALA  78   3.994  -1.892  -1.892
  616   3HB   ALA  78          3HB       ALA  78   4.341  -2.723  -2.723
  617    H    MET  79           H        MET  79   5.289  -0.289  -0.289
  618    HA   MET  79           HA       MET  79   6.759  -2.179  -2.179
  619   1HB   MET  79          2HB       MET  79   5.211   0.023   0.023
  620   2HB   MET  79          1HB       MET  79   6.804   0.644   0.644
  621   1HG   MET  79          2HG       MET  79   5.410  -1.790  -1.790
  622   2HG   MET  79          1HG       MET  79   5.866  -0.317  -0.317
  623   1HE   MET  79          1HE       MET  79   7.780   0.493   0.493
  624   2HE   MET  79          3HE       MET  79   9.168   0.216   0.216
  625   3HE   MET  79          2HE       MET  79   9.154  -0.453  -0.453
  626    H    ILE  80           H        ILE  80   7.798   0.776   0.776
  627    HA   ILE  80           HA       ILE  80  10.525   0.735   0.735
  628    HB   ILE  80           HB       ILE  80   9.415   1.920   1.920
  629   1HG1  ILE  80          2HG1      ILE  80   8.173   2.443   2.443
  630   2HG1  ILE  80          1HG1      ILE  80   8.711   3.810   3.810
  631   1HG2  ILE  80          2HG2      ILE  80  11.903   1.889   1.889
  632   2HG2  ILE  80          1HG2      ILE  80  11.715   2.814   2.814
  633   3HG2  ILE  80          3HG2      ILE  80  11.233   3.520   3.520
  634   1HD1  ILE  80          1HD1      ILE  80  10.821   3.018   3.018
  635   2HD1  ILE  80          3HD1      ILE  80   9.337   3.262   3.262
  636   3HD1  ILE  80          2HD1      ILE  80   9.977   4.562   4.562
  637    H    THR  81           H        THR  81   9.327   0.218   0.218
  638    HA   THR  81           HA       THR  81  11.549  -0.957  -0.957
  639    HB   THR  81           HB       THR  81   8.834  -2.112  -2.112
  640    HG1  THR  81           HG1      THR  81   8.116  -0.170  -0.170
  641   1HG2  THR  81          2HG2      THR  81  11.028  -2.301  -2.301
  642   2HG2  THR  81          1HG2      THR  81  10.602  -0.675  -0.675
  643   3HG2  THR  81          3HG2      THR  81   9.488  -2.018  -2.018
  644    H    THR  82           H        THR  82   9.278  -2.496  -2.496
  645    HA   THR  82           HA       THR  82  10.117  -5.222  -5.222
  646    HB   THR  82           HB       THR  82   9.229  -5.273  -5.273
  647    HG1  THR  82           HG1      THR  82   9.243  -3.066  -3.066
  648   1HG2  THR  82          3HG2      THR  82   8.073  -6.164  -6.164
  649   2HG2  THR  82          2HG2      THR  82   7.353  -4.549  -4.549
  650   3HG2  THR  82          1HG2      THR  82   6.980  -5.531  -5.531
  651    H    ALA  83           H        ALA  83  11.494  -2.584  -2.584
  652    HA   ALA  83           HA       ALA  83  13.247  -4.382  -4.382
  653   1HB   ALA  83          2HB       ALA  83  12.713  -1.422  -1.422
  654   2HB   ALA  83          1HB       ALA  83  13.985  -2.106  -2.106
  655   3HB   ALA  83          3HB       ALA  83  12.304  -2.560  -2.560
  656    H    CYS  84           H        CYS  84  13.556  -3.278  -3.278
  657    HA   CYS  84           HA       CYS  84  16.383  -2.437  -2.437
  658   1HB   CYS  84          2HB       CYS  84  14.243  -1.991  -1.991
  659   2HB   CYS  84          1HB       CYS  84  15.490  -2.837  -2.837
  660    HG   CYS  84           HG       CYS  84  16.983  -0.864  -0.864
  661    H    HIS  85           H        HIS  85  15.157  -4.599  -4.599
  662    HA   HIS  85           HA       HIS  85  16.603  -6.943  -6.943
  663   1HB   HIS  85          2HB       HIS  85  17.869  -4.882  -4.882
  664   2HB   HIS  85          1HB       HIS  85  18.033  -6.525  -6.525
  665    HD1  HIS  85           HD1      HIS  85  20.034  -4.416  -4.416
  666    HD2  HIS  85           HD2      HIS  85  18.558  -8.200  -8.200
  667    HE1  HIS  85           HE1      HIS  85  21.573  -5.367  -5.367
  668    H    GLU  86           H        GLU  86  17.038  -8.222  -8.222
  669    HA   GLU  86           HA       GLU  86  15.717  -9.553  -9.553
  670   1HB   GLU  86          2HB       GLU  86  14.798  -6.718  -6.718
  671   2HB   GLU  86          1HB       GLU  86  14.706  -8.091  -8.091
  672   1HG   GLU  86          2HG       GLU  86  17.207  -6.778  -6.778
  673   2HG   GLU  86          1HG       GLU  86  16.680  -6.847  -6.847
  674    H    PHE  87           H        PHE  87  12.991  -8.903  -8.903
  675    HA   PHE  87           HA       PHE  87  11.517  -9.901  -9.901
  676   1HB   PHE  87          2HB       PHE  87  10.880  -9.909  -9.909
  677   2HB   PHE  87          1HB       PHE  87  10.257  -8.295  -8.295
  678    HD1  PHE  87           HD1      PHE  87   9.875  -9.363  -9.363
  679    HD2  PHE  87           HD2      PHE  87   8.284 -10.372 -10.372
  680    HE1  PHE  87           HE1      PHE  87   7.976 -10.402 -10.402
  681    HE2  PHE  87           HE2      PHE  87   6.454 -11.559 -11.559
  682    HZ   PHE  87           HZ       PHE  87   6.262 -11.567 -11.567
  683    H    PHE  88           H        PHE  88  11.059  -6.789  -6.789
  684    HA   PHE  88           HA       PHE  88  10.164  -5.550  -5.550
  685   1HB   PHE  88          2HB       PHE  88  10.208  -5.047  -5.047
  686   2HB   PHE  88          1HB       PHE  88  10.132  -3.652  -3.652
  687    HD1  PHE  88           HD1      PHE  88   8.480  -6.942  -6.942
  688    HD2  PHE  88           HD2      PHE  88   8.090  -2.936  -2.936
  689    HE1  PHE  88           HE1      PHE  88   6.051  -7.302  -7.302
  690    HE2  PHE  88           HE2      PHE  88   5.665  -3.293  -3.293
  691    HZ   PHE  88           HZ       PHE  88   4.643  -5.477  -5.477
  692    H    GLU  89           H        GLU  89  11.925  -3.620  -3.620
  693    HA   GLU  89           HA       GLU  89  14.321  -3.604  -3.604
  694   1HB   GLU  89          2HB       GLU  89  13.131  -1.622  -1.622
  695   2HB   GLU  89          1HB       GLU  89  12.653  -1.331  -1.331
  696   1HG   GLU  89          2HG       GLU  89  15.576  -1.422  -1.422
  697   2HG   GLU  89          1HG       GLU  89  14.693  -0.020  -0.020
  698    H    HIS  90           H        HIS  90  15.802  -4.599  -4.599
  699    HA   HIS  90           HA       HIS  90  17.015  -5.063  -5.063
  700   1HB   HIS  90          2HB       HIS  90  16.880  -2.184  -2.184
  701   2HB   HIS  90          1HB       HIS  90  17.344  -2.535  -2.535
  702    HD1  HIS  90           HD1      HIS  90  19.490  -4.065  -4.065
  703    HD2  HIS  90           HD2      HIS  90  18.836  -2.801  -2.801
  704    HE1  HIS  90           HE1      HIS  90  21.642  -4.498  -4.498
  705    H    GLU  91           H        GLU  91  14.521  -5.798  -5.798
  706    HA   GLU  91           HA       GLU  91  12.923  -4.448  -4.448
  707   1HB   GLU  91          2HB       GLU  91  12.177  -6.636  -6.636
  708   2HB   GLU  91          1HB       GLU  91  12.713  -6.778  -6.778
  709   1HG   GLU  91          2HG       GLU  91  14.135  -8.400  -8.400
  710   2HG   GLU  91          1HG       GLU  91  15.006  -7.202  -7.202
  711   1H    MET   0          2H        MET   0   7.699  10.121  10.121
  712   2H    MET   0          1H        MET   0   7.607  11.743  11.743
  713   3H    MET   0          3H        MET   0   6.915  10.521  10.521
  714    HA   MET   0           HA       MET   0   8.935  11.075  11.075
  715   1HB   MET   0          2HB       MET   0   9.830  12.369  12.369
  716   2HB   MET   0          1HB       MET   0   9.993  10.916  10.916
  717   1HG   MET   0          2HG       MET   0  11.393  10.251  10.251
  718   2HG   MET   0          1HG       MET   0  11.773  11.961  11.961
  719   1HE   MET   0          2HE       MET   0  14.105  10.258  10.258
  720   2HE   MET   0          1HE       MET   0  14.557   9.355   9.355
  721   3HE   MET   0          3HE       MET   0  13.218   8.797   8.797
  722    H    SER   1           H        SER   1   9.982   9.003   9.003
  723    HA   SER   1           HA       SER   1  10.594   6.826   6.826
  724   1HB   SER   1          2HB       SER   1  11.244   7.686   7.686
  725   2HB   SER   1          1HB       SER   1  11.091   5.940   5.940
  726    HG   SER   1           HG       SER   1  13.217   6.810   6.810
  727    H    GLU   2           H        GLU   2   7.933   7.756   7.756
  728    HA   GLU   2           HA       GLU   2   6.822   5.480   5.480
  729   1HB   GLU   2          2HB       GLU   2   5.545   7.624   7.624
  730   2HB   GLU   2          1HB       GLU   2   4.633   6.519   6.519
  731   1HG   GLU   2          2HG       GLU   2   6.510   7.431   7.431
  732   2HG   GLU   2          1HG       GLU   2   6.283   8.856   8.856
  733    H    LEU   3           H        LEU   3   7.148   6.220   6.220
  734    HA   LEU   3           HA       LEU   3   5.478   3.996   3.996
  735   1HB   LEU   3          2HB       LEU   3   7.559   5.648   5.648
  736   2HB   LEU   3          1HB       LEU   3   6.257   4.719   4.719
  737    HG   LEU   3           HG       LEU   3   4.950   6.330   6.330
  738   1HD1  LEU   3          1HD1      LEU   3   7.464   7.499   7.499
  739   2HD1  LEU   3          3HD1      LEU   3   6.340   8.407   8.407
  740   3HD1  LEU   3          2HD1      LEU   3   6.058   8.277   8.277
  741   1HD2  LEU   3          1HD2      LEU   3   5.157   5.980   5.980
  742   2HD2  LEU   3          3HD2      LEU   3   3.746   6.400   6.400
  743   3HD2  LEU   3          2HD2      LEU   3   4.839   7.665   7.665
  744    H    GLU   4           H        GLU   4   8.985   4.617   4.617
  745    HA   GLU   4           HA       GLU   4   9.821   2.115   2.115
  746   1HB   GLU   4          2HB       GLU   4  11.304   4.031   4.031
  747   2HB   GLU   4          1HB       GLU   4  11.093   4.006   4.006
  748   1HG   GLU   4          2HG       GLU   4  11.913   1.395   1.395
  749   2HG   GLU   4          1HG       GLU   4  12.996   2.551   2.551
  750    H    LYS   5           H        LYS   5   9.278   3.155   3.155
  751    HA   LYS   5           HA       LYS   5   9.954   0.639   0.639
  752   1HB   LYS   5          2HB       LYS   5   8.035   2.775   2.775
  753   2HB   LYS   5          1HB       LYS   5   9.084   1.745   1.745
  754   1HG   LYS   5          2HG       LYS   5  10.641   3.267   3.267
  755   2HG   LYS   5          1HG       LYS   5   9.682   4.333   4.333
  756   1HD   LYS   5          2HD       LYS   5  10.674   3.516   3.516
  757   2HD   LYS   5          1HD       LYS   5  11.294   2.074   2.074
  758   1HE   LYS   5          2HE       LYS   5  12.892   3.427   3.427
  759   2HE   LYS   5          1HE       LYS   5  12.237   4.910   4.910
  760   1HZ   LYS   5          1HZ       LYS   5  13.042   2.717   2.717
  761   2HZ   LYS   5          3HZ       LYS   5  14.258   3.690   3.690
  762   3HZ   LYS   5          2HZ       LYS   5  13.042   4.392   4.392
  763    H    ALA   6           H        ALA   6   6.973   2.057   2.057
  764    HA   ALA   6           HA       ALA   6   5.246  -0.115  -0.115
  765   1HB   ALA   6          2HB       ALA   6   5.171   2.323   2.323
  766   2HB   ALA   6          1HB       ALA   6   4.095   1.042   1.042
  767   3HB   ALA   6          3HB       ALA   6   3.938   1.678   1.678
  768    H    VAL   7           H        VAL   7   7.109   0.728   0.728
  769    HA   VAL   7           HA       VAL   7   6.398  -1.293  -1.293
  770    HB   VAL   7           HB       VAL   7   8.559   0.579   0.579
  771   1HG1  VAL   7          3HG1      VAL   7   9.277  -2.094  -2.094
  772   2HG1  VAL   7          2HG1      VAL   7  10.211  -0.635  -0.635
  773   3HG1  VAL   7          1HG1      VAL   7  10.071  -1.232  -1.232
  774   1HG2  VAL   7          3HG2      VAL   7   6.735   0.033   0.033
  775   2HG2  VAL   7          2HG2      VAL   7   7.988   1.275   1.275
  776   3HG2  VAL   7          1HG2      VAL   7   8.309  -0.313  -0.313
  777    H    VAL   8           H        VAL   8   9.014  -1.372  -1.372
  778    HA   VAL   8           HA       VAL   8   9.796  -4.058  -4.058
  779    HB   VAL   8           HB       VAL   8   9.503  -2.067  -2.067
  780   1HG1  VAL   8          2HG1      VAL   8   9.052  -4.286  -4.286
  781   2HG1  VAL   8          1HG1      VAL   8  10.544  -4.904  -4.904
  782   3HG1  VAL   8          3HG1      VAL   8  10.608  -3.648  -3.648
  783   1HG2  VAL   8          1HG2      VAL   8  11.737  -3.340  -3.340
  784   2HG2  VAL   8          3HG2      VAL   8  11.397  -1.628  -1.628
  785   3HG2  VAL   8          2HG2      VAL   8  12.061  -2.596  -2.596
  786    H    ALA   9           H        ALA   9   7.063  -2.605  -2.605
  787    HA   ALA   9           HA       ALA   9   5.952  -5.012  -5.012
  788   1HB   ALA   9          3HB       ALA   9   5.411  -2.228  -2.228
  789   2HB   ALA   9          2HB       ALA   9   3.963  -3.055  -3.055
  790   3HB   ALA   9          1HB       ALA   9   4.603  -3.412  -3.412
  791    H    LEU  10           H        LEU  10   5.653  -3.449  -3.449
  792    HA   LEU  10           HA       LEU  10   3.449  -5.070  -5.070
  793   1HB   LEU  10          2HB       LEU  10   5.612  -3.523  -3.523
  794   2HB   LEU  10          1HB       LEU  10   4.075  -4.048  -4.048
  795    HG   LEU  10           HG       LEU  10   4.289  -2.247  -2.247
  796   1HD1  LEU  10          1HD1      LEU  10   4.741  -1.619  -1.619
  797   2HD1  LEU  10          3HD1      LEU  10   3.232  -0.866  -0.866
  798   3HD1  LEU  10          2HD1      LEU  10   4.726  -0.529  -0.529
  799   1HD2  LEU  10          3HD2      LEU  10   2.089  -3.455  -3.455
  800   2HD2  LEU  10          2HD2      LEU  10   2.144  -3.031  -3.031
  801   3HD2  LEU  10          1HD2      LEU  10   1.866  -1.779  -1.779
  802    H    ILE  11           H        ILE  11   6.899  -5.519  -5.519
  803    HA   ILE  11           HA       ILE  11   6.997  -7.748  -7.748
  804    HB   ILE  11           HB       ILE  11   9.231  -7.565  -7.565
  805   1HG1  ILE  11          2HG1      ILE  11  10.321  -7.106  -7.106
  806   2HG1  ILE  11          1HG1      ILE  11   8.717  -7.410  -7.410
  807   1HG2  ILE  11          1HG2      ILE  11   8.430  -5.134  -5.134
  808   2HG2  ILE  11          3HG2      ILE  11   8.661  -5.100  -5.100
  809   3HG2  ILE  11          2HG2      ILE  11  10.035  -5.365  -5.365
  810   1HD1  ILE  11          3HD1      ILE  11   9.176  -9.469  -9.469
  811   2HD1  ILE  11          2HD1      ILE  11  10.675  -9.311  -9.311
  812   3HD1  ILE  11          1HD1      ILE  11   9.156  -9.618  -9.618
  813    H    ASP  12           H        ASP  12   6.862  -7.313  -7.313
  814    HA   ASP  12           HA       ASP  12   7.006 -10.088 -10.088
  815   1HB   ASP  12          2HB       ASP  12   6.604  -7.546  -7.546
  816   2HB   ASP  12          1HB       ASP  12   5.200  -8.520  -8.520
  817    H    VAL  13           H        VAL  13   4.500  -7.944  -7.944
  818    HA   VAL  13           HA       VAL  13   2.241  -9.682  -9.682
  819    HB   VAL  13           HB       VAL  13   2.787  -7.428  -7.428
  820   1HG1  VAL  13          2HG1      VAL  13   0.787  -9.098  -9.098
  821   2HG1  VAL  13          1HG1      VAL  13   0.071  -8.238  -8.238
  822   3HG1  VAL  13          3HG1      VAL  13   0.496  -7.362  -7.362
  823   1HG2  VAL  13          1HG2      VAL  13   2.755  -7.307  -7.307
  824   2HG2  VAL  13          3HG2      VAL  13   2.300  -5.968  -5.968
  825   3HG2  VAL  13          2HG2      VAL  13   1.057  -7.019  -7.019
  826    H    PHE  14           H        PHE  14   3.846  -8.824  -8.824
  827    HA   PHE  14           HA       PHE  14   2.667 -10.896 -10.896
  828   1HB   PHE  14          2HB       PHE  14   5.253  -9.351  -9.351
  829   2HB   PHE  14          1HB       PHE  14   5.123 -10.879 -10.879
  830    HD1  PHE  14           HD2      PHE  14   2.021  -9.104  -9.104
  831    HD2  PHE  14           HD1      PHE  14   5.123  -9.809  -9.809
  832    HE1  PHE  14           HE2      PHE  14   0.553  -8.299  -8.299
  833    HE2  PHE  14           HE1      PHE  14   3.619  -9.021  -9.021
  834    HZ   PHE  14           HZ       PHE  14   1.332  -8.246  -8.246
  835    H    HIS  15           H        HIS  15   5.596 -10.946 -10.946
  836    HA   HIS  15           HA       HIS  15   6.713 -13.423 -13.423
  837   1HB   HIS  15          2HB       HIS  15   7.417 -11.794 -11.794
  838   2HB   HIS  15          1HB       HIS  15   5.991 -12.202 -12.202
  839    HD1  HIS  15           HD1      HIS  15   9.002 -14.002 -14.002
  840    HD2  HIS  15           HD2      HIS  15   6.435 -14.277 -14.277
  841    HE1  HIS  15           HE1      HIS  15   9.862 -15.910 -15.910
  842    H    GLN  16           H        GLN  16   3.976 -12.822 -12.822
  843    HA   GLN  16           HA       GLN  16   3.287 -15.668 -15.668
  844   1HB   GLN  16          2HB       GLN  16   1.874 -13.089 -13.089
  845   2HB   GLN  16          1HB       GLN  16   1.368 -14.720 -14.720
  846   1HG   GLN  16          2HG       GLN  16   4.193 -14.281 -14.281
  847   2HG   GLN  16          1HG       GLN  16   3.178 -13.098 -13.098
  848   1HE2  GLN  16          2HE2      GLN  16   1.389 -15.686 -15.686
  849   2HE2  GLN  16          1HE2      GLN  16   1.075 -14.244 -14.244
  850    H    TYR  17           H        TYR  17   1.393 -12.842 -12.842
  851    HA   TYR  17           HA       TYR  17  -0.634 -13.921 -13.921
  852   1HB   TYR  17          2HB       TYR  17   1.114 -11.488 -11.488
  853   2HB   TYR  17          1HB       TYR  17  -0.202 -11.761 -11.761
  854    HD1  TYR  17           HD1      TYR  17  -2.533 -12.040 -12.040
  855    HD2  TYR  17           HD2      TYR  17   0.677 -10.842 -10.842
  856    HE1  TYR  17           HE1      TYR  17  -4.178 -11.229 -11.229
  857    HE2  TYR  17           HE2      TYR  17  -0.967  -9.988  -9.988
  858    HH   TYR  17           HH       TYR  17  -3.134  -9.932  -9.932
  859    H    SER  18           H        SER  18   2.205 -12.666 -12.666
  860    HA   SER  18           HA       SER  18   1.647 -14.451 -14.451
  861   1HB   SER  18          2HB       SER  18   3.840 -12.441 -12.441
  862   2HB   SER  18          1HB       SER  18   3.548 -13.178 -13.178
  863    HG   SER  18           HG       SER  18   2.230 -11.554 -11.554
  864    H    GLY  19           H        GLY  19   2.997 -15.210 -15.210
  865   1HA   GLY  19          2HA       GLY  19   4.816 -17.178 -17.178
  866   2HA   GLY  19          1HA       GLY  19   5.477 -16.161 -16.161
  867    H    ARG  20           H        ARG  20   2.140 -17.228 -17.228
  868    HA   ARG  20           HA       ARG  20   2.942 -19.115 -19.115
  869   1HB   ARG  20          2HB       ARG  20   0.911 -18.426 -18.426
  870   2HB   ARG  20          1HB       ARG  20   1.762 -16.960 -16.960
  871   1HG   ARG  20          2HG       ARG  20   0.328 -16.955 -16.955
  872   2HG   ARG  20          1HG       ARG  20  -0.609 -18.261 -18.261
  873   1HD   ARG  20          2HD       ARG  20  -0.140 -15.786 -15.786
  874   2HD   ARG  20          1HD       ARG  20  -1.369 -15.744 -15.744
  875    HE   ARG  20           HE       ARG  20  -1.617 -17.194 -17.194
  876   1HH1  ARG  20          1HH2      ARG  20  -2.812 -16.730 -16.730
  877   2HH1  ARG  20          2HH2      ARG  20  -3.856 -18.112 -18.112
  878   1HH2  ARG  20          2HH1      ARG  20  -2.692 -19.276 -19.276
  879   2HH2  ARG  20          1HH1      ARG  20  -3.788 -19.554 -19.554
  880    H    GLU  21           H        GLU  21   2.058 -19.254 -19.254
  881    HA   GLU  21           HA       GLU  21   0.347 -21.670 -21.670
  882   1HB   GLU  21          2HB       GLU  21  -0.273 -19.105 -19.105
  883   2HB   GLU  21          1HB       GLU  21  -0.605 -20.494 -20.494
  884   1HG   GLU  21          2HG       GLU  21  -1.529 -21.181 -21.181
  885   2HG   GLU  21          1HG       GLU  21  -2.104 -19.544 -19.544
  886    H    GLY  22           H        GLY  22   1.162 -20.080 -20.080
  887   1HA   GLY  22          2HA       GLY  22   3.257 -22.112 -22.112
  888   2HA   GLY  22          1HA       GLY  22   1.872 -22.030 -22.030
  889    H    ASP  23           H        ASP  23   1.406 -19.453 -19.453
  890    HA   ASP  23           HA       ASP  23   3.202 -18.539 -18.539
  891   1HB   ASP  23          2HB       ASP  23   2.219 -16.294 -16.294
  892   2HB   ASP  23          1HB       ASP  23   1.000 -17.568 -17.568
  893    H    LYS  24           H        LYS  24   4.846 -16.791 -16.791
  894    HA   LYS  24           HA       LYS  24   6.520 -17.016 -17.016
  895   1HB   LYS  24          2HB       LYS  24   6.918 -16.910 -16.910
  896   2HB   LYS  24          1HB       LYS  24   7.816 -15.599 -15.599
  897   1HG   LYS  24          2HG       LYS  24   9.390 -17.119 -17.119
  898   2HG   LYS  24          1HG       LYS  24   8.227 -17.808 -17.808
  899   1HD   LYS  24          2HD       LYS  24   8.772 -19.653 -19.653
  900   2HD   LYS  24          1HD       LYS  24   7.298 -19.054 -19.054
  901   1HE   LYS  24          2HE       LYS  24   8.412 -18.635 -18.635
  902   2HE   LYS  24          1HE       LYS  24   9.630 -17.678 -17.678
  903   1HZ   LYS  24          2HZ       LYS  24   9.550 -20.641 -20.641
  904   2HZ   LYS  24          1HZ       LYS  24  10.476 -19.785 -19.785
  905   3HZ   LYS  24          3HZ       LYS  24  10.805 -19.618 -19.618
  906    H    HIS  25           H        HIS  25   6.327 -14.340 -14.340
  907    HA   HIS  25           HA       HIS  25   5.878 -12.491 -12.491
  908   1HB   HIS  25          2HB       HIS  25   7.489 -12.352 -12.352
  909   2HB   HIS  25          1HB       HIS  25   7.103 -10.895 -10.895
  910    HD1  HIS  25           HD1      HIS  25   9.956 -11.222 -11.222
  911    HD2  HIS  25           HD2      HIS  25   7.570 -13.528 -13.528
  912    HE1  HIS  25           HE1      HIS  25  11.460 -12.025 -12.025
  913    H    LYS  26           H        LYS  26   3.583 -13.438 -13.438
  914    HA   LYS  26           HA       LYS  26   2.337 -11.153 -11.153
  915   1HB   LYS  26          2HB       LYS  26   2.423 -13.994 -13.994
  916   2HB   LYS  26          1HB       LYS  26   1.263 -12.793 -12.793
  917   1HG   LYS  26          2HG       LYS  26   2.899 -12.355 -12.355
  918   2HG   LYS  26          1HG       LYS  26   3.545 -11.359 -11.359
  919   1HD   LYS  26          2HD       LYS  26   4.638 -13.695 -13.695
  920   2HD   LYS  26          1HD       LYS  26   4.483 -14.004 -14.004
  921   1HE   LYS  26          2HE       LYS  26   5.536 -11.566 -11.566
  922   2HE   LYS  26          1HE       LYS  26   6.176 -11.978 -11.978
  923   1HZ   LYS  26          1HZ       LYS  26   6.287 -13.932 -13.932
  924   2HZ   LYS  26          3HZ       LYS  26   7.484 -12.738 -12.738
  925   3HZ   LYS  26          2HZ       LYS  26   7.245 -13.848 -13.848
  926    H    LEU  27           H        LEU  27  -0.186 -11.883 -11.883
  927    HA   LEU  27           HA       LEU  27  -1.001 -13.502 -13.502
  928   1HB   LEU  27          2HB       LEU  27  -1.138 -10.582 -10.582
  929   2HB   LEU  27          1HB       LEU  27  -2.671 -11.310 -11.310
  930    HG   LEU  27           HG       LEU  27  -0.196 -12.187 -12.187
  931   1HD1  LEU  27          3HD1      LEU  27  -0.470  -9.539  -9.539
  932   2HD1  LEU  27          2HD1      LEU  27  -1.646  -9.800  -9.800
  933   3HD1  LEU  27          1HD1      LEU  27   0.034 -10.284 -10.284
  934   1HD2  LEU  27          2HD2      LEU  27  -2.916 -12.675 -12.675
  935   2HD2  LEU  27          1HD2      LEU  27  -1.712 -13.019 -13.019
  936   3HD2  LEU  27          3HD2      LEU  27  -2.614 -11.505 -11.505
  937    H    LYS  28           H        LYS  28  -3.592 -13.426 -13.426
  938    HA   LYS  28           HA       LYS  28  -4.628 -13.483 -13.483
  939   1HB   LYS  28          2HB       LYS  28  -3.779 -15.721 -15.721
  940   2HB   LYS  28          1HB       LYS  28  -5.537 -15.739 -15.739
  941   1HG   LYS  28          2HG       LYS  28  -5.632 -15.393 -15.393
  942   2HG   LYS  28          1HG       LYS  28  -3.895 -15.703 -15.703
  943   1HD   LYS  28          2HD       LYS  28  -5.956 -17.603 -17.603
  944   2HD   LYS  28          1HD       LYS  28  -5.248 -17.754 -17.754
  945   1HE   LYS  28          2HE       LYS  28  -3.193 -17.410 -17.410
  946   2HE   LYS  28          1HE       LYS  28  -4.191 -18.848 -18.848
  947   1HZ   LYS  28          3HZ       LYS  28  -3.116 -18.144 -18.144
  948   2HZ   LYS  28          2HZ       LYS  28  -2.291 -19.166 -19.166
  949   3HZ   LYS  28          1HZ       LYS  28  -3.820 -19.609 -19.609
  950    H    LYS  29           H        LYS  29  -6.958 -13.283 -13.283
  951    HA   LYS  29           HA       LYS  29  -8.244 -11.515 -11.515
  952   1HB   LYS  29          2HB       LYS  29  -9.457 -13.986 -13.986
  953   2HB   LYS  29          1HB       LYS  29 -10.316 -12.498 -12.498
  954   1HG   LYS  29          2HG       LYS  29  -9.655 -11.522 -11.522
  955   2HG   LYS  29          1HG       LYS  29  -7.965 -11.904 -11.904
  956   1HD   LYS  29          2HD       LYS  29  -8.761 -14.353 -14.353
  957   2HD   LYS  29          1HD       LYS  29  -9.971 -13.437 -13.437
  958   1HE   LYS  29          2HE       LYS  29  -8.158 -12.113 -12.113
  959   2HE   LYS  29          1HE       LYS  29  -6.958 -13.098 -13.098
  960   1HZ   LYS  29          1HZ       LYS  29  -9.059 -14.561 -14.561
  961   2HZ   LYS  29          3HZ       LYS  29  -7.949 -13.772 -13.772
  962   3HZ   LYS  29          2HZ       LYS  29  -7.402 -14.908 -14.908
  963    H    SER  30           H        SER  30  -7.891 -15.012 -15.012
  964    HA   SER  30           HA       SER  30  -9.596 -15.130 -15.130
  965   1HB   SER  30          2HB       SER  30  -8.977 -17.053 -17.053
  966   2HB   SER  30          1HB       SER  30  -7.299 -16.883 -16.883
  967    HG   SER  30           HG       SER  30  -9.335 -18.127 -18.127
  968    H    GLU  31           H        GLU  31  -6.016 -15.251 -15.251
  969    HA   GLU  31           HA       GLU  31  -5.464 -14.982 -14.982
  970   1HB   GLU  31          2HB       GLU  31  -3.894 -14.207 -14.207
  971   2HB   GLU  31          1HB       GLU  31  -3.204 -14.306 -14.306
  972   1HG   GLU  31          2HG       GLU  31  -4.381 -16.723 -16.723
  973   2HG   GLU  31          1HG       GLU  31  -4.075 -16.491 -16.491
  974    H    LEU  32           H        LEU  32  -6.148 -12.631 -12.631
  975    HA   LEU  32           HA       LEU  32  -5.360 -10.262 -10.262
  976   1HB   LEU  32          2HB       LEU  32  -6.609 -11.051 -11.051
  977   2HB   LEU  32          1HB       LEU  32  -7.562  -9.757  -9.757
  978    HG   LEU  32           HG       LEU  32  -4.617  -9.713  -9.713
  979   1HD1  LEU  32          3HD1      LEU  32  -6.428  -9.181  -9.181
  980   2HD1  LEU  32          2HD1      LEU  32  -6.819  -7.773  -7.773
  981   3HD1  LEU  32          1HD1      LEU  32  -5.219  -7.924  -7.924
  982   1HD2  LEU  32          1HD2      LEU  32  -6.191  -8.137  -8.137
  983   2HD2  LEU  32          3HD2      LEU  32  -4.468  -8.514  -8.514
  984   3HD2  LEU  32          2HD2      LEU  32  -5.102  -7.224  -7.224
  985    H    LYS  33           H        LYS  33  -8.416 -12.085 -12.085
  986    HA   LYS  33           HA       LYS  33 -10.139 -10.383 -10.383
  987   1HB   LYS  33          2HB       LYS  33 -10.391 -12.740 -12.740
  988   2HB   LYS  33          1HB       LYS  33 -10.144 -13.356 -13.356
  989   1HG   LYS  33          2HG       LYS  33 -12.154 -11.173 -11.173
  990   2HG   LYS  33          1HG       LYS  33 -12.581 -12.867 -12.867
  991   1HD   LYS  33          2HD       LYS  33 -12.176 -13.408 -13.408
  992   2HD   LYS  33          1HD       LYS  33 -11.335 -11.884 -11.884
  993   1HE   LYS  33          2HE       LYS  33 -13.520 -11.587 -11.587
  994   2HE   LYS  33          1HE       LYS  33 -13.576 -10.741 -10.741
  995   1HZ   LYS  33          1HZ       LYS  33 -14.183 -13.614 -13.614
  996   2HZ   LYS  33          3HZ       LYS  33 -15.380 -12.517 -12.517
  997   3HZ   LYS  33          2HZ       LYS  33 -14.745 -12.428 -12.428
  998    H    GLU  34           H        GLU  34  -8.197 -13.112 -13.112
  999    HA   GLU  34           HA       GLU  34  -8.636 -12.682 -12.682
 1000   1HB   GLU  34          2HB       GLU  34  -7.055 -14.274 -14.274
 1001   2HB   GLU  34          1HB       GLU  34  -5.862 -13.318 -13.318
 1002   1HG   GLU  34          2HG       GLU  34  -7.188 -13.933 -13.933
 1003   2HG   GLU  34          1HG       GLU  34  -8.000 -15.141 -15.141
 1004    H    LEU  35           H        LEU  35  -6.353 -11.143 -11.143
 1005    HA   LEU  35           HA       LEU  35  -4.829  -9.627  -9.627
 1006   1HB   LEU  35          2HB       LEU  35  -4.934 -10.031 -10.031
 1007   2HB   LEU  35          1HB       LEU  35  -5.607  -8.401  -8.401
 1008    HG   LEU  35           HG       LEU  35  -3.254  -8.827  -8.827
 1009   1HD1  LEU  35          1HD1      LEU  35  -3.066  -9.997  -9.997
 1010   2HD1  LEU  35          3HD1      LEU  35  -2.429  -8.377  -8.377
 1011   3HD1  LEU  35          2HD1      LEU  35  -1.702  -9.407  -9.407
 1012   1HD2  LEU  35          3HD2      LEU  35  -4.386  -6.657  -6.657
 1013   2HD2  LEU  35          2HD2      LEU  35  -2.699  -6.630  -6.630
 1014   3HD2  LEU  35          1HD2      LEU  35  -3.969  -6.775  -6.775
 1015    H    ILE  36           H        ILE  36  -7.815  -8.651  -8.651
 1016    HA   ILE  36           HA       ILE  36  -8.007  -6.152  -6.152
 1017    HB   ILE  36           HB       ILE  36  -9.677  -7.723  -7.723
 1018   1HG1  ILE  36          2HG1      ILE  36  -9.290  -5.727  -5.727
 1019   2HG1  ILE  36          1HG1      ILE  36  -8.445  -4.950  -4.950
 1020   1HG2  ILE  36          1HG2      ILE  36 -10.478  -5.310  -5.310
 1021   2HG2  ILE  36          3HG2      ILE  36 -11.182  -5.634  -5.634
 1022   3HG2  ILE  36          2HG2      ILE  36 -11.387  -6.798  -6.798
 1023   1HD1  ILE  36          3HD1      ILE  36  -7.578  -7.632  -7.632
 1024   2HD1  ILE  36          2HD1      ILE  36  -6.992  -6.123  -6.123
 1025   3HD1  ILE  36          1HD1      ILE  36  -6.657  -6.501  -6.501
 1026    H    ASN  37           H        ASN  37  -8.928  -9.432  -9.432
 1027    HA   ASN  37           HA       ASN  37 -11.098  -8.785  -8.785
 1028   1HB   ASN  37          2HB       ASN  37 -11.513 -10.667 -10.667
 1029   2HB   ASN  37          1HB       ASN  37  -9.846 -11.226 -11.226
 1030   1HD2  ASN  37          2HD2      ASN  37 -10.322 -12.632 -12.632
 1031   2HD2  ASN  37          1HD2      ASN  37  -9.160 -11.817 -11.817
 1032    H    ASN  38           H        ASN  38  -7.713  -9.765  -9.765
 1033    HA   ASN  38           HA       ASN  38  -7.692 -10.365 -10.365
 1034   1HB   ASN  38          2HB       ASN  38  -5.873 -10.406 -10.406
 1035   2HB   ASN  38          1HB       ASN  38  -5.092 -10.140 -10.140
 1036   1HD2  ASN  38          2HD2      ASN  38  -5.212 -13.797 -13.797
 1037   2HD2  ASN  38          1HD2      ASN  38  -4.338 -12.498 -12.498
 1038    H    GLU  39           H        GLU  39  -7.695  -7.543  -7.543
 1039    HA   GLU  39           HA       GLU  39  -6.249  -5.989  -5.989
 1040   1HB   GLU  39          2HB       GLU  39  -5.723  -4.434  -4.434
 1041   2HB   GLU  39          1HB       GLU  39  -5.201  -6.063  -6.063
 1042   1HG   GLU  39          2HG       GLU  39  -7.352  -6.360  -6.360
 1043   2HG   GLU  39          1HG       GLU  39  -7.736  -4.676  -4.676
 1044    H    LEU  40           H        LEU  40  -8.979  -5.927  -5.927
 1045    HA   LEU  40           HA       LEU  40 -10.266  -3.850  -3.850
 1046   1HB   LEU  40          2HB       LEU  40 -10.518  -4.433  -4.433
 1047   2HB   LEU  40          1HB       LEU  40 -11.368  -3.146  -3.146
 1048    HG   LEU  40           HG       LEU  40  -8.439  -3.224  -3.224
 1049   1HD1  LEU  40          1HD1      LEU  40  -9.684  -2.511  -2.511
 1050   2HD1  LEU  40          3HD1      LEU  40  -8.048  -2.059  -2.059
 1051   3HD1  LEU  40          2HD1      LEU  40  -8.475  -3.759  -3.759
 1052   1HD2  LEU  40          2HD2      LEU  40 -10.587  -1.158  -1.158
 1053   2HD2  LEU  40          1HD2      LEU  40  -9.615  -1.406  -1.406
 1054   3HD2  LEU  40          3HD2      LEU  40  -8.876  -0.727  -0.727
 1055    H    SER  41           H        SER  41 -10.948  -5.994  -5.994
 1056    HA   SER  41           HA       SER  41 -12.766  -7.860  -7.860
 1057   1HB   SER  41          2HB       SER  41 -11.769  -8.048  -8.048
 1058   2HB   SER  41          1HB       SER  41 -12.570  -6.570  -6.570
 1059    HG   SER  41           HG       SER  41 -13.986  -8.020  -8.020
 1060    H    HIS  42           H        HIS  42 -13.208  -4.502  -4.502
 1061    HA   HIS  42           HA       HIS  42 -16.078  -4.471  -4.471
 1062   1HB   HIS  42          2HB       HIS  42 -14.040  -2.352  -2.352
 1063   2HB   HIS  42          1HB       HIS  42 -15.715  -2.021  -2.021
 1064    HD1  HIS  42           HD1      HIS  42 -14.602  -0.641  -0.641
 1065    HD2  HIS  42           HD2      HIS  42 -14.126  -4.781  -4.781
 1066    HE1  HIS  42           HE1      HIS  42 -13.922  -1.210  -1.210
 1067    H    PHE  43           H        PHE  43 -13.864  -3.566  -3.566
 1068    HA   PHE  43           HA       PHE  43 -15.920  -3.107  -3.107
 1069   1HB   PHE  43          2HB       PHE  43 -13.092  -3.084  -3.084
 1070   2HB   PHE  43          1HB       PHE  43 -13.488  -4.151  -4.151
 1071    HD1  PHE  43           HD1      PHE  43 -15.751  -3.147  -3.147
 1072    HD2  PHE  43           HD2      PHE  43 -12.636  -0.884  -0.884
 1073    HE1  PHE  43           HE1      PHE  43 -16.282  -1.193  -1.193
 1074    HE2  PHE  43           HE2      PHE  43 -13.176   1.063   1.063
 1075    HZ   PHE  43           HZ       PHE  43 -14.997   0.913   0.913
 1076    H    LEU  44           H        LEU  44 -14.836  -6.012  -6.012
 1077    HA   LEU  44           HA       LEU  44 -15.043  -7.946  -7.946
 1078   1HB   LEU  44          2HB       LEU  44 -14.547  -8.007  -8.007
 1079   2HB   LEU  44          1HB       LEU  44 -16.273  -8.348  -8.348
 1080    HG   LEU  44           HG       LEU  44 -16.039 -10.286 -10.286
 1081   1HD1  LEU  44          1HD1      LEU  44 -13.450  -8.991  -8.991
 1082   2HD1  LEU  44          3HD1      LEU  44 -13.361 -10.743 -10.743
 1083   3HD1  LEU  44          2HD1      LEU  44 -14.425 -10.043 -10.043
 1084   1HD2  LEU  44          2HD2      LEU  44 -15.391 -10.379 -10.379
 1085   2HD2  LEU  44          1HD2      LEU  44 -14.829 -11.704 -11.704
 1086   3HD2  LEU  44          3HD2      LEU  44 -13.719 -10.412 -10.412
 1087    H    GLU  45           H        GLU  45 -17.561  -6.552  -6.552
 1088    HA   GLU  45           HA       GLU  45 -19.802  -7.856  -7.856
 1089   1HB   GLU  45          2HB       GLU  45 -19.156  -5.867  -5.867
 1090   2HB   GLU  45          1HB       GLU  45 -20.634  -5.460  -5.460
 1091   1HG   GLU  45          2HG       GLU  45 -20.213  -8.271  -8.271
 1092   2HG   GLU  45          1HG       GLU  45 -20.783  -7.031  -7.031
 1093    H    GLU  46           H        GLU  46 -18.029  -4.851  -4.851
 1094    HA   GLU  46           HA       GLU  46 -18.165  -3.172  -3.172
 1095   1HB   GLU  46          2HB       GLU  46 -17.627  -5.535  -5.535
 1096   2HB   GLU  46          1HB       GLU  46 -19.210  -5.318  -5.318
 1097   1HG   GLU  46          2HG       GLU  46 -18.523  -3.510  -3.510
 1098   2HG   GLU  46          1HG       GLU  46 -17.306  -3.017  -3.017
 1099    H    ILE  47           H        ILE  47 -20.805  -4.098  -4.098
 1100    HA   ILE  47           HA       ILE  47 -22.879  -3.393  -3.393
 1101    HB   ILE  47           HB       ILE  47 -22.962  -5.138  -5.138
 1102   1HG1  ILE  47          2HG1      ILE  47 -24.978  -4.225  -4.225
 1103   2HG1  ILE  47          1HG1      ILE  47 -25.293  -4.672  -4.672
 1104   1HG2  ILE  47          2HG2      ILE  47 -23.133  -2.592  -2.592
 1105   2HG2  ILE  47          1HG2      ILE  47 -23.544  -4.193  -4.193
 1106   3HG2  ILE  47          3HG2      ILE  47 -21.890  -3.838  -3.838
 1107   1HD1  ILE  47          1HD1      ILE  47 -24.520  -2.083  -2.083
 1108   2HD1  ILE  47          3HD1      ILE  47 -25.280  -1.996  -1.996
 1109   3HD1  ILE  47          2HD1      ILE  47 -26.200  -2.580  -2.580
 1110    H    LYS  48           H        LYS  48 -21.155  -1.960  -1.960
 1111    HA   LYS  48           HA       LYS  48 -22.696   0.289   0.289
 1112   1HB   LYS  48          2HB       LYS  48 -19.833   0.905   0.905
 1113   2HB   LYS  48          1HB       LYS  48 -20.788   1.092   1.092
 1114   1HG   LYS  48          2HG       LYS  48 -19.556  -1.484  -1.484
 1115   2HG   LYS  48          1HG       LYS  48 -19.026  -0.547  -0.547
 1116   1HD   LYS  48          2HD       LYS  48 -21.119  -0.966  -0.966
 1117   2HD   LYS  48          1HD       LYS  48 -21.774  -1.793  -1.793
 1118   1HE   LYS  48          2HE       LYS  48 -20.287  -3.633  -3.633
 1119   2HE   LYS  48          1HE       LYS  48 -19.230  -2.731  -2.731
 1120   1HZ   LYS  48          3HZ       LYS  48 -21.448  -2.485  -2.485
 1121   2HZ   LYS  48          2HZ       LYS  48 -21.875  -3.903  -3.903
 1122   3HZ   LYS  48          1HZ       LYS  48 -20.499  -3.880  -3.880
 1123    H    GLU  49           H        GLU  49 -21.029  -0.472  -0.472
 1124    HA   GLU  49           HA       GLU  49 -22.066   2.036   2.036
 1125   1HB   GLU  49          2HB       GLU  49 -19.727   2.128   2.128
 1126   2HB   GLU  49          1HB       GLU  49 -19.839   2.632   2.632
 1127   1HG   GLU  49          2HG       GLU  49 -19.420  -0.244  -0.244
 1128   2HG   GLU  49          1HG       GLU  49 -18.132   0.669   0.669
 1129    H    GLN  50           H        GLN  50 -23.571   0.685   0.685
 1130    HA   GLN  50           HA       GLN  50 -22.960  -1.701  -1.701
 1131   1HB   GLN  50          2HB       GLN  50 -24.998   0.488   0.488
 1132   2HB   GLN  50          1HB       GLN  50 -24.950  -0.676  -0.676
 1133   1HG   GLN  50          2HG       GLN  50 -24.730  -2.083  -2.083
 1134   2HG   GLN  50          1HG       GLN  50 -26.135  -1.017  -1.017
 1135   1HE2  GLN  50          2HE2      GLN  50 -26.057  -4.068  -4.068
 1136   2HE2  GLN  50          1HE2      GLN  50 -24.600  -3.527  -3.527
 1137    H    GLU  51           H        GLU  51 -23.309   1.581   1.581
 1138    HA   GLU  51           HA       GLU  51 -22.452   1.172   1.172
 1139   1HB   GLU  51          2HB       GLU  51 -23.128   3.327   3.327
 1140   2HB   GLU  51          1HB       GLU  51 -21.635   3.386   3.386
 1141   1HG   GLU  51          2HG       GLU  51 -20.405   3.188   3.188
 1142   2HG   GLU  51          1HG       GLU  51 -21.956   3.546   3.546
 1143    H    VAL  52           H        VAL  52 -20.455   1.062   1.062
 1144    HA   VAL  52           HA       VAL  52 -17.913   1.094   1.094
 1145    HB   VAL  52           HB       VAL  52 -18.801   0.384   0.384
 1146   1HG1  VAL  52          2HG1      VAL  52 -16.765  -0.897  -0.897
 1147   2HG1  VAL  52          1HG1      VAL  52 -15.983   0.609   0.609
 1148   3HG1  VAL  52          3HG1      VAL  52 -16.414   0.340   0.340
 1149   1HG2  VAL  52          3HG2      VAL  52 -18.909   2.777   2.777
 1150   2HG2  VAL  52          2HG2      VAL  52 -17.787   2.523   2.523
 1151   3HG2  VAL  52          1HG2      VAL  52 -17.175   2.707   2.707
 1152    H    VAL  53           H        VAL  53 -19.991  -1.411  -1.411
 1153    HA   VAL  53           HA       VAL  53 -18.411  -3.700  -3.700
 1154    HB   VAL  53           HB       VAL  53 -21.378  -3.316  -3.316
 1155   1HG1  VAL  53          1HG1      VAL  53 -19.697  -5.595  -5.595
 1156   2HG1  VAL  53          3HG1      VAL  53 -20.677  -5.822  -5.822
 1157   3HG1  VAL  53          2HG1      VAL  53 -21.456  -5.540  -5.540
 1158   1HG2  VAL  53          1HG2      VAL  53 -20.131  -2.676  -2.676
 1159   2HG2  VAL  53          3HG2      VAL  53 -21.771  -3.324  -3.324
 1160   3HG2  VAL  53          2HG2      VAL  53 -20.410  -4.396  -4.396
 1161    H    ASP  54           H        ASP  54 -20.231  -1.716  -1.716
 1162    HA   ASP  54           HA       ASP  54 -19.885  -3.380  -3.380
 1163   1HB   ASP  54          2HB       ASP  54 -21.635  -1.815  -1.815
 1164   2HB   ASP  54          1HB       ASP  54 -20.654  -0.544  -0.544
 1165    H    LYS  55           H        LYS  55 -18.167  -0.583  -0.583
 1166    HA   LYS  55           HA       LYS  55 -16.140  -0.500  -0.500
 1167   1HB   LYS  55          2HB       LYS  55 -16.691   0.772   0.772
 1168   2HB   LYS  55          1HB       LYS  55 -15.094   0.967   0.967
 1169   1HG   LYS  55          2HG       LYS  55 -16.200   2.779   2.779
 1170   2HG   LYS  55          1HG       LYS  55 -16.508   1.551   1.551
 1171   1HD   LYS  55          2HD       LYS  55 -18.661   1.018   1.018
 1172   2HD   LYS  55          1HD       LYS  55 -18.371   2.387   2.387
 1173   1HE   LYS  55          2HE       LYS  55 -19.079   3.863   3.863
 1174   2HE   LYS  55          1HE       LYS  55 -18.048   3.122   3.122
 1175   1HZ   LYS  55          3HZ       LYS  55 -20.549   1.873   1.873
 1176   2HZ   LYS  55          2HZ       LYS  55 -20.496   2.862   2.862
 1177   3HZ   LYS  55          1HZ       LYS  55 -19.624   1.405   1.405
 1178    H    VAL  56           H        VAL  56 -15.813  -1.152  -1.152
 1179    HA   VAL  56           HA       VAL  56 -13.282  -2.215  -2.215
 1180    HB   VAL  56           HB       VAL  56 -15.898  -2.932  -2.932
 1181   1HG1  VAL  56          2HG1      VAL  56 -13.406  -4.494  -4.494
 1182   2HG1  VAL  56          1HG1      VAL  56 -13.975  -4.029  -4.029
 1183   3HG1  VAL  56          3HG1      VAL  56 -15.025  -4.949  -4.949
 1184   1HG2  VAL  56          3HG2      VAL  56 -13.327  -1.611  -1.611
 1185   2HG2  VAL  56          2HG2      VAL  56 -14.847  -0.794  -0.794
 1186   3HG2  VAL  56          1HG2      VAL  56 -14.739  -1.891  -1.891
 1187    H    MET  57           H        MET  57 -16.161  -3.831  -3.831
 1188    HA   MET  57           HA       MET  57 -14.746  -6.377  -6.377
 1189   1HB   MET  57          2HB       MET  57 -17.460  -5.245  -5.245
 1190   2HB   MET  57          1HB       MET  57 -16.964  -6.877  -6.877
 1191   1HG   MET  57          2HG       MET  57 -16.549  -6.125  -6.125
 1192   2HG   MET  57          1HG       MET  57 -18.224  -6.311  -6.311
 1193   1HE   MET  57          3HE       MET  57 -15.332  -7.664  -7.664
 1194   2HE   MET  57          2HE       MET  57 -15.211  -9.389  -9.389
 1195   3HE   MET  57          1HE       MET  57 -14.631  -8.222  -8.222
 1196    H    GLU  58           H        GLU  58 -15.648  -3.532  -3.532
 1197    HA   GLU  58           HA       GLU  58 -15.212  -4.575  -4.575
 1198   1HB   GLU  58          2HB       GLU  58 -15.423  -2.350  -2.350
 1199   2HB   GLU  58          1HB       GLU  58 -16.098  -2.272  -2.272
 1200   1HG   GLU  58          2HG       GLU  58 -14.587  -0.494  -0.494
 1201   2HG   GLU  58          1HG       GLU  58 -13.608  -1.797  -1.797
 1202    H    THR  59           H        THR  59 -12.914  -3.359  -3.359
 1203    HA   THR  59           HA       THR  59 -10.652  -3.604  -3.604
 1204    HB   THR  59           HB       THR  59 -10.928  -2.847  -2.847
 1205    HG1  THR  59           HG1      THR  59 -11.714  -1.259  -1.259
 1206   1HG2  THR  59          2HG2      THR  59  -8.589  -3.524  -3.524
 1207   2HG2  THR  59          1HG2      THR  59  -8.493  -1.893  -1.893
 1208   3HG2  THR  59          3HG2      THR  59  -8.716  -3.274  -3.274
 1209    H    LEU  60           H        LEU  60 -11.941  -5.187  -5.187
 1210    HA   LEU  60           HA       LEU  60  -9.912  -7.020  -7.020
 1211   1HB   LEU  60          2HB       LEU  60 -12.076  -6.622  -6.622
 1212   2HB   LEU  60          1HB       LEU  60 -12.910  -7.497  -7.497
 1213    HG   LEU  60           HG       LEU  60 -11.918  -9.551  -9.551
 1214   1HD1  LEU  60          1HD1      LEU  60  -9.843  -7.817  -7.817
 1215   2HD1  LEU  60          3HD1      LEU  60 -10.047  -9.489  -9.489
 1216   3HD1  LEU  60          2HD1      LEU  60  -9.620  -9.135  -9.135
 1217   1HD2  LEU  60          3HD2      LEU  60 -12.934  -7.859  -7.859
 1218   2HD2  LEU  60          2HD2      LEU  60 -13.311  -9.541  -9.541
 1219   3HD2  LEU  60          1HD2      LEU  60 -11.890  -9.152  -9.152
 1220    H    ASP  61           H        ASP  61 -12.207  -7.036  -7.036
 1221    HA   ASP  61           HA       ASP  61 -11.380  -9.741  -9.741
 1222   1HB   ASP  61          2HB       ASP  61 -13.669  -8.167  -8.167
 1223   2HB   ASP  61          1HB       ASP  61 -13.015  -8.108  -8.108
 1224    H    SER  62           H        SER  62 -10.732  -6.372  -6.372
 1225    HA   SER  62           HA       SER  62  -9.351  -7.015  -7.015
 1226   1HB   SER  62          2HB       SER  62  -9.890  -4.858  -4.858
 1227   2HB   SER  62          1HB       SER  62 -10.700  -4.821  -4.821
 1228    HG   SER  62           HG       SER  62  -8.930  -3.246  -3.246
 1229    H    ASP  63           H        ASP  63  -8.615  -6.741  -6.741
 1230    HA   ASP  63           HA       ASP  63  -6.066  -5.704  -5.704
 1231   1HB   ASP  63          2HB       ASP  63  -7.419  -8.180  -8.180
 1232   2HB   ASP  63          1HB       ASP  63  -5.790  -7.753  -7.753
 1233    H    GLY  64           H        GLY  64  -4.849  -5.985  -5.985
 1234   1HA   GLY  64          2HA       GLY  64  -3.553  -7.177  -7.177
 1235   2HA   GLY  64          1HA       GLY  64  -2.978  -8.033  -8.033
 1236    H    ASP  65           H        ASP  65  -6.319  -8.059  -8.059
 1237    HA   ASP  65           HA       ASP  65  -7.461 -10.299 -10.299
 1238   1HB   ASP  65          2HB       ASP  65  -8.240  -8.798  -8.798
 1239   2HB   ASP  65          1HB       ASP  65  -6.846  -9.141  -9.141
 1240    H    GLY  66           H        GLY  66  -6.260 -12.115 -12.115
 1241   1HA   GLY  66          2HA       GLY  66  -5.673 -14.341 -14.341
 1242   2HA   GLY  66          1HA       GLY  66  -4.711 -13.465 -13.465
 1243    H    GLU  67           H        GLU  67  -3.538 -11.569 -11.569
 1244    HA   GLU  67           HA       GLU  67  -2.107 -13.162 -13.162
 1245   1HB   GLU  67          2HB       GLU  67  -0.947 -13.585 -13.585
 1246   2HB   GLU  67          1HB       GLU  67  -0.788 -11.849 -11.849
 1247   1HG   GLU  67          2HG       GLU  67   1.228 -12.104 -12.104
 1248   2HG   GLU  67          1HG       GLU  67   0.273 -12.101 -12.101
 1249    H    CYS  68           H        CYS  68  -2.447 -11.765 -11.765
 1250    HA   CYS  68           HA       CYS  68  -2.354  -8.835  -8.835
 1251   1HB   CYS  68          2HB       CYS  68  -2.817 -10.587 -10.587
 1252   2HB   CYS  68          1HB       CYS  68  -3.097  -8.847  -8.847
 1253    HG   CYS  68           HG       CYS  68  -4.939 -10.999 -10.999
 1254    H    ASP  69           H        ASP  69  -0.185  -8.215  -8.215
 1255    HA   ASP  69           HA       ASP  69   1.916  -9.388  -9.388
 1256   1HB   ASP  69          2HB       ASP  69   1.865  -7.179  -7.179
 1257   2HB   ASP  69          1HB       ASP  69   3.326  -7.867  -7.867
 1258    H    PHE  70           H        PHE  70   3.536  -7.766  -7.766
 1259    HA   PHE  70           HA       PHE  70   3.092  -6.600  -6.600
 1260   1HB   PHE  70          2HB       PHE  70   4.642  -5.730  -5.730
 1261   2HB   PHE  70          1HB       PHE  70   4.570  -4.624  -4.624
 1262    HD1  PHE  70           HD1      PHE  70   5.073  -8.301  -8.301
 1263    HD2  PHE  70           HD2      PHE  70   6.291  -4.737  -4.737
 1264    HE1  PHE  70           HE1      PHE  70   6.907  -9.541  -9.541
 1265    HE2  PHE  70           HE2      PHE  70   8.152  -5.980  -5.980
 1266    HZ   PHE  70           HZ       PHE  70   8.437  -8.360  -8.360
 1267    H    GLN  71           H        GLN  71   3.279  -4.230  -4.230
 1268    HA   GLN  71           HA       GLN  71   1.826  -2.175  -2.175
 1269   1HB   GLN  71          2HB       GLN  71   1.496  -1.546  -1.546
 1270   2HB   GLN  71          1HB       GLN  71   3.147  -1.847  -1.847
 1271   1HG   GLN  71          2HG       GLN  71   3.338  -3.811  -3.811
 1272   2HG   GLN  71          1HG       GLN  71   1.625  -4.203  -4.203
 1273   1HE2  GLN  71          2HE2      GLN  71   1.119  -3.187  -3.187
 1274   2HE2  GLN  71          1HE2      GLN  71   0.910  -4.389  -4.389
 1275    H    GLU  72           H        GLU  72   0.562  -5.111  -5.111
 1276    HA   GLU  72           HA       GLU  72  -2.119  -4.060  -4.060
 1277   1HB   GLU  72          2HB       GLU  72  -1.293  -6.948  -6.948
 1278   2HB   GLU  72          1HB       GLU  72  -2.542  -6.274  -6.274
 1279   1HG   GLU  72          2HG       GLU  72  -0.278  -4.907  -4.907
 1280   2HG   GLU  72          1HG       GLU  72   0.346  -6.524  -6.524
 1281    H    PHE  73           H        PHE  73  -0.556  -5.996  -5.996
 1282    HA   PHE  73           HA       PHE  73  -3.018  -6.313  -6.313
 1283   1HB   PHE  73          2HB       PHE  73  -1.595  -7.764  -7.764
 1284   2HB   PHE  73          1HB       PHE  73  -0.239  -7.046  -7.046
 1285    HD1  PHE  73           HD2      PHE  73  -2.507  -5.993  -5.993
 1286    HD2  PHE  73           HD1      PHE  73   1.519  -6.428  -6.428
 1287    HE1  PHE  73           HE2      PHE  73  -1.642  -5.039  -5.039
 1288    HE2  PHE  73           HE1      PHE  73   2.377  -5.484  -5.484
 1289    HZ   PHE  73           HZ       PHE  73   0.797  -4.787  -4.787
 1290    H    MET  74           H        MET  74  -0.470  -3.892  -3.892
 1291    HA   MET  74           HA       MET  74  -1.440  -2.358  -2.358
 1292   1HB   MET  74          2HB       MET  74   0.361  -1.448  -1.448
 1293   2HB   MET  74          1HB       MET  74   0.383  -0.924  -0.924
 1294   1HG   MET  74          2HG       MET  74   0.734  -3.796  -3.796
 1295   2HG   MET  74          1HG       MET  74   1.935  -2.973  -2.973
 1296   1HE   MET  74          1HE       MET  74   3.193  -1.309  -1.309
 1297   2HE   MET  74          3HE       MET  74   3.493  -0.446  -0.446
 1298   3HE   MET  74          2HE       MET  74   4.390  -1.915  -1.915
 1299    H    ALA  75           H        ALA  75  -2.018  -2.502  -2.502
 1300    HA   ALA  75           HA       ALA  75  -3.230   0.120   0.120
 1301   1HB   ALA  75          1HB       ALA  75  -3.253  -2.490  -2.490
 1302   2HB   ALA  75          3HB       ALA  75  -4.035  -1.028  -1.028
 1303   3HB   ALA  75          2HB       ALA  75  -2.288  -1.053  -1.053
 1304    H    PHE  76           H        PHE  76  -4.690  -3.133  -3.133
 1305    HA   PHE  76           HA       PHE  76  -7.379  -2.327  -2.327
 1306   1HB   PHE  76          2HB       PHE  76  -6.751  -4.521  -4.521
 1307   2HB   PHE  76          1HB       PHE  76  -5.864  -4.847  -4.847
 1308    HD1  PHE  76           HD1      PHE  76  -9.314  -3.649  -3.649
 1309    HD2  PHE  76           HD2      PHE  76  -6.914  -6.343  -6.343
 1310    HE1  PHE  76           HE1      PHE  76 -11.368  -4.613  -4.613
 1311    HE2  PHE  76           HE2      PHE  76  -8.967  -7.302  -7.302
 1312    HZ   PHE  76           HZ       PHE  76 -11.194  -6.438  -6.438
 1313    H    VAL  77           H        VAL  77  -5.162  -3.496  -3.496
 1314    HA   VAL  77           HA       VAL  77  -6.915  -3.296  -3.296
 1315    HB   VAL  77           HB       VAL  77  -4.420  -3.990  -3.990
 1316   1HG1  VAL  77          1HG1      VAL  77  -3.637  -1.832  -1.832
 1317   2HG1  VAL  77          3HG1      VAL  77  -4.102  -1.042  -1.042
 1318   3HG1  VAL  77          2HG1      VAL  77  -2.812  -2.244  -2.244
 1319   1HG2  VAL  77          1HG2      VAL  77  -5.561  -2.399  -2.399
 1320   2HG2  VAL  77          3HG2      VAL  77  -5.524  -4.153  -4.153
 1321   3HG2  VAL  77          2HG2      VAL  77  -4.029  -3.268  -3.268
 1322    H    ALA  78           H        ALA  78  -5.060  -0.761  -0.761
 1323    HA   ALA  78           HA       ALA  78  -5.952   1.428   1.428
 1324   1HB   ALA  78          2HB       ALA  78  -4.062   1.061   1.061
 1325   2HB   ALA  78          1HB       ALA  78  -5.293   1.863   1.863
 1326   3HB   ALA  78          3HB       ALA  78  -4.641   2.658   2.658
 1327    H    MET  79           H        MET  79  -7.063   0.176   0.176
 1328    HA   MET  79           HA       MET  79  -9.132   2.042   2.042
 1329   1HB   MET  79          2HB       MET  79  -8.110  -0.209  -0.209
 1330   2HB   MET  79          1HB       MET  79  -9.671  -0.808  -0.808
 1331   1HG   MET  79          2HG       MET  79  -9.159   1.556   1.556
 1332   2HG   MET  79          1HG       MET  79 -10.013   0.065   0.065
 1333   1HE   MET  79          1HE       MET  79 -11.877  -0.730  -0.730
 1334   2HE   MET  79          3HE       MET  79 -12.429  -0.374  -0.374
 1335   3HE   MET  79          2HE       MET  79 -13.336   0.224   0.224
 1336    H    ILE  80           H        ILE  80  -9.050  -0.809  -0.809
 1337    HA   ILE  80           HA       ILE  80 -11.899  -0.753  -0.753
 1338    HB   ILE  80           HB       ILE  80  -9.540  -1.858  -1.858
 1339   1HG1  ILE  80          2HG1      ILE  80  -9.737  -2.501  -2.501
 1340   2HG1  ILE  80          1HG1      ILE  80  -9.649  -3.815  -3.815
 1341   1HG2  ILE  80          2HG2      ILE  80 -11.742  -1.776  -1.776
 1342   2HG2  ILE  80          1HG2      ILE  80 -12.434  -2.757  -2.757
 1343   3HG2  ILE  80          3HG2      ILE  80 -11.166  -3.422  -3.422
 1344   1HD1  ILE  80          1HD1      ILE  80 -12.397  -3.029  -3.029
 1345   2HD1  ILE  80          3HD1      ILE  80 -11.682  -3.339  -3.339
 1346   3HD1  ILE  80          2HD1      ILE  80 -11.652  -4.590  -4.590
 1347    H    THR  81           H        THR  81  -9.072  -0.142  -0.142
 1348    HA   THR  81           HA       THR  81 -10.259   1.134   1.134
 1349    HB   THR  81           HB       THR  81  -7.719   2.243   2.243
 1350    HG1  THR  81           HG1      THR  81  -6.682   0.317   0.317
 1351   1HG2  THR  81          2HG2      THR  81  -8.745   2.506   2.506
 1352   2HG2  THR  81          1HG2      THR  81  -8.093   0.888   0.888
 1353   3HG2  THR  81          3HG2      THR  81  -7.008   2.220   2.220
 1354    H    THR  82           H        THR  82  -9.634   2.524   2.524
 1355    HA   THR  82           HA       THR  82 -10.044   5.291   5.291
 1356    HB   THR  82           HB       THR  82 -10.751   5.216   5.216
 1357    HG1  THR  82           HG1      THR  82 -10.973   3.010   3.010
 1358   1HG2  THR  82          3HG2      THR  82  -8.565   6.069   6.069
 1359   2HG2  THR  82          2HG2      THR  82  -7.936   4.442   4.442
 1360   3HG2  THR  82          1HG2      THR  82  -8.449   5.448   5.448
 1361    H    ALA  83           H        ALA  83 -12.249   2.632   2.632
 1362    HA   ALA  83           HA       ALA  83 -14.563   4.424   4.424
 1363   1HB   ALA  83          2HB       ALA  83 -14.059   1.457   1.457
 1364   2HB   ALA  83          1HB       ALA  83 -15.682   2.133   2.133
 1365   3HB   ALA  83          3HB       ALA  83 -14.453   2.544   2.544
 1366    H    CYS  84           H        CYS  84 -13.042   3.455   3.455
 1367    HA   CYS  84           HA       CYS  84 -15.523   2.663   2.663
 1368   1HB   CYS  84          2HB       CYS  84 -12.744   2.227   2.227
 1369   2HB   CYS  84          1HB       CYS  84 -13.255   3.136   3.136
 1370    HG   CYS  84           HG       CYS  84 -14.583   1.201   1.201
 1371    H    HIS  85           H        HIS  85 -13.070   4.892   4.892
 1372    HA   HIS  85           HA       HIS  85 -14.797   7.235   7.235
 1373   1HB   HIS  85          2HB       HIS  85 -14.888   5.269   5.269
 1374   2HB   HIS  85          1HB       HIS  85 -14.673   6.937   6.937
 1375    HD1  HIS  85           HD1      HIS  85 -17.335   4.808   4.808
 1376    HD2  HIS  85           HD2      HIS  85 -16.652   8.524   8.524
 1377    HE1  HIS  85           HE1      HIS  85 -19.608   5.731   5.731
 1378    H    GLU  86           H        GLU  86 -13.758   8.606   8.606
 1379    HA   GLU  86           HA       GLU  86 -11.832   9.958   9.958
 1380   1HB   GLU  86          2HB       GLU  86 -10.731   7.127   7.127
 1381   2HB   GLU  86          1HB       GLU  86 -10.045   8.540   8.540
 1382   1HG   GLU  86          2HG       GLU  86 -12.732   7.250   7.250
 1383   2HG   GLU  86          1HG       GLU  86 -11.361   7.369   7.369
 1384    H    PHE  87           H        PHE  87  -9.061   9.362   9.362
 1385    HA   PHE  87           HA       PHE  87  -8.988  10.238  10.238
 1386   1HB   PHE  87          2HB       PHE  87  -7.139  10.259  10.259
 1387   2HB   PHE  87          1HB       PHE  87  -6.750   8.659   8.659
 1388    HD1  PHE  87           HD1      PHE  87  -6.559   8.458   8.458
 1389    HD2  PHE  87           HD2      PHE  87  -6.221  12.115  12.115
 1390    HE1  PHE  87           HE1      PHE  87  -5.806   9.550   9.550
 1391    HE2  PHE  87           HE2      PHE  87  -5.334  13.213  13.213
 1392    HZ   PHE  87           HZ       PHE  87  -5.160  11.943  11.943
 1393    H    PHE  88           H        PHE  88  -7.880   7.085   7.085
 1394    HA   PHE  88           HA       PHE  88  -8.528   5.807   5.807
 1395   1HB   PHE  88          2HB       PHE  88  -6.925   5.306   5.306
 1396   2HB   PHE  88          1HB       PHE  88  -7.491   3.909   3.909
 1397    HD1  PHE  88           HD1      PHE  88  -5.736   7.139   7.139
 1398    HD2  PHE  88           HD2      PHE  88  -6.272   3.066   3.066
 1399    HE1  PHE  88           HE1      PHE  88  -3.904   7.389   7.389
 1400    HE2  PHE  88           HE2      PHE  88  -4.443   3.309   3.309
 1401    HZ   PHE  88           HZ       PHE  88  -3.254   5.474   5.474
 1402    H    GLU  89           H        GLU  89  -8.690   3.962   3.962
 1403    HA   GLU  89           HA       GLU  89 -11.671   3.925   3.925
 1404   1HB   GLU  89          2HB       GLU  89 -11.008   1.895   1.895
 1405   2HB   GLU  89          1HB       GLU  89  -9.670   1.657   1.657
 1406   1HG   GLU  89          2HG       GLU  89 -12.407   1.789   1.789
 1407   2HG   GLU  89          1HG       GLU  89 -12.006   0.345   0.345
 1408    H    HIS  90           H        HIS  90 -12.144   4.978   4.978
 1409    HA   HIS  90           HA       HIS  90 -12.017   5.545   5.545
 1410   1HB   HIS  90          2HB       HIS  90 -12.257   2.648   2.648
 1411   2HB   HIS  90          1HB       HIS  90 -11.701   3.061   3.061
 1412    HD1  HIS  90           HD1      HIS  90 -13.273   4.668   4.668
 1413    HD2  HIS  90           HD2      HIS  90 -14.955   3.245   3.245
 1414    HE1  HIS  90           HE1      HIS  90 -15.760   5.121   5.121
 1415    H    GLU  91           H        GLU  91  -9.618   6.253   6.253
 1416    HA   GLU  91           HA       GLU  91  -7.259   4.936   4.936
 1417   1HB   GLU  91          2HB       GLU  91  -6.297   7.130   7.130
 1418   2HB   GLU  91          1HB       GLU  91  -7.681   7.216   7.216
 1419   1HG   GLU  91          2HG       GLU  91  -8.501   8.896   8.896
 1420   2HG   GLU  91          1HG       GLU  91  -8.681   7.759   7.759