*HEADER    SIGNALING PROTEIN                       27-MAY-08   2K42              
*TITLE     SOLUTION STRUCTURE OF THE GTPASE BINDING DOMAIN OF WASP IN            
*TITLE    2 COMPLEX WITH ESPFU, AN EHEC EFFECTOR                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WISKOTT-ALDRICH SYNDROME PROTEIN;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CRIB DOMAIN, UNP RESIDUES 242-310;                         
*COMPND   5 SYNONYM: WASP;                                                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: ESPFU;                                                     
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: UNP RESIDUES 268-300;                                      
*COMPND  11 SYNONYM: TIR-CYTOSKELETON COUPLING PROTEIN;                          
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: WAS, IMD2;                                                     
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PGEX;                                      
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7;                       
*SOURCE  10 GENE: TCCP, ECS2715;                                                 
*SOURCE  11 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  12 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE  13 EXPRESSION_SYSTEM_VECTOR: PGEX                                       
*KEYWDS    WASP, ESPFU, GBD, AUTOINHIBITION, CYTOPLASM, CYTOSKELETON,            
*KEYWDS   2 DISEASE MUTATION, PHOSPHOPROTEIN, SIGNALING PROTEIN                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.-C.CHENG, B.M.SKEHAN, K.G.CAMPELLONE, J.M.LEONG, M.K.ROSEN          
*REVDAT   1   22-JUL-08 2K42    0                                                


assign (segid "BBBB" and resid   90 and name  HE1) (segid "AAAA" and resid   55 and name  HB1) 5.519 3.807 3.807 weight 1.000 ! spec=2dnoesy, no=1, id=1048, vol=1.126000e+00
    or (segid "BBBB" and resid   90 and name  HE1) (segid "BBBB" and resid   89 and name  HG1)
assign (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid   12 and name HG22) 4.886 2.984 2.984 weight 1.000 ! spec=2dnoesy, no=6, id=1053, vol=2.338000e+00
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid    9 and name HG22) 3.853 1.856 1.856 weight 1.000 ! spec=2dnoesy, no=7, id=1054, vol=9.716000e+00
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid    9 and name HG21)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid    9 and name HG23)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid    9 and name HG12)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid    9 and name HG13)
assign (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid    9 and name   HA) 5.932 4.399 4.399 weight 1.000 ! spec=2dnoesy, no=8, id=1055, vol=7.300000e-01
    or (segid "AAAA" and resid   11 and name  HE1) (segid "AAAA" and resid   13 and name  HA1)
assign (segid "BBBB" and resid   86 and name  HE1) (segid "BBBB" and resid   86 and name  HB2) 4.520 2.553 2.553 weight 1.000 ! spec=2dnoesy, no=13, id=1060, vol=3.732000e+00
    or (segid "BBBB" and resid   86 and name  HE1) (segid "BBBB" and resid   86 and name  HB1)
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   59 and name  HG2) 5.617 3.944 3.944 weight 1.000 ! spec=2dnoesy, no=18, id=1065, vol=1.013000e+00
    or (segid "BBBB" and resid   86 and name  HE1) (segid "BBBB" and resid   83 and name  HB2)
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   53 and name  HB2)
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   57 and name  HB2)
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name HD12) 4.063 2.064 2.064 weight 1.000 ! spec=2dnoesy, no=21, id=1068, vol=7.068000e+00
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name HD13)
    or (segid "BBBB" and resid   86 and name  HE1) (segid "BBBB" and resid   87 and name HD12)
    or (segid "BBBB" and resid   86 and name  HE1) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   86 and name  HE1) (segid "BBBB" and resid   87 and name HD13)
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   38 and name HG12) 6.437 5.180 5.180 weight 1.000 ! spec=2dnoesy, no=23, id=1070, vol=4.470000e-01
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   50 and name  HG1)
assign (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   10 and name  HB2) 5.381 3.620 3.620 weight 1.000 ! spec=2dnoesy, no=24, id=1071, vol=1.310000e+00
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   10 and name  HB1)
assign (segid "BBBB" and resid  101 and name  HE1) (segid "BBBB" and resid  101 and name  HB1) 5.016 3.145 3.145 weight 1.000 ! spec=2dnoesy, no=25, id=1072, vol=1.998000e+00
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    8 and name  HB2)
    or (segid "BBBB" and resid  101 and name  HE1) (segid "BBBB" and resid  101 and name  HB2)
assign (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    9 and name HG22) 4.337 2.351 2.351 weight 1.000 ! spec=2dnoesy, no=27, id=1074, vol=4.779000e+00
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    9 and name HG21)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    9 and name HG23)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    9 and name HG12)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    9 and name HG13)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   62 and name HD22)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid   62 and name HD13)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   14 and name  HE3) 4.067 2.068 2.068 weight 1.000 ! spec=2dnoesy, no=31, id=1078, vol=7.026000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   14 and name  HE3)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   53 and name  HD1)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   53 and name  HD2)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   53 and name  HD1)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "BBBB" and resid  108 and name  HE3) (segid "BBBB" and resid  106 and name   HA) 4.628 2.678 2.678 weight 1.000 ! spec=2dnoesy, no=37, id=1084, vol=3.236000e+00
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name   HA)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   10 and name  HB2) 5.262 3.462 3.462 weight 1.000 ! spec=2dnoesy, no=41, id=1088, vol=1.498000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   10 and name  HB2)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   32 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   32 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   55 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   55 and name   HA)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   40 and name   HA) 4.015 2.015 2.015 weight 1.000 ! spec=2dnoesy, no=42, id=1089, vol=7.591000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   40 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   53 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   53 and name   HA)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   22 and name   HA) 4.313 2.326 2.326 weight 1.000 ! spec=2dnoesy, no=43, id=1090, vol=4.940000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   22 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   50 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   50 and name   HA)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   30 and name   HA) 5.621 3.949 3.949 weight 1.000 ! spec=2dnoesy, no=44, id=1091, vol=1.009000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   50 and name   HA)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   50 and name   HA)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   43 and name  HB1) 2.894 1.047 1.047 weight 1.000 ! spec=2dnoesy, no=48, id=1095, vol=5.410000e+01
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   43 and name  HB1)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name   HB)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name   HB)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   43 and name  HB2) 2.888 1.042 1.042 weight 1.000 ! spec=2dnoesy, no=49, id=1096, vol=5.487000e+01
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   43 and name  HB2)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   44 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   44 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   44 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   44 and name HG23)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name HG22) 3.144 1.236 1.236 weight 1.000 ! spec=2dnoesy, no=50, id=1097, vol=3.291700e+01
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   25 and name HD22) 2.705 0.915 0.915 weight 1.000 ! spec=2dnoesy, no=51, id=1098, vol=8.112400e+01
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   25 and name HD22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   56 and name HD13)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   83 and name HD22) 4.138 2.140 2.140 weight 1.000 ! spec=2dnoesy, no=54, id=1101, vol=6.338000e+00
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   92 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   92 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   92 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   92 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   92 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   92 and name HG23)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   38 and name HG22) 2.969 1.102 1.102 weight 1.000 ! spec=2dnoesy, no=55, id=1102, vol=4.640600e+01
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   38 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   43 and name HD13)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   51 and name   HA) 4.473 2.501 2.501 weight 1.000 ! spec=2dnoesy, no=67, id=1114, vol=3.970000e+00
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   51 and name   HA)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   12 and name   HA)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   12 and name HG22) 2.556 0.816 0.816 weight 1.000 ! spec=2dnoesy, no=75, id=1122, vol=1.142120e+02
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   20 and name  HE1)
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   20 and name  HE2)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   20 and name  HE1)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   20 and name  HE2)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   20 and name  HE1)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   20 and name  HE2)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   52 and name HG11) 3.313 1.372 1.372 weight 1.000 ! spec=2dnoesy, no=79, id=1126, vol=2.404300e+01
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   52 and name HG11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   38 and name HG22) 3.119 1.216 1.216 weight 1.000 ! spec=2dnoesy, no=80, id=1127, vol=3.453400e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   38 and name HG22)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "BBBB" and resid   87 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   29 and name HD12) 3.153 1.242 1.242 weight 1.000 ! spec=2dnoesy, no=81, id=1128, vol=3.240800e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   38 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   14 and name  HE3) 5.365 3.598 3.598 weight 1.000 ! spec=2dnoesy, no=85, id=1132, vol=1.334000e+00
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   14 and name  HE3)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   53 and name  HD1)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   53 and name  HD2)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   53 and name  HD1)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    9 and name HG22) 4.471 2.499 2.499 weight 1.000 ! spec=2dnoesy, no=89, id=1136, vol=3.982000e+00
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    9 and name HG21)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    9 and name HG23)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    9 and name HG22)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    9 and name HG21)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    9 and name HG23)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    9 and name HG12)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    9 and name HG13)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    9 and name HG12)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    9 and name HG13)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   62 and name HD22)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   62 and name HD22)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid   62 and name HD13)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid   62 and name HD13)
assign (segid "AAAA" and resid    6 and name  HD1) (segid "AAAA" and resid    7 and name  HG2) 4.896 2.997 2.997 weight 1.000 ! spec=2dnoesy, no=93, id=1140, vol=2.309000e+00
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    7 and name  HG2)
    or (segid "AAAA" and resid    6 and name  HD1) (segid "AAAA" and resid    7 and name  HG1)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    7 and name  HG1)
assign (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid   10 and name  HB2) 7.498 7.028 7.028 weight 1.000 ! spec=2dnoesy, no=94, id=1141, vol=1.790000e-01
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid   10 and name  HB1)
assign (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid   62 and name HD12) 6.295 4.954 4.954 weight 1.000 ! spec=2dnoesy, no=100, id=1147, vol=5.110000e-01
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid   62 and name HD13)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    9 and name HG22)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    9 and name HG21)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    9 and name HG23)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    9 and name HG12)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    9 and name HG13)
assign (segid "AAAA" and resid   14 and name  HZ2) (segid "AAAA" and resid   15 and name   HA) 4.077 2.078 2.078 weight 1.000 ! spec=2dnoesy, no=101, id=1148, vol=6.922000e+00
    or (segid "AAAA" and resid   14 and name  HZ2) (segid "AAAA" and resid   47 and name   HA)
assign (segid "AAAA" and resid   14 and name  HZ2) (segid "AAAA" and resid   50 and name  HD1) 2.691 0.905 0.905 weight 1.000 ! spec=2dnoesy, no=104, id=1151, vol=8.384600e+01
    or (segid "AAAA" and resid   14 and name  HZ2) (segid "AAAA" and resid   50 and name  HG2)
assign (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   14 and name  HE3) 4.164 2.167 2.167 weight 1.000 ! spec=2dnoesy, no=108, id=1155, vol=6.104000e+00
    or (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   14 and name  HZ3)
assign (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name   HA) 4.370 2.387 2.387 weight 1.000 ! spec=2dnoesy, no=109, id=1156, vol=4.568000e+00
    or (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   15 and name   HA)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name   HA) 3.454 1.492 1.492 weight 1.000 ! spec=2dnoesy, no=110, id=1157, vol=1.872600e+01
    or (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   88 and name   HA)
assign (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   14 and name  HB1) 5.347 3.574 3.574 weight 1.000 ! spec=2dnoesy, no=115, id=1162, vol=1.361000e+00
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   58 and name  HB1)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   54 and name  HB1)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   36 and name  HB2) 3.784 1.790 1.790 weight 1.000 ! spec=2dnoesy, no=117, id=1164, vol=1.083000e+01
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   36 and name  HB3)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   87 and name  HB2)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   32 and name   HG) 4.424 2.447 2.447 weight 1.000 ! spec=2dnoesy, no=119, id=1166, vol=4.243000e+00
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   64 and name  HB2)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   64 and name  HB1)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   64 and name  HB3)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   59 and name  HG1) 2.900 1.051 1.051 weight 1.000 ! spec=2dnoesy, no=120, id=1167, vol=5.352500e+01
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name   HG)
assign (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name  HB2) 2.790 0.973 0.973 weight 1.000 ! spec=2dnoesy, no=121, id=1168, vol=6.750600e+01
    or (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   92 and name HG11)
    or (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   12 and name HG23)
assign (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   86 and name  HD2) 4.191 2.195 2.195 weight 1.000 ! spec=2dnoesy, no=124, id=1171, vol=5.874000e+00
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   59 and name HE21)
assign (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   86 and name   HA) 3.463 1.499 1.499 weight 1.000 ! spec=2dnoesy, no=125, id=1172, vol=1.844300e+01
    or (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   90 and name   HA)
assign (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   89 and name   HA) 4.348 2.364 2.364 weight 1.000 ! spec=2dnoesy, no=126, id=1173, vol=4.706000e+00
    or (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   13 and name  HA2)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   65 and name HG12) 3.269 1.336 1.336 weight 1.000 ! spec=2dnoesy, no=128, id=1175, vol=2.606300e+01
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   65 and name HG13)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name HD23)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   32 and name HD12) 2.841 1.009 1.009 weight 1.000 ! spec=2dnoesy, no=129, id=1176, vol=6.050000e+01
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   32 and name HD13)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD12)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD13)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   29 and name HD12) 4.272 2.281 2.281 weight 1.000 ! spec=2dnoesy, no=130, id=1177, vol=5.234000e+00
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name HD12) 2.914 1.061 1.061 weight 1.000 ! spec=2dnoesy, no=131, id=1178, vol=5.201100e+01
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name HD13)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD22)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD21)
    or (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD23)
assign (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid    7 and name   HA) 5.278 3.482 3.482 weight 1.000 ! spec=2dnoesy, no=134, id=1181, vol=1.472000e+00
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   51 and name   HA)
assign (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   10 and name  HB2) 4.338 2.353 2.353 weight 1.000 ! spec=2dnoesy, no=136, id=1183, vol=4.772000e+00
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   10 and name  HB1)
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   49 and name   HA) 4.195 2.200 2.200 weight 1.000 ! spec=2dnoesy, no=138, id=1185, vol=5.834000e+00
    or (segid "BBBB" and resid   74 and name  HD2) (segid "BBBB" and resid   81 and name   HA)
assign (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   12 and name HG22) 2.914 1.062 1.062 weight 1.000 ! spec=2dnoesy, no=144, id=1191, vol=5.193400e+01
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   56 and name HG22) 3.276 1.342 1.342 weight 1.000 ! spec=2dnoesy, no=147, id=1194, vol=2.571400e+01
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   52 and name HG11)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   29 and name HD12) 3.998 1.998 1.998 weight 1.000 ! spec=2dnoesy, no=148, id=1195, vol=7.789000e+00
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   20 and name   HZ) (segid "BBBB" and resid   83 and name HD12) 5.099 3.250 3.250 weight 1.000 ! spec=2dnoesy, no=150, id=1197, vol=1.810000e+00
    or (segid "AAAA" and resid   20 and name   HZ) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "BBBB" and resid   83 and name HD13)
    or (segid "BBBB" and resid   74 and name  HD2) (segid "BBBB" and resid   83 and name HD12)
    or (segid "BBBB" and resid   74 and name  HD2) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   74 and name  HD2) (segid "BBBB" and resid   83 and name HD13)
assign (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid  101 and name   HA) 5.062 3.203 3.203 weight 1.000 ! spec=2dnoesy, no=153, id=1199, vol=1.890000e+00
    or (segid "AAAA" and resid   23 and name HD22) (segid "AAAA" and resid   23 and name   HA)
assign (segid "BBBB" and resid  101 and name  HD2) (segid "AAAA" and resid   44 and name HG21) 4.234 2.241 2.241 weight 1.000 ! spec=2dnoesy, no=155, id=1201, vol=5.518000e+00
    or (segid "BBBB" and resid  101 and name  HD2) (segid "AAAA" and resid   44 and name HG22)
    or (segid "BBBB" and resid  101 and name  HD2) (segid "AAAA" and resid   44 and name HG23)
    or (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid   95 and name  HB2)
    or (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid   95 and name  HB1)
    or (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid   95 and name  HB3)
    or (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid  102 and name HG11)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   29 and name   HG) 4.006 2.006 2.006 weight 1.000 ! spec=2dnoesy, no=157, id=1203, vol=7.700000e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   29 and name   HG)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   80 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   80 and name  HB3)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   80 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   38 and name HD12) 3.831 1.835 1.835 weight 1.000 ! spec=2dnoesy, no=158, id=1204, vol=1.006300e+01
    or (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   38 and name HD13)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   38 and name HD13)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   59 and name   HA) 3.894 1.895 1.895 weight 1.000 ! spec=2dnoesy, no=162, id=1208, vol=9.126000e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   59 and name   HA)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   80 and name   HA)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   80 and name   HA)
assign (segid "AAAA" and resid   14 and name  HH2) (segid "AAAA" and resid   50 and name  HD1) 3.066 1.175 1.175 weight 1.000 ! spec=2dnoesy, no=179, id=1225, vol=3.833300e+01
    or (segid "AAAA" and resid   14 and name  HH2) (segid "AAAA" and resid   50 and name  HG2)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   43 and name   HA) 4.370 2.388 2.388 weight 1.000 ! spec=2dnoesy, no=184, id=1230, vol=4.565000e+00
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   43 and name   HA)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   80 and name   HA)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   80 and name   HA)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   32 and name   HA) 3.547 1.573 1.573 weight 1.000 ! spec=2dnoesy, no=185, id=1231, vol=1.597000e+01
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   32 and name   HA)
    or (segid "BBBB" and resid   85 and name HE22) (segid "BBBB" and resid   84 and name   HA)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   40 and name   HA) 4.536 2.572 2.572 weight 1.000 ! spec=2dnoesy, no=186, id=1232, vol=3.651000e+00
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   40 and name   HA)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   53 and name   HA)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   53 and name   HA)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   12 and name HG12) 3.769 1.776 1.776 weight 1.000 ! spec=2dnoesy, no=189, id=1234, vol=1.109700e+01
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   48 and name HG21)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   48 and name HG23)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   48 and name HG21)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   48 and name HG23)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   56 and name HG11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   56 and name HG11)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   32 and name HD12) 2.591 0.839 0.839 weight 1.000 ! spec=2dnoesy, no=205, id=1250, vol=1.050330e+02
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   32 and name HD12)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   52 and name HG11)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   52 and name HG11)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   57 and name   HA) 4.254 2.262 2.262 weight 1.000 ! spec=2dnoesy, no=210, id=1255, vol=5.365000e+00
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   57 and name   HA)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   57 and name   HA)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   57 and name   HA)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   79 and name   HA)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   79 and name   HA)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   87 and name   HA)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   87 and name   HA)
assign (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   12 and name   HA) 4.294 2.305 2.305 weight 1.000 ! spec=2dnoesy, no=212, id=1257, vol=5.073000e+00
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   15 and name   HA)
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   15 and name   HA)
assign (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid    9 and name   HA) 4.422 2.444 2.444 weight 1.000 ! spec=2dnoesy, no=213, id=1258, vol=4.254000e+00
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid    9 and name   HA)
    or (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   13 and name  HA1)
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   13 and name  HA1)
    or (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   15 and name   HA)
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   15 and name   HA)
assign (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   50 and name   HA) 4.143 2.146 2.146 weight 1.000 ! spec=2dnoesy, no=216, id=1261, vol=6.291000e+00
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   50 and name   HA)
    or (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   62 and name   HA)
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   62 and name   HA)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   32 and name   HA) 4.478 2.506 2.506 weight 1.000 ! spec=2dnoesy, no=217, id=1262, vol=3.946000e+00
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   32 and name   HA)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   55 and name   HA)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   55 and name   HA)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   43 and name   HA) 4.677 2.735 2.735 weight 1.000 ! spec=2dnoesy, no=219, id=1264, vol=3.038000e+00
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   43 and name   HA)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   80 and name   HA)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   80 and name   HA)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   22 and name   HA) 3.696 1.707 1.707 weight 1.000 ! spec=2dnoesy, no=220, id=1265, vol=1.248100e+01
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   22 and name   HA)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   30 and name   HA)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   12 and name HG12) 2.982 1.111 1.111 weight 1.000 ! spec=2dnoesy, no=221, id=1266, vol=4.527300e+01
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   56 and name HG11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   56 and name HG11)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   25 and name HD22) 2.210 0.611 0.611 weight 1.000 ! spec=2dnoesy, no=222, id=1267, vol=2.729570e+02
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   25 and name HD22)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   56 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   29 and name HD12) 2.515 0.791 0.791 weight 1.000 ! spec=2dnoesy, no=228, id=1273, vol=1.255940e+02
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   38 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   14 and name  HZ3) (segid "AAAA" and resid   16 and name  HD2) 3.124 1.220 1.220 weight 1.000 ! spec=2dnoesy, no=232, id=1277, vol=3.422200e+01
    or (segid "AAAA" and resid   14 and name  HE3) (segid "AAAA" and resid   16 and name  HD2)
assign (segid "AAAA" and resid   14 and name  HE3) (segid "AAAA" and resid   43 and name HD12) 4.700 2.762 2.762 weight 1.000 ! spec=2dnoesy, no=233, id=1278, vol=2.950000e+00
    or (segid "AAAA" and resid   14 and name  HE3) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   14 and name  HE3) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   14 and name  HE3) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   14 and name  HE3) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   14 and name  HE3) (segid "BBBB" and resid   87 and name HD13)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   38 and name HG22)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   38 and name HG22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   87 and name HD22)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   87 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   87 and name HD23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   87 and name HD22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   87 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   87 and name HD23)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   87 and name HD13)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   10 and name  HB2) 4.691 2.750 2.750 weight 1.000 ! spec=2dnoesy, no=236, id=1281, vol=2.986000e+00
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   10 and name  HB2)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   55 and name   HA)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   55 and name   HA)
assign (segid "AAAA" and resid   14 and name  HE3) (segid "AAAA" and resid   50 and name  HG2) 3.270 1.337 1.337 weight 1.000 ! spec=2dnoesy, no=239, id=1284, vol=2.600800e+01
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   50 and name  HG2)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   50 and name  HG2)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   62 and name   HG)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   62 and name   HG)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   29 and name HD22) 2.776 0.963 0.963 weight 1.000 ! spec=2dnoesy, no=242, id=1287, vol=6.954600e+01
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   62 and name HD22)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   62 and name HD22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   62 and name HD13)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   62 and name HD13)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   12 and name HG12) 3.307 1.367 1.367 weight 1.000 ! spec=2dnoesy, no=247, id=1292, vol=2.433200e+01
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   56 and name HG11)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   32 and name HD12) 2.953 1.090 1.090 weight 1.000 ! spec=2dnoesy, no=251, id=1296, vol=4.801400e+01
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   56 and name HG23)
assign (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   84 and name   HA) 3.742 1.750 1.750 weight 1.000 ! spec=2dnoesy, no=259, id=1304, vol=1.159300e+01
    or (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   55 and name   HA)
assign (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   36 and name  HB2) 4.471 2.499 2.499 weight 1.000 ! spec=2dnoesy, no=264, id=1309, vol=3.980000e+00
    or (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   36 and name  HB3)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name  HB2)
assign (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name HD22) 2.533 0.802 0.802 weight 1.000 ! spec=2dnoesy, no=266, id=1311, vol=1.203520e+02
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name HD21)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name HD23)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name HD12)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   13 and name  HA2) 4.935 3.044 3.044 weight 1.000 ! spec=2dnoesy, no=272, id=1317, vol=2.202000e+00
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   43 and name   HA)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   43 and name  HB1) 4.682 2.740 2.740 weight 1.000 ! spec=2dnoesy, no=277, id=1322, vol=3.019000e+00
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   52 and name   HB)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   12 and name HG22) 4.353 2.368 2.368 weight 1.000 ! spec=2dnoesy, no=279, id=1324, vol=4.679000e+00
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   22 and name HG12) 5.651 3.992 3.992 weight 1.000 ! spec=2dnoesy, no=280, id=1325, vol=9.770000e-01
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   22 and name HG11)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   22 and name HG13)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   25 and name HD22)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   25 and name HD12) 6.437 5.180 5.180 weight 1.000 ! spec=2dnoesy, no=281, id=1326, vol=4.470000e-01
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   25 and name HD13)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   62 and name HD22)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   62 and name HD23)
assign (segid "AAAA" and resid    8 and name  HE1) (segid "AAAA" and resid    8 and name  HB1) 5.118 3.274 3.274 weight 1.000 ! spec=2dnoesy, no=284, id=1329, vol=1.770000e+00
    or (segid "BBBB" and resid  101 and name  HE1) (segid "BBBB" and resid  101 and name  HB2)
    or (segid "BBBB" and resid  101 and name  HE1) (segid "BBBB" and resid  101 and name  HB1)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name HG11) 3.747 1.755 1.755 weight 1.000 ! spec=2dnoesy, no=285, id=1330, vol=1.149400e+01
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name HG11)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   87 and name HD22)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   87 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "BBBB" and resid   87 and name HD23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   87 and name HD22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   87 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "BBBB" and resid   87 and name HD23)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   65 and name HG12) 4.643 2.694 2.694 weight 1.000 ! spec=2dnoesy, no=289, id=1334, vol=3.177000e+00
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   65 and name HG13)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   65 and name HG12)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   65 and name HG13)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "BBBB" and resid   83 and name HD23)
assign (segid "BBBB" and resid   86 and name  HB2) (segid "BBBB" and resid   83 and name   HA) 2.648 0.877 0.877 weight 1.000 ! spec=cc4dnoesy, no=6, id=6, vol=2.060180e+01
    or (segid "BBBB" and resid   86 and name  HB1) (segid "BBBB" and resid   83 and name   HA)
assign (segid "BBBB" and resid   76 and name   HA) (segid "BBBB" and resid   77 and name  HD2) 1.988 0.494 0.494 weight 1.000 ! spec=cc4dnoesy, no=10, id=10, vol=1.151806e+02
    or (segid "BBBB" and resid   93 and name   HA) (segid "BBBB" and resid   94 and name  HD2)
assign (segid "BBBB" and resid   93 and name   HA) (segid "BBBB" and resid   93 and name  HG1) 2.434 0.741 0.741 weight 1.000 ! spec=cc4dnoesy, no=24, id=24, vol=3.416700e+01
    or (segid "BBBB" and resid   93 and name   HA) (segid "BBBB" and resid   93 and name  HG2)
assign (segid "AAAA" and resid   35 and name  HB2) (segid "BBBB" and resid   80 and name  HB2) 2.493 0.777 0.777 weight 1.000 ! spec=cc4dnoesy, no=36, id=34, vol=2.961410e+01
    or (segid "AAAA" and resid   35 and name  HB2) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HB2) (segid "BBBB" and resid   80 and name  HB3)
    or (segid "AAAA" and resid   35 and name  HB1) (segid "BBBB" and resid   80 and name  HB2)
    or (segid "AAAA" and resid   35 and name  HB1) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HB1) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "AAAA" and resid   66 and name  HB2) (segid "AAAA" and resid   66 and name   HA) 2.345 0.687 0.687 weight 1.000 ! spec=cc4dnoesy, no=52, id=50, vol=4.274420e+01
    or (segid "AAAA" and resid   30 and name  HB2) (segid "AAAA" and resid   30 and name   HA)
assign (segid "BBBB" and resid   93 and name  HB1) (segid "BBBB" and resid   93 and name  HG2) 1.959 0.480 0.480 weight 1.000 ! spec=cc4dnoesy, no=72, id=70, vol=1.255445e+02
    or (segid "BBBB" and resid   93 and name  HB1) (segid "BBBB" and resid   93 and name  HG1)
assign (segid "BBBB" and resid   77 and name  HD1) (segid "BBBB" and resid   76 and name  HB2) 2.954 1.091 1.091 weight 1.000 ! spec=cc4dnoesy, no=77, id=75, vol=1.069230e+01
    or (segid "BBBB" and resid   77 and name  HD1) (segid "BBBB" and resid   76 and name  HB1)
assign (segid "BBBB" and resid   77 and name  HD2) (segid "BBBB" and resid   76 and name  HB2) 2.519 0.793 0.793 weight 1.000 ! spec=cc4dnoesy, no=78, id=76, vol=2.780570e+01
    or (segid "BBBB" and resid   77 and name  HD2) (segid "BBBB" and resid   76 and name  HB1)
assign (segid "BBBB" and resid  106 and name  HD1) (segid "BBBB" and resid  106 and name  HG2) 2.196 0.603 0.603 weight 1.000 ! spec=cc4dnoesy, no=90, id=88, vol=6.344560e+01
    or (segid "BBBB" and resid  106 and name  HD1) (segid "BBBB" and resid  106 and name  HG1)
assign (segid "AAAA" and resid   16 and name  HD1) (segid "AAAA" and resid   16 and name  HG2) 2.272 0.645 0.645 weight 1.000 ! spec=cc4dnoesy, no=92, id=90, vol=5.161070e+01
    or (segid "AAAA" and resid   16 and name  HD1) (segid "AAAA" and resid   16 and name  HG1)
assign (segid "AAAA" and resid   16 and name  HD2) (segid "AAAA" and resid   16 and name  HG2) 2.297 0.659 0.659 weight 1.000 ! spec=cc4dnoesy, no=93, id=91, vol=4.841200e+01
    or (segid "AAAA" and resid   16 and name  HD2) (segid "AAAA" and resid   16 and name  HG1)
assign (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name HD12) 2.011 0.505 0.505 weight 1.000 ! spec=cc4dnoesy, no=118, id=115, vol=1.075101e+02
    or (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   87 and name HD22)
    or (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   87 and name HD21)
    or (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   87 and name HD23)
assign (segid "AAAA" and resid   35 and name  HG2) (segid "AAAA" and resid   35 and name  HD2) 2.028 0.514 0.514 weight 1.000 ! spec=cc4dnoesy, no=121, id=118, vol=1.021740e+02
    or (segid "AAAA" and resid   35 and name  HG2) (segid "AAAA" and resid   35 and name  HD1)
assign (segid "BBBB" and resid   77 and name  HG2) (segid "BBBB" and resid   77 and name   HA) 2.605 0.848 0.848 weight 1.000 ! spec=cc4dnoesy, no=123, id=120, vol=2.275480e+01
    or (segid "BBBB" and resid   77 and name  HG1) (segid "BBBB" and resid   77 and name   HA)
assign (segid "BBBB" and resid  106 and name  HD2) (segid "BBBB" and resid  106 and name  HG2) 2.343 0.686 0.686 weight 1.000 ! spec=cc4dnoesy, no=133, id=130, vol=4.300430e+01
    or (segid "BBBB" and resid  106 and name  HD2) (segid "BBBB" and resid  106 and name  HG1)
assign (segid "AAAA" and resid   71 and name  HG2) (segid "AAAA" and resid   71 and name   HA) 2.178 0.593 0.593 weight 1.000 ! spec=cc4dnoesy, no=147, id=144, vol=6.656600e+01
    or (segid "AAAA" and resid   71 and name  HG1) (segid "AAAA" and resid   71 and name   HA)
assign (segid "AAAA" and resid   15 and name   HA) (segid "AAAA" and resid   16 and name  HG2) 2.925 1.069 1.069 weight 1.000 ! spec=cc4dnoesy, no=149, id=146, vol=1.134940e+01
    or (segid "AAAA" and resid   15 and name   HA) (segid "AAAA" and resid   16 and name  HG1)
assign (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD22) 2.282 0.651 0.651 weight 1.000 ! spec=cc4dnoesy, no=180, id=176, vol=5.025860e+01
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD12)
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   43 and name HD22) 3.405 1.450 1.450 weight 1.000 ! spec=cc4dnoesy, no=255, id=250, vol=4.556900e+00
    or (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   40 and name  HB1) 2.728 0.931 0.931 weight 1.000 ! spec=cc4dnoesy, no=289, id=284, vol=1.722580e+01
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   40 and name  HB1)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   40 and name  HB1)
    or (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   40 and name  HB2)
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   40 and name  HB2)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   40 and name  HB2)
assign (segid "BBBB" and resid   87 and name HD22) (segid "AAAA" and resid   48 and name HG21) 2.594 0.841 0.841 weight 1.000 ! spec=cc4dnoesy, no=293, id=288, vol=2.333520e+01
    or (segid "BBBB" and resid   87 and name HD22) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   87 and name HD22) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   87 and name HD23) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   87 and name HD23) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   87 and name HD23) (segid "AAAA" and resid   48 and name HG23)
    or (segid "AAAA" and resid   32 and name HD12) (segid "BBBB" and resid   79 and name HG22)
    or (segid "AAAA" and resid   32 and name HD12) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   32 and name HD12) (segid "BBBB" and resid   79 and name HG23)
    or (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG22)
    or (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG23)
    or (segid "AAAA" and resid   32 and name HD13) (segid "BBBB" and resid   79 and name HG22)
    or (segid "AAAA" and resid   32 and name HD13) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   32 and name HD13) (segid "BBBB" and resid   79 and name HG23)
assign (segid "AAAA" and resid   48 and name HG21) (segid "AAAA" and resid   42 and name  HG2) 2.538 0.805 0.805 weight 1.000 ! spec=cc4dnoesy, no=308, id=303, vol=2.661690e+01
    or (segid "AAAA" and resid   48 and name HG22) (segid "AAAA" and resid   42 and name  HG2)
    or (segid "AAAA" and resid   48 and name HG23) (segid "AAAA" and resid   42 and name  HG2)
    or (segid "BBBB" and resid   79 and name HG22) (segid "AAAA" and resid   68 and name  HG2)
    or (segid "BBBB" and resid   79 and name HG21) (segid "AAAA" and resid   68 and name  HG2)
    or (segid "BBBB" and resid   79 and name HG23) (segid "AAAA" and resid   68 and name  HG2)
    or (segid "BBBB" and resid   79 and name HG22) (segid "AAAA" and resid   68 and name  HG1)
    or (segid "BBBB" and resid   79 and name HG21) (segid "AAAA" and resid   68 and name  HG1)
    or (segid "BBBB" and resid   79 and name HG23) (segid "AAAA" and resid   68 and name  HG1)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   25 and name  HB1) 2.122 0.563 0.563 weight 1.000 ! spec=cc4dnoesy, no=319, id=314, vol=7.779420e+01
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   25 and name  HB1)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   25 and name  HB1)
    or (segid "AAAA" and resid   25 and name  HB1) (segid "AAAA" and resid   25 and name HD12)
    or (segid "AAAA" and resid   25 and name  HB1) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   25 and name  HB1) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   12 and name HG22) (segid "AAAA" and resid   10 and name  HB2) 2.832 1.003 1.003 weight 1.000 ! spec=cc4dnoesy, no=329, id=324, vol=1.376100e+01
    or (segid "AAAA" and resid   12 and name HG21) (segid "AAAA" and resid   10 and name  HB2)
    or (segid "AAAA" and resid   12 and name HG23) (segid "AAAA" and resid   10 and name  HB2)
    or (segid "AAAA" and resid   12 and name HG22) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   12 and name HG21) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   12 and name HG23) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   10 and name  HB1)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   10 and name  HB1)
assign (segid "AAAA" and resid   66 and name  HD1) (segid "AAAA" and resid   63 and name   HA) 2.679 0.897 0.897 weight 1.000 ! spec=cc4dnoesy, no=378, id=373, vol=1.923210e+01
    or (segid "AAAA" and resid   71 and name  HD2) (segid "AAAA" and resid   68 and name   HA)
assign (segid "AAAA" and resid   71 and name  HD2) (segid "AAAA" and resid   71 and name   HA) 3.151 1.241 1.241 weight 1.000 ! spec=cc4dnoesy, no=381, id=376, vol=7.256200e+00
    or (segid "AAAA" and resid   71 and name  HD1) (segid "AAAA" and resid   71 and name   HA)
assign (segid "AAAA" and resid   22 and name   HB) (segid "AAAA" and resid   22 and name HG22) 1.805 0.407 0.407 weight 1.000 ! spec=cc4dnoesy, no=392, id=387, vol=2.053490e+02
    or (segid "AAAA" and resid   22 and name   HB) (segid "AAAA" and resid   22 and name HG21)
    or (segid "AAAA" and resid   22 and name   HB) (segid "AAAA" and resid   22 and name HG23)
    or (segid "BBBB" and resid   79 and name   HB) (segid "BBBB" and resid   79 and name HG12)
    or (segid "BBBB" and resid   79 and name   HB) (segid "BBBB" and resid   79 and name HG11)
    or (segid "BBBB" and resid   79 and name   HB) (segid "BBBB" and resid   79 and name HG13)
assign (segid "AAAA" and resid    7 and name  HE2) (segid "AAAA" and resid    7 and name  HD2) 2.468 0.761 0.761 weight 1.000 ! spec=cc4dnoesy, no=412, id=407, vol=3.144600e+01
    or (segid "AAAA" and resid    7 and name  HE2) (segid "AAAA" and resid    7 and name  HD1)
    or (segid "AAAA" and resid    7 and name  HE1) (segid "AAAA" and resid    7 and name  HD1)
assign (segid "AAAA" and resid    7 and name  HE2) (segid "AAAA" and resid    7 and name  HG1) 2.600 0.845 0.845 weight 1.000 ! spec=cc4dnoesy, no=415, id=410, vol=2.300930e+01
    or (segid "AAAA" and resid    7 and name  HE1) (segid "AAAA" and resid    7 and name  HG2)
    or (segid "AAAA" and resid    7 and name  HE1) (segid "AAAA" and resid    7 and name  HG1)
assign (segid "AAAA" and resid   16 and name  HG2) (segid "AAAA" and resid   16 and name   HA) 2.613 0.853 0.853 weight 1.000 ! spec=cc4dnoesy, no=424, id=417, vol=2.233190e+01
    or (segid "AAAA" and resid   16 and name  HG1) (segid "AAAA" and resid   16 and name   HA)
assign (segid "BBBB" and resid  106 and name  HG2) (segid "BBBB" and resid  106 and name   HA) 3.311 1.370 1.370 weight 1.000 ! spec=cc4dnoesy, no=450, id=442, vol=5.397600e+00
    or (segid "BBBB" and resid  106 and name  HG1) (segid "BBBB" and resid  106 and name   HA)
assign (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   12 and name   HA) 2.549 0.812 0.812 weight 1.000 ! spec=cc4dnoesy, no=478, id=470, vol=2.588930e+01
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   62 and name HD12) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   62 and name HD11) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   62 and name HD13) (segid "AAAA" and resid   12 and name   HA)
assign (segid "AAAA" and resid   35 and name  HD2) (segid "BBBB" and resid   80 and name  HB2) 2.593 0.840 0.840 weight 1.000 ! spec=cc4dnoesy, no=495, id=485, vol=2.338430e+01
    or (segid "AAAA" and resid   35 and name  HD2) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HD2) (segid "BBBB" and resid   80 and name  HB3)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "BBBB" and resid   80 and name  HB2)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "BBBB" and resid  103 and name  HG1) (segid "BBBB" and resid  103 and name   HA) 2.989 1.117 1.117 weight 1.000 ! spec=cc4dnoesy, no=538, id=527, vol=9.966300e+00
    or (segid "BBBB" and resid  103 and name  HG2) (segid "BBBB" and resid  103 and name   HA)
assign (segid "AAAA" and resid   40 and name  HB2) (segid "AAAA" and resid   40 and name   HA) 2.063 0.532 0.532 weight 1.000 ! spec=cc4dnoesy, no=561, id=550, vol=9.212560e+01
    or (segid "AAAA" and resid   40 and name  HB1) (segid "AAAA" and resid   40 and name   HA)
assign (segid "AAAA" and resid   62 and name HD22) (segid "AAAA" and resid   56 and name HG22) 2.219 0.616 0.616 weight 1.000 ! spec=cc4dnoesy, no=600, id=589, vol=5.951900e+01
    or (segid "AAAA" and resid   62 and name HD22) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   62 and name HD22) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   62 and name HD21) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   62 and name HD21) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   62 and name HD21) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   62 and name HD23) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   62 and name HD23) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   62 and name HD23) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   65 and name HG22) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   65 and name HG22) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   65 and name HG22) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   65 and name HG21) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   65 and name HG21) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   65 and name HG21) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   65 and name HG23) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   65 and name HG23) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   65 and name HG23) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   12 and name HG22) 2.576 0.829 0.829 weight 1.000 ! spec=cc4dnoesy, no=602, id=591, vol=2.431920e+01
    or (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   35 and name  HD2) (segid "AAAA" and resid   69 and name  HE2) 2.678 0.896 0.896 weight 1.000 ! spec=cc4dnoesy, no=603, id=592, vol=1.928260e+01
    or (segid "AAAA" and resid   35 and name  HD2) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   35 and name  HD2) (segid "AAAA" and resid   69 and name  HE3)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "AAAA" and resid   69 and name  HE2)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "AAAA" and resid   69 and name  HE3)
assign (segid "BBBB" and resid   86 and name  HB2) (segid "BBBB" and resid   86 and name   HA) 2.346 0.688 0.688 weight 1.000 ! spec=cc4dnoesy, no=624, id=613, vol=4.263660e+01
    or (segid "BBBB" and resid   86 and name  HB1) (segid "BBBB" and resid   86 and name   HA)
assign (segid "AAAA" and resid   42 and name   HA) (segid "AAAA" and resid   45 and name  HB2) 2.998 1.123 1.123 weight 1.000 ! spec=cc4dnoesy, no=658, id=647, vol=9.794500e+00
    or (segid "AAAA" and resid   42 and name   HA) (segid "AAAA" and resid   45 and name  HB1)
assign (segid "AAAA" and resid   20 and name  HB2) (segid "AAAA" and resid   20 and name   HA) 2.389 0.713 0.713 weight 1.000 ! spec=cc4dnoesy, no=659, id=648, vol=3.825170e+01
    or (segid "AAAA" and resid   20 and name  HB1) (segid "AAAA" and resid   20 and name   HA)
assign (segid "AAAA" and resid   67 and name   HA) (segid "AAAA" and resid   70 and name  HD2) 2.723 0.927 0.927 weight 1.000 ! spec=cc4dnoesy, no=664, id=653, vol=1.741570e+01
    or (segid "AAAA" and resid   67 and name   HA) (segid "AAAA" and resid   70 and name  HD1)
assign (segid "AAAA" and resid   67 and name   HA) (segid "AAAA" and resid   67 and name  HB2) 1.855 0.430 0.430 weight 1.000 ! spec=cc4dnoesy, no=680, id=669, vol=1.742672e+02
    or (segid "AAAA" and resid   67 and name   HA) (segid "AAAA" and resid   67 and name  HB1)
assign (segid "AAAA" and resid   67 and name   HA) (segid "AAAA" and resid   67 and name  HG2) 2.245 0.630 0.630 weight 1.000 ! spec=cc4dnoesy, no=699, id=688, vol=5.548280e+01
    or (segid "AAAA" and resid   67 and name   HA) (segid "AAAA" and resid   67 and name  HG1)
assign (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG22) 2.764 0.955 0.955 weight 1.000 ! spec=cc4dnoesy, no=716, id=705, vol=1.594120e+01
    or (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   17 and name  HB2) (segid "AAAA" and resid   17 and name   HA) 1.807 0.408 0.408 weight 1.000 ! spec=cc4dnoesy, no=738, id=725, vol=2.038852e+02
    or (segid "AAAA" and resid   17 and name  HB1) (segid "AAAA" and resid   17 and name   HA)
assign (segid "AAAA" and resid   17 and name   HA) (segid "AAAA" and resid   17 and name  HG2) 2.234 0.624 0.624 weight 1.000 ! spec=cc4dnoesy, no=751, id=738, vol=5.723150e+01
    or (segid "AAAA" and resid   17 and name   HA) (segid "AAAA" and resid   17 and name  HG1)
assign (segid "AAAA" and resid   29 and name   HA) (segid "AAAA" and resid   32 and name  HB1) 2.356 0.694 0.694 weight 1.000 ! spec=cc4dnoesy, no=759, id=746, vol=4.151170e+01
    or (segid "AAAA" and resid   29 and name   HA) (segid "AAAA" and resid   29 and name  HB1)
assign (segid "BBBB" and resid   96 and name  HD2) (segid "BBBB" and resid   96 and name   HA) 2.405 0.723 0.723 weight 1.000 ! spec=cc4dnoesy, no=773, id=760, vol=3.670100e+01
    or (segid "BBBB" and resid   96 and name  HD1) (segid "BBBB" and resid   96 and name   HA)
assign (segid "AAAA" and resid    8 and name  HB1) (segid "AAAA" and resid    8 and name   HA) 1.857 0.431 0.431 weight 1.000 ! spec=cc4dnoesy, no=782, id=769, vol=1.731951e+02
    or (segid "BBBB" and resid  101 and name  HB2) (segid "BBBB" and resid  101 and name   HA)
    or (segid "BBBB" and resid  101 and name  HB1) (segid "BBBB" and resid  101 and name   HA)
assign (segid "BBBB" and resid   96 and name  HG2) (segid "BBBB" and resid   96 and name   HA) 2.242 0.628 0.628 weight 1.000 ! spec=cc4dnoesy, no=784, id=771, vol=5.602570e+01
    or (segid "BBBB" and resid   96 and name  HG1) (segid "BBBB" and resid   96 and name   HA)
assign (segid "AAAA" and resid    7 and name  HG2) (segid "AAAA" and resid    7 and name   HA) 2.621 0.859 0.859 weight 1.000 ! spec=cc4dnoesy, no=785, id=772, vol=2.189490e+01
    or (segid "AAAA" and resid    7 and name  HG1) (segid "AAAA" and resid    7 and name   HA)
assign (segid "BBBB" and resid   80 and name   HA) (segid "AAAA" and resid   32 and name HD12) 2.900 1.051 1.051 weight 1.000 ! spec=cc4dnoesy, no=789, id=776, vol=1.195130e+01
    or (segid "BBBB" and resid   80 and name   HA) (segid "AAAA" and resid   32 and name HD11)
    or (segid "BBBB" and resid   80 and name   HA) (segid "AAAA" and resid   32 and name HD13)
    or (segid "BBBB" and resid   83 and name HD22) (segid "BBBB" and resid   80 and name   HA)
    or (segid "BBBB" and resid   83 and name HD21) (segid "BBBB" and resid   80 and name   HA)
    or (segid "BBBB" and resid   83 and name HD23) (segid "BBBB" and resid   80 and name   HA)
assign (segid "AAAA" and resid    9 and name   HB) (segid "AAAA" and resid    9 and name HG22) 1.861 0.433 0.433 weight 1.000 ! spec=cc4dnoesy, no=796, id=783, vol=1.712496e+02
    or (segid "AAAA" and resid    9 and name   HB) (segid "AAAA" and resid    9 and name HG21)
    or (segid "AAAA" and resid    9 and name   HB) (segid "AAAA" and resid    9 and name HG23)
    or (segid "AAAA" and resid    9 and name   HB) (segid "AAAA" and resid    9 and name HG12)
    or (segid "AAAA" and resid    9 and name   HB) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid    9 and name   HB) (segid "AAAA" and resid    9 and name HG13)
assign (segid "AAAA" and resid   23 and name   HA) (segid "AAAA" and resid   23 and name  HB2) 2.020 0.510 0.510 weight 1.000 ! spec=cc4dnoesy, no=798, id=785, vol=1.044875e+02
    or (segid "AAAA" and resid   23 and name   HA) (segid "AAAA" and resid   23 and name  HB1)
assign (segid "AAAA" and resid   64 and name   HA) (segid "AAAA" and resid   67 and name  HB2) 2.374 0.704 0.704 weight 1.000 ! spec=cc4dnoesy, no=802, id=789, vol=3.970580e+01
    or (segid "AAAA" and resid   64 and name   HA) (segid "AAAA" and resid   67 and name  HB1)
assign (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   29 and name HD22) 3.038 1.153 1.153 weight 1.000 ! spec=cc4dnoesy, no=803, id=790, vol=9.043200e+00
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   62 and name HD13)
assign (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   12 and name HG22) 1.906 0.454 0.454 weight 1.000 ! spec=cc4dnoesy, no=808, id=795, vol=1.484441e+02
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   12 and name HG13)
assign (segid "BBBB" and resid   97 and name  HB1) (segid "BBBB" and resid   97 and name   HA) 2.174 0.591 0.591 weight 1.000 ! spec=cc4dnoesy, no=818, id=804, vol=6.740100e+01
    or (segid "BBBB" and resid  107 and name  HB2) (segid "BBBB" and resid  107 and name   HA)
assign (segid "BBBB" and resid   80 and name  HB2) (segid "BBBB" and resid   81 and name   HA) 2.661 0.885 0.885 weight 1.000 ! spec=cc4dnoesy, no=819, id=805, vol=1.999550e+01
    or (segid "BBBB" and resid   80 and name  HB1) (segid "BBBB" and resid   81 and name   HA)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "BBBB" and resid   81 and name   HA)
    or (segid "BBBB" and resid   80 and name  HB2) (segid "AAAA" and resid   35 and name   HA)
    or (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   35 and name   HA)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "AAAA" and resid   35 and name   HA)
assign (segid "BBBB" and resid  103 and name  HB2) (segid "BBBB" and resid  103 and name  HD1) 2.912 1.060 1.060 weight 1.000 ! spec=cc4dnoesy, no=834, id=818, vol=1.164910e+01
    or (segid "BBBB" and resid  103 and name  HB2) (segid "BBBB" and resid  104 and name  HD2)
assign (segid "AAAA" and resid   70 and name   HA) (segid "AAAA" and resid   70 and name  HB2) 1.895 0.449 0.449 weight 1.000 ! spec=cc4dnoesy, no=838, id=822, vol=1.533119e+02
    or (segid "BBBB" and resid   96 and name  HB1) (segid "BBBB" and resid   96 and name   HA)
assign (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG22) 2.096 0.549 0.549 weight 1.000 ! spec=cc4dnoesy, no=844, id=827, vol=8.388830e+01
    or (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG23)
    or (segid "BBBB" and resid   82 and name  HB2) (segid "BBBB" and resid   79 and name HG22)
    or (segid "BBBB" and resid   82 and name  HB2) (segid "BBBB" and resid   79 and name HG21)
    or (segid "BBBB" and resid   82 and name  HB2) (segid "BBBB" and resid   79 and name HG23)
assign (segid "AAAA" and resid   35 and name  HG2) (segid "AAAA" and resid   35 and name  HD2) 1.806 0.408 0.408 weight 1.000 ! spec=cc4dnoesy, no=853, id=836, vol=2.047481e+02
    or (segid "AAAA" and resid   35 and name  HG2) (segid "AAAA" and resid   35 and name  HD1)
    or (segid "AAAA" and resid   66 and name  HD2) (segid "AAAA" and resid   66 and name  HG2)
assign (segid "AAAA" and resid   30 and name  HG1) (segid "AAAA" and resid   30 and name   HA) 2.123 0.564 0.564 weight 1.000 ! spec=cc4dnoesy, no=856, id=839, vol=7.751560e+01
    or (segid "AAAA" and resid   66 and name  HG1) (segid "AAAA" and resid   66 and name   HA)
assign (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   51 and name  HB1) 2.423 0.734 0.734 weight 1.000 ! spec=cc4dnoesy, no=873, id=856, vol=3.507750e+01
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   51 and name  HB1)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   51 and name  HB1)
    or (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   43 and name  HB1)
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   43 and name  HB1)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   43 and name  HB1)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   30 and name   HA) 2.324 0.675 0.675 weight 1.000 ! spec=cc4dnoesy, no=880, id=863, vol=4.508860e+01
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   30 and name   HA)
assign (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   56 and name HG22) 2.942 1.082 1.082 weight 1.000 ! spec=cc4dnoesy, no=881, id=864, vol=1.096410e+01
    or (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   62 and name HD12) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   62 and name HD12) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   62 and name HD12) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   62 and name HD11) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   62 and name HD11) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   62 and name HD11) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   62 and name HD13) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   62 and name HD13) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   62 and name HD13) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   32 and name HD22) (segid "AAAA" and resid   29 and name   HA) 3.583 1.605 1.605 weight 1.000 ! spec=cc4dnoesy, no=887, id=870, vol=3.358200e+00
    or (segid "AAAA" and resid   32 and name HD21) (segid "AAAA" and resid   29 and name   HA)
    or (segid "AAAA" and resid   32 and name HD23) (segid "AAAA" and resid   29 and name   HA)
    or (segid "AAAA" and resid   65 and name HG22) (segid "AAAA" and resid   29 and name   HA)
    or (segid "AAAA" and resid   65 and name HG21) (segid "AAAA" and resid   29 and name   HA)
    or (segid "AAAA" and resid   65 and name HG23) (segid "AAAA" and resid   29 and name   HA)
assign (segid "BBBB" and resid   79 and name HG22) (segid "AAAA" and resid   68 and name  HG2) 2.730 0.932 0.932 weight 1.000 ! spec=cc4dnoesy, no=900, id=883, vol=1.716710e+01
    or (segid "BBBB" and resid   79 and name HG21) (segid "AAAA" and resid   68 and name  HG2)
    or (segid "BBBB" and resid   79 and name HG23) (segid "AAAA" and resid   68 and name  HG2)
    or (segid "BBBB" and resid   79 and name HG22) (segid "AAAA" and resid   68 and name  HG1)
    or (segid "BBBB" and resid   79 and name HG21) (segid "AAAA" and resid   68 and name  HG1)
    or (segid "BBBB" and resid   79 and name HG23) (segid "AAAA" and resid   68 and name  HG1)
assign (segid "BBBB" and resid   83 and name HD12) (segid "BBBB" and resid   86 and name  HB1) 2.929 1.072 1.072 weight 1.000 ! spec=cc4dnoesy, no=901, id=884, vol=1.125610e+01
    or (segid "BBBB" and resid   83 and name HD11) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "BBBB" and resid   83 and name HD13) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "BBBB" and resid   83 and name HD12) (segid "BBBB" and resid   86 and name  HB2)
    or (segid "BBBB" and resid   83 and name HD11) (segid "BBBB" and resid   86 and name  HB2)
    or (segid "BBBB" and resid   83 and name HD13) (segid "BBBB" and resid   86 and name  HB2)
assign (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   29 and name HD22) 2.129 0.566 0.566 weight 1.000 ! spec=cc4dnoesy, no=903, id=886, vol=7.639730e+01
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   62 and name HD13)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   62 and name HD13)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   62 and name HD13)
assign (segid "BBBB" and resid   76 and name   HA) (segid "BBBB" and resid   76 and name  HB2) 2.308 0.666 0.666 weight 1.000 ! spec=cc4dnoesy, no=922, id=905, vol=4.701250e+01
    or (segid "BBBB" and resid   76 and name   HA) (segid "BBBB" and resid   76 and name  HB1)
assign (segid "AAAA" and resid   68 and name  HG2) (segid "BBBB" and resid   79 and name HG12) 2.947 1.086 1.086 weight 1.000 ! spec=cc4dnoesy, no=925, id=908, vol=1.084510e+01
    or (segid "AAAA" and resid   68 and name  HG2) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   68 and name  HG2) (segid "BBBB" and resid   79 and name HG13)
    or (segid "BBBB" and resid   79 and name HG12) (segid "AAAA" and resid   68 and name  HG1)
    or (segid "BBBB" and resid   79 and name HG11) (segid "AAAA" and resid   68 and name  HG1)
    or (segid "BBBB" and resid   79 and name HG13) (segid "AAAA" and resid   68 and name  HG1)
assign (segid "AAAA" and resid    7 and name  HE1) (segid "AAAA" and resid    7 and name  HD2) 2.513 0.789 0.789 weight 1.000 ! spec=cc4dnoesy, no=927, id=910, vol=2.824090e+01
    or (segid "AAAA" and resid    7 and name  HE1) (segid "AAAA" and resid    7 and name  HD1)
assign (segid "AAAA" and resid   32 and name HD22) (segid "BBBB" and resid   84 and name  HE2) 3.406 1.450 1.450 weight 1.000 ! spec=cc4dnoesy, no=969, id=951, vol=4.552600e+00
    or (segid "AAAA" and resid   32 and name HD22) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "AAAA" and resid   32 and name HD22) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "AAAA" and resid   32 and name HD23) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "AAAA" and resid   32 and name HD23) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "AAAA" and resid   32 and name HD23) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "BBBB" and resid   76 and name HD12) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "BBBB" and resid   76 and name HD12) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "BBBB" and resid   76 and name HD12) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "BBBB" and resid   76 and name HD11) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "BBBB" and resid   76 and name HD11) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "BBBB" and resid   76 and name HD11) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "BBBB" and resid   76 and name HD13) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "BBBB" and resid   76 and name HD13) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "BBBB" and resid   76 and name HD13) (segid "BBBB" and resid   84 and name  HE3)
assign (segid "AAAA" and resid   47 and name   HA) (segid "AAAA" and resid   47 and name  HG2) 2.216 0.614 0.614 weight 1.000 ! spec=cc4dnoesy, no=994, id=976, vol=6.000000e+01
    or (segid "BBBB" and resid   92 and name   HA) (segid "AAAA" and resid   47 and name  HG2)
assign (segid "AAAA" and resid   47 and name   HA) (segid "AAAA" and resid   47 and name  HG1) 2.157 0.582 0.582 weight 1.000 ! spec=cc4dnoesy, no=995, id=977, vol=7.054620e+01
    or (segid "BBBB" and resid   92 and name   HA) (segid "AAAA" and resid   47 and name  HG1)
assign (segid "AAAA" and resid   63 and name  HG2) (segid "AAAA" and resid   63 and name  HB2) 1.659 0.344 0.344 weight 1.000 ! spec=cc4dnoesy, no=1012, id=994, vol=3.403573e+02
    or (segid "AAAA" and resid   63 and name  HG1) (segid "AAAA" and resid   63 and name  HB2)
    or (segid "AAAA" and resid   63 and name  HG1) (segid "AAAA" and resid   63 and name  HB1)
assign (segid "AAAA" and resid    8 and name  HB2) (segid "AAAA" and resid    8 and name   HA) 1.784 0.398 0.398 weight 1.000 ! spec=cc4dnoesy, no=1027, id=1009, vol=2.207850e+02
    or (segid "BBBB" and resid  101 and name  HB2) (segid "BBBB" and resid  101 and name   HA)
    or (segid "BBBB" and resid  101 and name  HB1) (segid "BBBB" and resid  101 and name   HA)
assign (segid "AAAA" and resid    7 and name   HA) (segid "AAAA" and resid    7 and name  HD2) 3.386 1.433 1.433 weight 1.000 ! spec=cc4dnoesy, no=1028, id=1010, vol=4.719100e+00
    or (segid "AAAA" and resid    7 and name   HA) (segid "AAAA" and resid    7 and name  HD1)
assign (segid "AAAA" and resid    7 and name  HB2) (segid "AAAA" and resid    7 and name   HA) 2.232 0.623 0.623 weight 1.000 ! spec=cc4dnoesy, no=1029, id=1011, vol=5.752360e+01
    or (segid "AAAA" and resid    7 and name   HA) (segid "AAAA" and resid    7 and name  HB1)
assign (segid "BBBB" and resid   93 and name  HG2) (segid "BBBB" and resid   94 and name  HD2) 3.377 1.426 1.426 weight 1.000 ! spec=cc4dnoesy, no=1030, id=1012, vol=4.788900e+00
    or (segid "BBBB" and resid   93 and name  HG1) (segid "BBBB" and resid   94 and name  HD2)
assign (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HD2) 3.425 1.466 1.466 weight 1.000 ! spec=inter_noe, no=0, id=2145, vol=4.638500e+00
    or (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HD2)
    or (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HD1)
    or (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HD1)
assign (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name HG11) 3.702 1.713 1.713 weight 1.000 ! spec=inter_noe, no=1, id=2146, vol=2.908700e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   79 and name HG11)
assign (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name HG21) 3.207 1.286 1.286 weight 1.000 ! spec=inter_noe, no=2, id=2147, vol=6.875500e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   79 and name HG21)
assign (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD21) 3.670 1.684 1.684 weight 1.000 ! spec=inter_noe, no=3, id=2148, vol=3.062500e+00
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   83 and name HD21)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   83 and name HD21) 4.385 2.403 2.403 weight 1.000 ! spec=inter_noe, no=4, id=2149, vol=1.053600e+00
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD21)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name  HB1) 4.350 2.365 2.365 weight 1.000 ! spec=inter_noe, no=6, id=2151, vol=1.105000e+00
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name  HB1)
assign (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   83 and name  HB1) 4.503 2.534 2.534 weight 1.000 ! spec=inter_noe, no=17, id=2162, vol=8.981000e-01
    or (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   83 and name  HB1)
assign (segid "AAAA" and resid   48 and name   HA) (segid "BBBB" and resid   92 and name HD11) 3.118 1.215 1.215 weight 1.000 ! spec=inter_noe, no=24, id=2163, vol=8.152100e+00
    or (segid "AAAA" and resid   48 and name   HA) (segid "BBBB" and resid   92 and name HG21)
    or (segid "AAAA" and resid   48 and name   HA) (segid "BBBB" and resid   92 and name HD11)
    or (segid "AAAA" and resid   48 and name   HA) (segid "BBBB" and resid   92 and name HG21)
assign (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   87 and name HD21) 3.326 1.383 1.383 weight 1.000 ! spec=inter_noe, no=30, id=2169, vol=5.530500e+00
    or (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   87 and name HD21)
    or (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   87 and name HD11)
assign (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   52 and name HG12) 3.116 1.214 1.214 weight 1.000 ! spec=inter_noe, no=34, id=2173, vol=8.176900e+00
    or (segid "BBBB" and resid   87 and name HD11) (segid "AAAA" and resid   52 and name HG12)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   52 and name HG12)
    or (segid "BBBB" and resid   87 and name HD11) (segid "AAAA" and resid   52 and name HG12)
assign (segid "AAAA" and resid   35 and name  HD2) (segid "BBBB" and resid   80 and name  HB1) 3.129 1.224 1.224 weight 1.000 ! spec=inter_noe, no=40, id=2177, vol=7.974800e+00
    or (segid "AAAA" and resid   35 and name  HD2) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HD1) (segid "BBBB" and resid   80 and name  HB1)
assign (segid "BBBB" and resid   87 and name HD11) (segid "AAAA" and resid   51 and name  HB1) 3.094 1.197 1.197 weight 1.000 ! spec=inter_noe, no=41, id=2178, vol=8.535600e+00
    or (segid "BBBB" and resid   87 and name HD11) (segid "AAAA" and resid   51 and name  HB1)
assign (segid "AAAA" and resid   52 and name HG11) (segid "BBBB" and resid   87 and name HD21) 3.190 1.272 1.272 weight 1.000 ! spec=inter_noe, no=60, id=2194, vol=7.099900e+00
    or (segid "AAAA" and resid   52 and name HG11) (segid "BBBB" and resid   87 and name HD21)
assign (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   87 and name HD21) 3.818 1.822 1.822 weight 1.000 ! spec=inter_noe, no=63, id=2197, vol=2.418000e+00
    or (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   87 and name HD21)
assign (segid "AAAA" and resid   38 and name HG11) (segid "BBBB" and resid   87 and name HD21) 3.264 1.332 1.332 weight 1.000 ! spec=inter_noe, no=64, id=2198, vol=6.186500e+00
    or (segid "AAAA" and resid   38 and name HG11) (segid "BBBB" and resid   87 and name HD21)
assign (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   83 and name HD21) 2.942 1.082 1.082 weight 1.000 ! spec=inter_noe, no=65, id=2199, vol=1.155050e+01
    or (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   32 and name   HG) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   32 and name   HG) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   32 and name   HG) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   38 and name HG12) (segid "BBBB" and resid   83 and name HD21)
assign (segid "AAAA" and resid   51 and name HD11) (segid "BBBB" and resid   87 and name HD11) 2.536 0.804 0.804 weight 1.000 ! spec=inter_noe, no=69, id=2203, vol=2.814660e+01
    or (segid "AAAA" and resid   51 and name HD11) (segid "BBBB" and resid   87 and name HD11)
assign (segid "AAAA" and resid   65 and name HG21) (segid "BBBB" and resid   79 and name HG21) 2.354 0.692 0.692 weight 1.000 ! spec=inter_noe, no=73, id=2207, vol=4.404460e+01
    or (segid "AAAA" and resid   65 and name HG21) (segid "BBBB" and resid   79 and name HG21)
assign (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   79 and name   HB) 3.218 1.295 1.295 weight 1.000 ! spec=inter_noe, no=74, id=2208, vol=6.738200e+00
    or (segid "AAAA" and resid   65 and name HG21) (segid "BBBB" and resid   79 and name   HB)
    or (segid "AAAA" and resid   65 and name HG21) (segid "BBBB" and resid   79 and name   HB)
    or (segid "AAAA" and resid   65 and name HG21) (segid "BBBB" and resid   79 and name   HB)
    or (segid "AAAA" and resid   65 and name HG21) (segid "BBBB" and resid   79 and name   HB)
    or (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   79 and name   HB)
    or (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   79 and name   HB)
    or (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   79 and name   HB)
assign (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   87 and name HD11) 3.217 1.294 1.294 weight 1.000 ! spec=inter_noe, no=77, id=2211, vol=6.755200e+00
    or (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   87 and name HD11)
assign (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   92 and name HD11) 3.597 1.617 1.617 weight 1.000 ! spec=inter_noe, no=79, id=2213, vol=3.455200e+00
    or (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   92 and name HD11)
assign (segid "AAAA" and resid   51 and name  HB2) (segid "BBBB" and resid   87 and name HD11) 2.929 1.072 1.072 weight 1.000 ! spec=inter_noe, no=94, id=2226, vol=1.186500e+01
    or (segid "AAAA" and resid   51 and name  HB2) (segid "BBBB" and resid   87 and name HD11)
assign (segid "AAAA" and resid   38 and name HD11) (segid "BBBB" and resid   87 and name HD21) 2.345 0.688 0.688 weight 1.000 ! spec=inter_noe, no=99, id=2229, vol=4.496130e+01
    or (segid "AAAA" and resid   38 and name HD11) (segid "BBBB" and resid   87 and name HD21)
assign (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   86 and name  HB1) 4.110 2.111 2.111 weight 1.000 ! spec=inter_noe, no=100, id=2230, vol=1.553600e+00
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HB2)
assign (segid "AAAA" and resid   52 and name HD11) (segid "BBBB" and resid   87 and name HD21) 2.537 0.804 0.804 weight 1.000 ! spec=inter_noe, no=103, id=2232, vol=2.808560e+01
    or (segid "AAAA" and resid   52 and name HD11) (segid "BBBB" and resid   87 and name HD21)
assign (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG21) 2.507 0.786 0.786 weight 1.000 ! spec=inter_noe, no=104, id=2233, vol=3.013500e+01
    or (segid "AAAA" and resid   48 and name HG21) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG21)
    or (segid "AAAA" and resid   48 and name HG21) (segid "BBBB" and resid   87 and name HD11)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB1) 3.705 1.716 1.716 weight 1.000 ! spec=inter_noe, no=106, id=2234, vol=2.896000e+00
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HG2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HG2)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name  HB2) 3.956 1.957 1.957 weight 1.000 ! spec=inter_noe, no=109, id=2237, vol=1.952200e+00
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name  HB2)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB2) 4.881 2.978 2.978 weight 1.000 ! spec=inter_noe, no=110, id=2238, vol=5.534000e-01
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name   HB)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB2)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HB2)
assign (segid "AAAA" and resid   48 and name   HB) (segid "BBBB" and resid   92 and name HG21) 4.211 2.217 2.217 weight 1.000 ! spec=inter_noe, no=112, id=2239, vol=1.341800e+00
    or (segid "AAAA" and resid   48 and name   HB) (segid "BBBB" and resid   92 and name HG21)
assign (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name HD11) 5.208 3.391 3.391 weight 1.000 ! spec=inter_noe, no=121, id=2242, vol=3.750000e-01
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name HD11)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name  HB1) 3.854 1.856 1.856 weight 1.000 ! spec=inter_noe, no=122, id=2243, vol=2.285200e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name  HB1)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name  HB1)
assign (segid "AAAA" and resid   37 and name  HA2) (segid "BBBB" and resid   94 and name   HA) 4.612 2.659 2.659 weight 1.000 ! spec=inter_noe, no=124, id=2245, vol=7.778000e-01
    or (segid "AAAA" and resid   37 and name  HA2) (segid "BBBB" and resid   96 and name   HA)
    or (segid "AAAA" and resid   37 and name  HA2) (segid "BBBB" and resid   94 and name   HA)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HD2) 4.943 3.054 3.054 weight 1.000 ! spec=inter_noe, no=126, id=2246, vol=5.133000e-01
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name  HD2)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   86 and name  HD2)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   86 and name  HD2)
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   16 and name  HD2) 4.693 2.753 2.753 weight 1.000 ! spec=n3dnoesy, no=4, id=1342, vol=1.020000e+00
    or (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   20 and name  HB2)
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   49 and name   HN) 4.031 2.031 2.031 weight 1.000 ! spec=n3dnoesy, no=8, id=1345, vol=2.541000e+00
    or (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   53 and name   HN)
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   19 and name  HA1) 2.775 0.963 0.963 weight 1.000 ! spec=n3dnoesy, no=13, id=1350, vol=2.387000e+01
    or (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   49 and name   HA)
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   22 and name   HA) 4.009 2.010 2.010 weight 1.000 ! spec=n3dnoesy, no=23, id=1360, vol=2.624000e+00
    or (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   27 and name  HD2)
assign (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   68 and name  HG2) 3.174 1.260 1.260 weight 1.000 ! spec=n3dnoesy, no=32, id=1369, vol=1.065300e+01
    or (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   68 and name  HG1)
assign (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   68 and name  HB2) 3.221 1.297 1.297 weight 1.000 ! spec=n3dnoesy, no=33, id=1370, vol=9.765000e+00
    or (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   68 and name  HB1)
assign (segid "BBBB" and resid   93 and name   HN) (segid "AAAA" and resid   48 and name HG21) 4.117 2.119 2.119 weight 1.000 ! spec=n3dnoesy, no=44, id=1381, vol=2.238000e+00
    or (segid "BBBB" and resid   93 and name   HN) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   93 and name   HN) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   92 and name HG11)
assign (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name  HB2) 2.513 0.789 0.789 weight 1.000 ! spec=n3dnoesy, no=51, id=1388, vol=4.333400e+01
    or (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name  HB1)
assign (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name HD22) 3.515 1.545 1.545 weight 1.000 ! spec=n3dnoesy, no=52, id=1389, vol=5.777000e+00
    or (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name HD23)
    or (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name HD12)
    or (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name HD11)
    or (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name HD13)
assign (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   93 and name  HG2) 2.972 1.104 1.104 weight 1.000 ! spec=n3dnoesy, no=54, id=1391, vol=1.583000e+01
    or (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   93 and name  HG1)
assign (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  101 and name  HB2) 3.666 1.680 1.680 weight 1.000 ! spec=n3dnoesy, no=64, id=1401, vol=4.492000e+00
    or (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  101 and name  HB1)
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   82 and name   HA) 2.389 0.713 0.713 weight 1.000 ! spec=n3dnoesy, no=80, id=1416, vol=5.871300e+01
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   85 and name   HA)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   88 and name   HA)
assign (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   89 and name  HB2) 2.665 0.888 0.888 weight 1.000 ! spec=n3dnoesy, no=85, id=1421, vol=3.045000e+01
    or (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   82 and name  HB2)
    or (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   84 and name  HB2)
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   83 and name  HB2) 2.365 0.699 0.699 weight 1.000 ! spec=n3dnoesy, no=86, id=1422, vol=6.226900e+01
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name  HB1)
assign (segid "BBBB" and resid   83 and name   HN) (segid "AAAA" and resid   32 and name HD12) 2.700 0.911 0.911 weight 1.000 ! spec=n3dnoesy, no=88, id=1424, vol=2.812000e+01
    or (segid "BBBB" and resid   83 and name   HN) (segid "AAAA" and resid   32 and name HD11)
    or (segid "BBBB" and resid   83 and name   HN) (segid "AAAA" and resid   32 and name HD13)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name HD22)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name HD21)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name HD23)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   33 and name  HB1) 4.947 3.059 3.059 weight 1.000 ! spec=n3dnoesy, no=105, id=1441, vol=7.440000e-01
    or (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   35 and name  HD1)
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   42 and name   HA) 3.007 1.130 1.130 weight 1.000 ! spec=n3dnoesy, no=109, id=1445, vol=1.474300e+01
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   43 and name   HA)
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   41 and name  HB2) 3.399 1.444 1.444 weight 1.000 ! spec=n3dnoesy, no=110, id=1446, vol=7.065000e+00
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   41 and name  HB1)
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   41 and name  HB3)
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   44 and name HG21)
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   44 and name HG23)
assign (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   79 and name   HB) 3.405 1.449 1.449 weight 1.000 ! spec=n3dnoesy, no=119, id=1453, vol=7.000000e+00
    or (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   82 and name  HB2)
assign (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   83 and name  HB2) 3.772 1.778 1.778 weight 1.000 ! spec=n3dnoesy, no=120, id=1454, vol=3.787000e+00
    or (segid "BBBB" and resid   80 and name   HN) (segid "AAAA" and resid   35 and name  HB1)
assign (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   77 and name   HA) 2.342 0.685 0.685 weight 1.000 ! spec=n3dnoesy, no=126, id=1460, vol=6.612200e+01
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   33 and name   HA)
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   33 and name  HB1) 3.161 1.249 1.249 weight 1.000 ! spec=n3dnoesy, no=127, id=1461, vol=1.092900e+01
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   35 and name  HD2)
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   35 and name  HD1)
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   35 and name  HB2) 2.276 0.648 0.648 weight 1.000 ! spec=n3dnoesy, no=130, id=1464, vol=7.842900e+01
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   35 and name  HB1)
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   32 and name  HB1) 2.747 0.943 0.943 weight 1.000 ! spec=n3dnoesy, no=131, id=1465, vol=2.538600e+01
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   35 and name  HG1)
    or (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   76 and name   HG)
assign (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   88 and name   HA) 2.434 0.740 0.740 weight 1.000 ! spec=n3dnoesy, no=139, id=1472, vol=5.246300e+01
    or (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   91 and name  HA2)
assign (segid "BBBB" and resid   92 and name   HN) (segid "AAAA" and resid   51 and name HD12) 2.750 0.945 0.945 weight 1.000 ! spec=n3dnoesy, no=143, id=1476, vol=2.521900e+01
    or (segid "BBBB" and resid   92 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   92 and name   HN) (segid "AAAA" and resid   51 and name HD13)
    or (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   92 and name HG22)
    or (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   92 and name HG21)
    or (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   92 and name HG23)
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   49 and name   HA) 3.982 1.982 1.982 weight 1.000 ! spec=n3dnoesy, no=160, id=1492, vol=2.733000e+00
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   54 and name   HA)
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name HD12) 3.387 1.434 1.434 weight 1.000 ! spec=n3dnoesy, no=161, id=1493, vol=7.227000e+00
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name HD13)
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name HG11)
    or (segid "AAAA" and resid   53 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   53 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   53 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name HD22) 4.058 2.059 2.059 weight 1.000 ! spec=n3dnoesy, no=162, id=1494, vol=2.441000e+00
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name HD21)
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name HD23)
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   55 and name   HN) 3.579 1.601 1.601 weight 1.000 ! spec=n3dnoesy, no=165, id=1497, vol=5.190000e+00
    or (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   60 and name   HN)
assign (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   63 and name   HA) 2.657 0.883 0.883 weight 1.000 ! spec=n3dnoesy, no=181, id=1512, vol=3.095700e+01
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   64 and name   HA)
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   24 and name  HB2) 3.379 1.427 1.427 weight 1.000 ! spec=n3dnoesy, no=182, id=1513, vol=7.325000e+00
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   63 and name  HG2)
assign (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   62 and name HD22) 2.915 1.062 1.062 weight 1.000 ! spec=n3dnoesy, no=196, id=1526, vol=1.777500e+01
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   65 and name HG22)
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   65 and name HG21)
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   65 and name HG23)
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name HG22) 2.708 0.917 0.917 weight 1.000 ! spec=n3dnoesy, no=204, id=1534, vol=2.761900e+01
    or (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   40 and name   HN) (segid "AAAA" and resid   39 and name  HB1) 3.021 1.141 1.141 weight 1.000 ! spec=n3dnoesy, no=207, id=1537, vol=1.434600e+01
    or (segid "AAAA" and resid   40 and name   HN) (segid "AAAA" and resid   40 and name   HA)
assign (segid "AAAA" and resid   40 and name   HN) (segid "AAAA" and resid   40 and name  HB2) 2.795 0.977 0.977 weight 1.000 ! spec=n3dnoesy, no=210, id=1540, vol=2.284400e+01
    or (segid "AAAA" and resid   40 and name   HN) (segid "AAAA" and resid   40 and name  HB1)
assign (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   86 and name  HB2) 2.199 0.604 0.604 weight 1.000 ! spec=n3dnoesy, no=218, id=1548, vol=9.649600e+01
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   86 and name  HB1)
assign (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   85 and name  HG2) 3.078 1.184 1.184 weight 1.000 ! spec=n3dnoesy, no=219, id=1549, vol=1.283200e+01
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   89 and name  HG1)
assign (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   87 and name HD22) 3.607 1.627 1.627 weight 1.000 ! spec=n3dnoesy, no=221, id=1551, vol=4.948000e+00
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   87 and name HD21)
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   87 and name HD23)
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   71 and name   HN) (segid "AAAA" and resid   70 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=n3dnoesy, no=224, id=1554, vol=3.510500e+01
    or (segid "AAAA" and resid   71 and name   HN) (segid "AAAA" and resid   71 and name   HA)
assign (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name HG22) 3.017 1.138 1.138 weight 1.000 ! spec=n3dnoesy, no=234, id=1564, vol=1.446700e+01
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   51 and name HD22) 4.033 2.033 2.033 weight 1.000 ! spec=n3dnoesy, no=243, id=1573, vol=2.534000e+00
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   51 and name HD21)
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   51 and name HD23)
    or (segid "AAAA" and resid   55 and name   HN) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   55 and name   HN) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   55 and name   HN) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   57 and name   HN) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=245, id=1575, vol=1.000000e+01
    or (segid "AAAA" and resid   55 and name   HN) (segid "BBBB" and resid   86 and name  HE1)
assign (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   84 and name  HB2) 2.110 0.557 0.557 weight 1.000 ! spec=n3dnoesy, no=257, id=1587, vol=1.233780e+02
    or (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   85 and name  HB2)
assign (segid "BBBB" and resid   85 and name   HN) (segid "AAAA" and resid   36 and name  HB2) 3.269 1.336 1.336 weight 1.000 ! spec=n3dnoesy, no=258, id=1588, vol=8.933000e+00
    or (segid "BBBB" and resid   85 and name   HN) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "BBBB" and resid   85 and name   HN) (segid "AAAA" and resid   36 and name  HB3)
    or (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   88 and name  HB2)
    or (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   88 and name  HB1)
    or (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   88 and name  HB3)
assign (segid "AAAA" and resid   41 and name   HN) (segid "AAAA" and resid   39 and name  HB1) 2.963 1.097 1.097 weight 1.000 ! spec=n3dnoesy, no=261, id=1591, vol=1.611300e+01
    or (segid "AAAA" and resid   41 and name   HN) (segid "AAAA" and resid   40 and name   HA)
assign (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   12 and name HG22) 3.765 1.772 1.772 weight 1.000 ! spec=n3dnoesy, no=275, id=1605, vol=3.825000e+00
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   56 and name HG11)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   52 and name   HB) 3.422 1.464 1.464 weight 1.000 ! spec=n3dnoesy, no=284, id=1614, vol=6.789000e+00
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   56 and name HG12)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   51 and name HD12) 3.922 1.923 1.923 weight 1.000 ! spec=n3dnoesy, no=289, id=1619, vol=2.994000e+00
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   51 and name HD13)
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   52 and name HG11)
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   55 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   55 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   55 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   62 and name  HB2) 2.568 0.824 0.824 weight 1.000 ! spec=n3dnoesy, no=295, id=1625, vol=3.805000e+01
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   62 and name   HG)
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   12 and name HG22) 3.897 1.898 1.898 weight 1.000 ! spec=n3dnoesy, no=296, id=1626, vol=3.114000e+00
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   12 and name HG13)
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   91 and name   HN) 3.305 1.365 1.365 weight 1.000 ! spec=n3dnoesy, no=301, id=1629, vol=8.366000e+00
    or (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   14 and name   HN)
assign (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   20 and name  HB2) 2.405 0.723 0.723 weight 1.000 ! spec=n3dnoesy, no=307, id=1635, vol=5.633500e+01
    or (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   21 and name  HB1)
assign (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   25 and name HD12) 3.531 1.558 1.558 weight 1.000 ! spec=n3dnoesy, no=309, id=1637, vol=5.629000e+00
    or (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   25 and name HD13)
    or (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   50 and name   HN) 2.966 1.100 1.100 weight 1.000 ! spec=n3dnoesy, no=311, id=1639, vol=1.600000e+01
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   55 and name   HN)
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   51 and name  HB1) 2.242 0.628 0.628 weight 1.000 ! spec=n3dnoesy, no=316, id=1644, vol=8.584200e+01
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name HG12)
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   38 and name HG12) 4.163 2.166 2.166 weight 1.000 ! spec=n3dnoesy, no=317, id=1645, vol=2.094000e+00
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   43 and name  HB2)
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   44 and name HG21)
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   44 and name HG23)
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   82 and name  HD1) 4.002 2.002 2.002 weight 1.000 ! spec=n3dnoesy, no=329, id=1657, vol=2.654000e+00
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   86 and name  HB2)
    or (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   66 and name  HD1)
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   76 and name  HB2) 2.719 0.924 0.924 weight 1.000 ! spec=n3dnoesy, no=330, id=1658, vol=2.697900e+01
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   82 and name  HG1)
assign (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   27 and name  HD2) 2.649 0.877 0.877 weight 1.000 ! spec=n3dnoesy, no=336, id=1664, vol=3.154100e+01
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   79 and name   HA)
assign (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   29 and name   HG) 2.909 1.058 1.058 weight 1.000 ! spec=n3dnoesy, no=339, id=1667, vol=1.800000e+01
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   80 and name  HB2)
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "BBBB" and resid   82 and name   HN) (segid "AAAA" and resid   32 and name HD22) 3.041 1.156 1.156 weight 1.000 ! spec=n3dnoesy, no=340, id=1668, vol=1.377600e+01
    or (segid "BBBB" and resid   82 and name   HN) (segid "AAAA" and resid   32 and name HD21)
    or (segid "BBBB" and resid   82 and name   HN) (segid "AAAA" and resid   32 and name HD23)
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   76 and name HD22)
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   76 and name HD23)
    or (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   83 and name  HB1)
    or (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   33 and name  HB2) 4.119 2.121 2.121 weight 1.000 ! spec=n3dnoesy, no=345, id=1673, vol=2.231000e+00
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   33 and name  HB1)
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   35 and name  HD1)
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   33 and name   HA) 2.705 0.914 0.914 weight 1.000 ! spec=n3dnoesy, no=348, id=1676, vol=2.785000e+01
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   36 and name   HA)
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   37 and name  HA2) 2.576 0.830 0.830 weight 1.000 ! spec=n3dnoesy, no=349, id=1677, vol=3.727900e+01
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   35 and name   HA)
assign (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   62 and name  HB1) 3.091 1.194 1.194 weight 1.000 ! spec=n3dnoesy, no=354, id=1682, vol=1.250700e+01
    or (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   66 and name  HG2)
    or (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   66 and name  HB2)
assign (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   67 and name  HB1) 2.134 0.569 0.569 weight 1.000 ! spec=n3dnoesy, no=358, id=1686, vol=1.154930e+02
    or (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   68 and name  HB2)
assign (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   66 and name  HB1) 2.920 1.066 1.066 weight 1.000 ! spec=n3dnoesy, no=359, id=1687, vol=1.760100e+01
    or (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   71 and name  HB2)
assign (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   26 and name  HB2) 2.344 0.687 0.687 weight 1.000 ! spec=n3dnoesy, no=362, id=1690, vol=6.574400e+01
    or (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   27 and name  HB1)
assign (segid "BBBB" and resid   96 and name   HN) (segid "AAAA" and resid   37 and name  HA2) 3.835 1.839 1.839 weight 1.000 ! spec=n3dnoesy, no=365, id=1693, vol=3.426000e+00
    or (segid "BBBB" and resid   96 and name   HN) (segid "AAAA" and resid   42 and name   HA)
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   76 and name HD22) 3.466 1.502 1.502 weight 1.000 ! spec=n3dnoesy, no=386, id=1714, vol=6.287000e+00
    or (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   76 and name HD23)
    or (segid "BBBB" and resid   81 and name   HN) (segid "AAAA" and resid   32 and name HD22)
    or (segid "BBBB" and resid   81 and name   HN) (segid "AAAA" and resid   32 and name HD21)
    or (segid "BBBB" and resid   81 and name   HN) (segid "AAAA" and resid   32 and name HD23)
assign (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   86 and name  HB1) 2.628 0.864 0.864 weight 1.000 ! spec=n3dnoesy, no=391, id=1719, vol=3.305800e+01
    or (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   86 and name  HB2)
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   83 and name HD12) 3.407 1.451 1.451 weight 1.000 ! spec=n3dnoesy, no=393, id=1721, vol=6.973000e+00
    or (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   83 and name HD13)
    or (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   83 and name HD12)
    or (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   47 and name  HB2) 2.598 0.844 0.844 weight 1.000 ! spec=n3dnoesy, no=399, id=1727, vol=3.547500e+01
    or (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   47 and name  HB1)
assign (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   29 and name   HN) 2.449 0.749 0.749 weight 1.000 ! spec=n3dnoesy, no=406, id=1734, vol=5.059000e+01
    or (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   31 and name   HN)
assign (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   25 and name HD12) 2.862 1.024 1.024 weight 1.000 ! spec=n3dnoesy, no=408, id=1736, vol=1.985200e+01
    or (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   25 and name HD13)
    or (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   29 and name  HB2)
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   69 and name   HA) 2.614 0.854 0.854 weight 1.000 ! spec=n3dnoesy, no=414, id=1741, vol=3.414100e+01
    or (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   70 and name   HA)
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   70 and name  HD2) 3.890 1.892 1.892 weight 1.000 ! spec=n3dnoesy, no=416, id=1743, vol=3.145000e+00
    or (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   70 and name  HD1)
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   69 and name  HB2) 2.671 0.892 0.892 weight 1.000 ! spec=n3dnoesy, no=417, id=1744, vol=3.002000e+01
    or (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   69 and name  HB1)
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   70 and name  HB1) 2.552 0.814 0.814 weight 1.000 ! spec=n3dnoesy, no=418, id=1745, vol=3.949800e+01
    or (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   71 and name  HB1)
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   67 and name   HN) 3.191 1.273 1.273 weight 1.000 ! spec=n3dnoesy, no=420, id=1747, vol=1.032800e+01
    or (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   70 and name   HN)
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   23 and name  HB2) 2.371 0.703 0.703 weight 1.000 ! spec=n3dnoesy, no=430, id=1757, vol=6.129500e+01
    or (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   23 and name  HB1)
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   68 and name  HB2) 2.253 0.635 0.635 weight 1.000 ! spec=n3dnoesy, no=443, id=1770, vol=8.327600e+01
    or (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   69 and name  HB2)
    or (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   69 and name  HB1)
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   22 and name HG22) 3.619 1.637 1.637 weight 1.000 ! spec=n3dnoesy, no=458, id=1785, vol=4.851000e+00
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   22 and name HG21)
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   22 and name HG23)
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   25 and name HD12)
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   40 and name  HB2) 3.467 1.503 1.503 weight 1.000 ! spec=n3dnoesy, no=464, id=1791, vol=6.277000e+00
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   40 and name  HB1)
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   43 and name  HB1)
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   49 and name   HN) 3.770 1.777 1.777 weight 1.000 ! spec=n3dnoesy, no=469, id=1796, vol=3.795000e+00
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name   HN)
    or (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   48 and name   HN)
assign (segid "AAAA" and resid   51 and name   HN) (segid "BBBB" and resid   87 and name HD12) 3.020 1.140 1.140 weight 1.000 ! spec=n3dnoesy, no=477, id=1804, vol=1.437100e+01
    or (segid "AAAA" and resid   51 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   51 and name   HN) (segid "BBBB" and resid   87 and name HD13)
    or (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name HD12)
    or (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name HD13)
assign (segid "AAAA" and resid   59 and name HE22) (segid "AAAA" and resid   55 and name   HA) 5.123 3.281 3.281 weight 1.000 ! spec=n3dnoesy, no=479, id=1806, vol=6.030000e-01
    or (segid "AAAA" and resid   59 and name HE22) (segid "AAAA" and resid   59 and name   HA)
assign (segid "AAAA" and resid   59 and name HE21) (segid "AAAA" and resid   59 and name  HB2) 4.604 2.649 2.649 weight 1.000 ! spec=n3dnoesy, no=489, id=1816, vol=1.145000e+00
    or (segid "AAAA" and resid   59 and name HE21) (segid "BBBB" and resid   82 and name  HG2)
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   16 and name   HA) 3.970 1.970 1.970 weight 1.000 ! spec=n3dnoesy, no=499, id=1826, vol=2.783000e+00
    or (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   19 and name  HA2)
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   17 and name  HB2) 2.724 0.928 0.928 weight 1.000 ! spec=n3dnoesy, no=502, id=1829, vol=2.666700e+01
    or (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   17 and name  HB1)
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name HD22) 3.346 1.399 1.399 weight 1.000 ! spec=n3dnoesy, no=523, id=1849, vol=7.771000e+00
    or (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name HD12)
    or (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name HD11)
    or (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name HD13)
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name  HB2) 2.624 0.860 0.860 weight 1.000 ! spec=n3dnoesy, no=533, id=1859, vol=3.342200e+01
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   36 and name  HB2)
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   36 and name  HB3)
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   66 and name  HD2) 4.590 2.633 2.633 weight 1.000 ! spec=n3dnoesy, no=540, id=1866, vol=1.166000e+00
    or (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   70 and name  HD2)
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   67 and name  HB2) 2.349 0.690 0.690 weight 1.000 ! spec=n3dnoesy, no=542, id=1868, vol=6.491300e+01
    or (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   67 and name  HB1)
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   87 and name   HA) 3.113 1.211 1.211 weight 1.000 ! spec=n3dnoesy, no=558, id=1884, vol=1.198200e+01
    or (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   91 and name  HA1)
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   87 and name  HB2) 3.454 1.492 1.492 weight 1.000 ! spec=n3dnoesy, no=563, id=1889, vol=6.417000e+00
    or (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   88 and name  HB2)
    or (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   88 and name  HB1)
    or (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   88 and name  HB3)
assign (segid "BBBB" and resid   90 and name   HN) (segid "AAAA" and resid   51 and name HD12) 3.476 1.510 1.510 weight 1.000 ! spec=n3dnoesy, no=564, id=1890, vol=6.182000e+00
    or (segid "BBBB" and resid   90 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   90 and name   HN) (segid "AAAA" and resid   51 and name HD13)
    or (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   17 and name  HG1) 2.947 1.086 1.086 weight 1.000 ! spec=n3dnoesy, no=570, id=1896, vol=1.664500e+01
    or (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   17 and name  HG2)
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   17 and name  HB2) 2.427 0.736 0.736 weight 1.000 ! spec=n3dnoesy, no=571, id=1897, vol=5.334100e+01
    or (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   17 and name  HB1)
assign (segid "AAAA" and resid   18 and name HD22) (segid "AAAA" and resid   17 and name  HB2) 4.167 2.171 2.171 weight 1.000 ! spec=n3dnoesy, no=583, id=1909, vol=2.081000e+00
    or (segid "AAAA" and resid   18 and name HD22) (segid "AAAA" and resid   17 and name  HB1)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   42 and name   HA) 2.764 0.955 0.955 weight 1.000 ! spec=n3dnoesy, no=585, id=1911, vol=2.442800e+01
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   43 and name   HA)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   20 and name  HB1) 4.316 2.328 2.328 weight 1.000 ! spec=n3dnoesy, no=587, id=1913, vol=1.687000e+00
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   45 and name  HB2)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   42 and name  HG1) 3.062 1.172 1.172 weight 1.000 ! spec=n3dnoesy, no=588, id=1914, vol=1.323500e+01
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   42 and name  HB1)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   40 and name  HG2) 3.578 1.601 1.601 weight 1.000 ! spec=n3dnoesy, no=589, id=1915, vol=5.193000e+00
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   42 and name  HG2)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   42 and name  HB2) 2.563 0.821 0.821 weight 1.000 ! spec=n3dnoesy, no=591, id=1917, vol=3.846300e+01
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   43 and name   HG)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   43 and name  HB2) 2.776 0.963 0.963 weight 1.000 ! spec=n3dnoesy, no=592, id=1918, vol=2.381100e+01
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   44 and name HG21)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   44 and name HG23)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   22 and name HG22) 3.817 1.821 1.821 weight 1.000 ! spec=n3dnoesy, no=593, id=1919, vol=3.526000e+00
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   22 and name HG21)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   22 and name HG23)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   25 and name HD22)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   25 and name HD12)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   33 and name   HN) 2.205 0.608 0.608 weight 1.000 ! spec=n3dnoesy, no=608, id=1934, vol=9.474300e+01
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   34 and name   HN)
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   31 and name   HN) 3.677 1.690 1.690 weight 1.000 ! spec=n3dnoesy, no=609, id=1935, vol=4.408000e+00
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   32 and name   HN)
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   35 and name  HG2) 3.498 1.529 1.529 weight 1.000 ! spec=n3dnoesy, no=615, id=1941, vol=5.955000e+00
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   35 and name  HB2)
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   35 and name  HB1)
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   30 and name  HG2) 3.478 1.512 1.512 weight 1.000 ! spec=n3dnoesy, no=616, id=1942, vol=6.156000e+00
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   32 and name  HB1)
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   30 and name  HG1) 3.435 1.475 1.475 weight 1.000 ! spec=n3dnoesy, no=617, id=1943, vol=6.639000e+00
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   36 and name  HB2)
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   36 and name  HB3)
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   38 and name   HB)
assign (segid "AAAA" and resid   23 and name HD21) (segid "AAAA" and resid   23 and name  HB2) 2.935 1.077 1.077 weight 1.000 ! spec=n3dnoesy, no=621, id=1946, vol=1.706600e+01
    or (segid "AAAA" and resid   23 and name HD21) (segid "AAAA" and resid   23 and name  HB1)
assign (segid "AAAA" and resid   23 and name HD22) (segid "AAAA" and resid   23 and name  HB2) 3.209 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=623, id=1948, vol=9.985000e+00
    or (segid "AAAA" and resid   23 and name HD22) (segid "AAAA" and resid   23 and name  HB1)
assign (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   31 and name  HB2) 2.399 0.720 0.720 weight 1.000 ! spec=n3dnoesy, no=628, id=1953, vol=5.713900e+01
    or (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   31 and name  HB1)
assign (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   30 and name  HD1) 4.447 2.472 2.472 weight 1.000 ! spec=n3dnoesy, no=630, id=1955, vol=1.409000e+00
    or (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   33 and name  HB1)
assign (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   25 and name HD12) 3.750 1.757 1.757 weight 1.000 ! spec=n3dnoesy, no=632, id=1957, vol=3.923000e+00
    or (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   25 and name HD13)
    or (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   29 and name  HB2)
assign (segid "BBBB" and resid   93 and name HE21) (segid "AAAA" and resid   47 and name   HA) 4.012 2.012 2.012 weight 1.000 ! spec=n3dnoesy, no=639, id=1960, vol=2.614000e+00
    or (segid "BBBB" and resid   93 and name HE21) (segid "BBBB" and resid   91 and name  HA2)
assign (segid "AAAA" and resid   17 and name HE21) (segid "AAAA" and resid   46 and name  HB2) 4.402 2.422 2.422 weight 1.000 ! spec=n3dnoesy, no=640, id=1961, vol=1.498000e+00
    or (segid "AAAA" and resid   17 and name HE21) (segid "AAAA" and resid   46 and name  HB1)
    or (segid "AAAA" and resid   17 and name HE21) (segid "AAAA" and resid   46 and name  HB3)
    or (segid "BBBB" and resid   81 and name HE21) (segid "BBBB" and resid   76 and name  HB1)
assign (segid "BBBB" and resid   85 and name HE21) (segid "BBBB" and resid   85 and name  HB2) 4.117 2.118 2.118 weight 1.000 ! spec=n3dnoesy, no=643, id=1964, vol=2.240000e+00
    or (segid "BBBB" and resid   85 and name HE21) (segid "BBBB" and resid   85 and name  HB1)
assign (segid "AAAA" and resid   67 and name HE22) (segid "AAAA" and resid   67 and name  HG2) 2.822 0.996 0.996 weight 1.000 ! spec=n3dnoesy, no=644, id=1965, vol=2.157600e+01
    or (segid "AAAA" and resid   67 and name HE22) (segid "AAAA" and resid   67 and name  HG1)
    or (segid "BBBB" and resid   81 and name HE22) (segid "BBBB" and resid   81 and name  HG1)
assign (segid "BBBB" and resid   81 and name HE22) (segid "BBBB" and resid   81 and name  HG2) 2.754 0.948 0.948 weight 1.000 ! spec=n3dnoesy, no=645, id=1966, vol=2.499000e+01
    or (segid "BBBB" and resid   93 and name HE22) (segid "BBBB" and resid   93 and name  HG2)
assign (segid "AAAA" and resid   17 and name HE22) (segid "AAAA" and resid   17 and name  HG2) 3.842 1.845 1.845 weight 1.000 ! spec=n3dnoesy, no=647, id=1968, vol=3.388000e+00
    or (segid "AAAA" and resid   17 and name HE22) (segid "AAAA" and resid   17 and name  HG1)
    or (segid "BBBB" and resid   85 and name HE22) (segid "BBBB" and resid   85 and name  HB1)
assign (segid "AAAA" and resid    5 and name   HN) (segid "AAAA" and resid    5 and name  HA2) 2.603 0.847 0.847 weight 1.000 ! spec=n3dnoesy, no=650, id=1971, vol=3.503900e+01
    or (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   13 and name  HA2)
assign (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   12 and name   HB) 3.963 1.963 1.963 weight 1.000 ! spec=n3dnoesy, no=651, id=1972, vol=2.816000e+00
    or (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   14 and name  HB2)
assign (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   12 and name HG22) 3.415 1.458 1.458 weight 1.000 ! spec=n3dnoesy, no=652, id=1973, vol=6.869000e+00
    or (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   87 and name HD22) 3.193 1.274 1.274 weight 1.000 ! spec=n3dnoesy, no=657, id=1978, vol=1.029400e+01
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   87 and name HD21)
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   87 and name HD23)
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   92 and name HG22)
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   92 and name HG21)
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   92 and name HG23)
assign (segid "AAAA" and resid   42 and name HE22) (segid "AAAA" and resid   38 and name HG12) 4.391 2.410 2.410 weight 1.000 ! spec=n3dnoesy, no=665, id=1982, vol=1.521000e+00
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   95 and name  HB2)
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   95 and name  HB1)
    or (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   95 and name  HB3)
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   57 and name  HG1) 3.716 1.726 1.726 weight 1.000 ! spec=n3dnoesy, no=667, id=1984, vol=4.142000e+00
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   57 and name  HB1)
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   59 and name  HG2)
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   62 and name HD22) 3.546 1.572 1.572 weight 1.000 ! spec=n3dnoesy, no=670, id=1987, vol=5.481000e+00
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   62 and name HD23)
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   65 and name HG22)
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   65 and name HG21)
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   65 and name HG23)
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   15 and name  HB2) 3.078 1.185 1.185 weight 1.000 ! spec=n3dnoesy, no=687, id=2001, vol=1.281100e+01
    or (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   18 and name  HB2)
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   17 and name  HB2) 3.907 1.908 1.908 weight 1.000 ! spec=n3dnoesy, no=688, id=2002, vol=3.066000e+00
    or (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   17 and name  HB1)
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   46 and name  HB2) 3.437 1.477 1.477 weight 1.000 ! spec=n3dnoesy, no=696, id=2010, vol=6.615000e+00
    or (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   46 and name  HB1)
    or (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   46 and name  HB3)
    or (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   87 and name  HB2)
    or (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   88 and name  HB2)
    or (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   88 and name  HB1)
    or (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   88 and name  HB3)
assign (segid "BBBB" and resid   91 and name   HN) (segid "AAAA" and resid   51 and name HD12) 4.661 2.716 2.716 weight 1.000 ! spec=n3dnoesy, no=697, id=2011, vol=1.063000e+00
    or (segid "BBBB" and resid   91 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   91 and name   HN) (segid "AAAA" and resid   51 and name HD13)
    or (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   42 and name  HB2) 3.721 1.731 1.731 weight 1.000 ! spec=n3dnoesy, no=704, id=2018, vol=4.104000e+00
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   43 and name   HG)
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   22 and name HG22) 4.480 2.509 2.509 weight 1.000 ! spec=n3dnoesy, no=706, id=2020, vol=1.348000e+00
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   22 and name HG21)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   22 and name HG23)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   25 and name HD12)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   38 and name HG22) 4.325 2.339 2.339 weight 1.000 ! spec=n3dnoesy, no=707, id=2021, vol=1.665000e+00
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   43 and name HD13)
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   33 and name  HB2) 4.493 2.523 2.523 weight 1.000 ! spec=n3dnoesy, no=718, id=2032, vol=1.326000e+00
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   33 and name  HB1)
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   38 and name HG22) 4.442 2.466 2.466 weight 1.000 ! spec=n3dnoesy, no=720, id=2034, vol=1.420000e+00
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   58 and name   HA) 2.584 0.835 0.835 weight 1.000 ! spec=n3dnoesy, no=723, id=2037, vol=3.662800e+01
    or (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   60 and name  HA1)
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   57 and name  HG1) 3.848 1.851 1.851 weight 1.000 ! spec=n3dnoesy, no=727, id=2041, vol=3.357000e+00
    or (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   57 and name  HB1)
    or (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   59 and name  HG2)
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   44 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=n3dnoesy, no=740, id=2054, vol=3.281500e+01
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   45 and name   HA)
assign (segid "AAAA" and resid   10 and name   HN) (segid "AAAA" and resid    9 and name HG22) 3.330 1.386 1.386 weight 1.000 ! spec=n3dnoesy, no=753, id=2067, vol=8.002000e+00
    or (segid "AAAA" and resid   10 and name   HN) (segid "AAAA" and resid    9 and name HG21)
    or (segid "AAAA" and resid   10 and name   HN) (segid "AAAA" and resid    9 and name HG23)
    or (segid "AAAA" and resid   10 and name   HN) (segid "AAAA" and resid    9 and name HG12)
    or (segid "AAAA" and resid   10 and name   HN) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid   10 and name   HN) (segid "AAAA" and resid    9 and name HG13)
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   63 and name   HA) 3.112 1.211 1.211 weight 1.000 ! spec=n3dnoesy, no=764, id=2078, vol=1.200000e+01
    or (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   64 and name   HA)
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   23 and name  HB2) 3.112 1.211 1.211 weight 1.000 ! spec=n3dnoesy, no=787, id=2101, vol=1.200000e+01
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   23 and name  HB1)
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   32 and name HD22) 4.042 2.042 2.042 weight 1.000 ! spec=n3dnoesy, no=793, id=2107, vol=2.500000e+00
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   32 and name HD21)
    or (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   32 and name HD23)
    or (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   76 and name HD22)
    or (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   76 and name HD23)
    or (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   76 and name HD12)
    or (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   76 and name HD11)
    or (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   76 and name HD13)
assign (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid    9 and name HG12) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=801, id=2115, vol=1.000000e+00
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid    9 and name HG13)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   62 and name HD22)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   62 and name HD23)
assign (segid "BBBB" and resid   89 and name   HN) (segid "AAAA" and resid   51 and name HD12) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=803, id=2117, vol=1.000000e+00
    or (segid "BBBB" and resid   89 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   89 and name   HN) (segid "AAAA" and resid   51 and name HD13)
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   87 and name HD22)
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   87 and name HD21)
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   87 and name HD23)
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   27 and name  HD2) 4.195 2.200 2.200 weight 1.000 ! spec=n3dnoesy, no=807, id=2121, vol=2.000000e+00
    or (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   30 and name   HA)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   51 and name  HB2) 5.286 3.492 3.492 weight 1.000 ! spec=n3dnoesy, no=809, id=2123, vol=5.000000e-01
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   56 and name HG11)
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   86 and name   HA) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=812, id=2124, vol=1.000000e+01
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   90 and name   HA)
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   47 and name   HA) 3.405 1.449 1.449 weight 1.000 ! spec=n3dnoesy, no=818, id=2130, vol=7.000000e+00
    or (segid "AAAA" and resid   48 and name   HN) (segid "BBBB" and resid   92 and name   HA)
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   51 and name HD12) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=819, id=2131, vol=1.000000e+00
    or (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   51 and name HD11)
    or (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   51 and name HD13)
    or (segid "AAAA" and resid   48 and name   HN) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   48 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   48 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   20 and name  HD1) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=823, id=2135, vol=1.000000e+00
    or (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   20 and name  HD2)
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   49 and name   HN)
assign (segid "AAAA" and resid   18 and name HD22) (segid "AAAA" and resid   17 and name  HG2) 5.486 3.762 3.762 weight 1.000 ! spec=n3dnoesy, no=826, id=2138, vol=4.000000e-01
    or (segid "AAAA" and resid   18 and name HD22) (segid "AAAA" and resid   17 and name  HG1)
assign (segid "BBBB" and resid  108 and name   HN) (segid "BBBB" and resid  107 and name  HB2) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=833, id=2144, vol=1.000000e+00
    or (segid "BBBB" and resid  108 and name   HN) (segid "BBBB" and resid  107 and name  HB1)
assign (segid "BBBB" and resid   90 and name  HE1) (segid "BBBB" and resid   90 and name   HA) 4.521 2.555 2.555 weight 1.000 ! spec=2dnoesy, no=0, id=1047, vol=3.727000e+00
assign (segid "BBBB" and resid   90 and name  HE1) (segid "BBBB" and resid   89 and name  HG2) 4.549 2.586 2.586 weight 1.000 ! spec=2dnoesy, no=2, id=1049, vol=3.592000e+00
assign (segid "BBBB" and resid   90 and name  HE1) (segid "BBBB" and resid   89 and name  HB1) 4.290 2.300 2.300 weight 1.000 ! spec=2dnoesy, no=3, id=1050, vol=5.105000e+00
assign (segid "BBBB" and resid   90 and name  HE1) (segid "AAAA" and resid   51 and name HD12) 4.076 2.077 2.077 weight 1.000 ! spec=2dnoesy, no=4, id=1051, vol=6.933000e+00
    or (segid "BBBB" and resid   90 and name  HE1) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   90 and name  HE1) (segid "AAAA" and resid   51 and name HD13)
assign (segid "BBBB" and resid   90 and name  HE1) (segid "AAAA" and resid   51 and name HD22) 3.424 1.465 1.465 weight 1.000 ! spec=2dnoesy, no=5, id=1052, vol=1.975000e+01
    or (segid "BBBB" and resid   90 and name  HE1) (segid "AAAA" and resid   51 and name HD21)
    or (segid "BBBB" and resid   90 and name  HE1) (segid "AAAA" and resid   51 and name HD23)
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   55 and name  HD1) 4.230 2.236 2.236 weight 1.000 ! spec=2dnoesy, no=9, id=1056, vol=5.555000e+00
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   55 and name  HD2)
assign (segid "BBBB" and resid   86 and name  HE1) (segid "BBBB" and resid   86 and name   HA) 5.601 3.922 3.922 weight 1.000 ! spec=2dnoesy, no=10, id=1057, vol=1.030000e+00
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name   HA) 4.535 2.571 2.571 weight 1.000 ! spec=2dnoesy, no=11, id=1058, vol=3.658000e+00
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   55 and name   HA) 4.386 2.405 2.405 weight 1.000 ! spec=2dnoesy, no=12, id=1059, vol=4.469000e+00
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   54 and name  HB2) 4.638 2.689 2.689 weight 1.000 ! spec=2dnoesy, no=14, id=1061, vol=3.196000e+00
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   54 and name  HB1) 4.185 2.189 2.189 weight 1.000 ! spec=2dnoesy, no=15, id=1062, vol=5.920000e+00
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   55 and name  HB1) 4.366 2.383 2.383 weight 1.000 ! spec=2dnoesy, no=16, id=1063, vol=4.590000e+00
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name  HB1) 5.756 4.141 4.141 weight 1.000 ! spec=2dnoesy, no=17, id=1064, vol=8.750000e-01
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name   HG) 5.994 4.491 4.491 weight 1.000 ! spec=2dnoesy, no=19, id=1066, vol=6.860000e-01
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name  HB2) 4.843 2.932 2.932 weight 1.000 ! spec=2dnoesy, no=20, id=1067, vol=2.465000e+00
assign (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name HD22) 3.456 1.493 1.493 weight 1.000 ! spec=2dnoesy, no=22, id=1069, vol=1.866900e+01
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name HD21)
    or (segid "BBBB" and resid   86 and name  HE1) (segid "AAAA" and resid   51 and name HD23)
assign (segid "BBBB" and resid  101 and name  HE1) (segid "BBBB" and resid   99 and name  HB2) 6.850 5.865 5.865 weight 1.000 ! spec=2dnoesy, no=26, id=1073, vol=3.080000e-01
    or (segid "BBBB" and resid  101 and name  HE1) (segid "BBBB" and resid   99 and name  HB1)
    or (segid "BBBB" and resid  101 and name  HE1) (segid "BBBB" and resid   99 and name  HB3)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   33 and name  HD1) 4.766 2.839 2.839 weight 1.000 ! spec=2dnoesy, no=28, id=1075, vol=2.716000e+00
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   33 and name  HD2)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   33 and name  HD1)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   33 and name  HD2)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   53 and name  HE1) 5.158 3.326 3.326 weight 1.000 ! spec=2dnoesy, no=29, id=1076, vol=1.689000e+00
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   53 and name  HE2)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   53 and name  HE1)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   53 and name  HE2)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   33 and name  HE1) 3.714 1.724 1.724 weight 1.000 ! spec=2dnoesy, no=30, id=1077, vol=1.211600e+01
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   33 and name  HE2)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   33 and name  HE1)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   33 and name  HE2)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   33 and name   HZ) 4.222 2.228 2.228 weight 1.000 ! spec=2dnoesy, no=32, id=1079, vol=5.616000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   33 and name   HZ)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   14 and name  HD1) 3.567 1.590 1.590 weight 1.000 ! spec=2dnoesy, no=33, id=1080, vol=1.544700e+01
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   14 and name  HD1)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   49 and name  HB2) 3.740 1.749 1.749 weight 1.000 ! spec=2dnoesy, no=34, id=1081, vol=1.162300e+01
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   49 and name  HB2)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   25 and name   HA) 4.702 2.764 2.764 weight 1.000 ! spec=2dnoesy, no=35, id=1082, vol=2.943000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   25 and name   HA)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   14 and name   HA) 4.322 2.335 2.335 weight 1.000 ! spec=2dnoesy, no=36, id=1083, vol=4.879000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   14 and name   HA)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   13 and name  HA1) 4.400 2.420 2.420 weight 1.000 ! spec=2dnoesy, no=38, id=1085, vol=4.386000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   13 and name  HA1)
assign (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   20 and name  HD1) 2.800 0.980 0.980 weight 1.000 ! spec=2dnoesy, no=39, id=1086, vol=6.599700e+01
    or (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   20 and name  HD2)
assign (segid "AAAA" and resid   43 and name   HA) (segid "AAAA" and resid   20 and name  HD1) 2.734 0.934 0.934 weight 1.000 ! spec=2dnoesy, no=40, id=1087, vol=7.615900e+01
    or (segid "AAAA" and resid   43 and name   HA) (segid "AAAA" and resid   20 and name  HD2)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   19 and name  HA2) 5.467 3.737 3.737 weight 1.000 ! spec=2dnoesy, no=45, id=1092, vol=1.191000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   19 and name  HA2)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   14 and name  HB1) 3.842 1.845 1.845 weight 1.000 ! spec=2dnoesy, no=46, id=1093, vol=9.891000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   14 and name  HB1)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   12 and name   HB) 4.145 2.148 2.148 weight 1.000 ! spec=2dnoesy, no=47, id=1094, vol=6.270000e+00
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   12 and name   HB)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   29 and name HD22) 2.660 0.884 0.884 weight 1.000 ! spec=2dnoesy, no=52, id=1099, vol=8.985900e+01
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name HG22) 3.288 1.351 1.351 weight 1.000 ! spec=2dnoesy, no=53, id=1100, vol=2.519800e+01
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name HG23)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name HG22)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name HD12) 3.546 1.571 1.571 weight 1.000 ! spec=2dnoesy, no=57, id=1104, vol=1.601000e+01
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   20 and name  HD1) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   20 and name  HD2) (segid "AAAA" and resid   52 and name HD13)
assign (segid "BBBB" and resid  108 and name  HE3) (segid "BBBB" and resid  108 and name   HA) 4.133 2.135 2.135 weight 1.000 ! spec=2dnoesy, no=59, id=1106, vol=6.384000e+00
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   33 and name  HD1) 4.403 2.424 2.424 weight 1.000 ! spec=2dnoesy, no=60, id=1107, vol=4.364000e+00
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   33 and name  HD2)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   33 and name  HD1)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   33 and name  HD2)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   55 and name  HD1) 6.064 4.596 4.596 weight 1.000 ! spec=2dnoesy, no=61, id=1108, vol=6.400000e-01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   55 and name  HD2)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   55 and name  HD1)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   55 and name  HD2)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   33 and name  HE1) 3.450 1.488 1.488 weight 1.000 ! spec=2dnoesy, no=62, id=1109, vol=1.886900e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   33 and name  HE2)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   33 and name  HE1)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   33 and name  HE2)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   53 and name  HD1) 3.313 1.372 1.372 weight 1.000 ! spec=2dnoesy, no=63, id=1110, vol=2.404900e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   53 and name  HD2)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   53 and name  HD1)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   33 and name   HZ) 3.380 1.428 1.428 weight 1.000 ! spec=2dnoesy, no=64, id=1111, vol=2.134700e+01
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   33 and name   HZ)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   14 and name  HD1) 3.754 1.762 1.762 weight 1.000 ! spec=2dnoesy, no=65, id=1112, vol=1.136600e+01
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   14 and name  HD1)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   14 and name   HA) 5.122 3.280 3.280 weight 1.000 ! spec=2dnoesy, no=66, id=1113, vol=1.761000e+00
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   14 and name   HA)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   43 and name   HA) 3.479 1.513 1.513 weight 1.000 ! spec=2dnoesy, no=69, id=1116, vol=1.794500e+01
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   43 and name   HA)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   53 and name   HA) 3.369 1.419 1.419 weight 1.000 ! spec=2dnoesy, no=70, id=1117, vol=2.174300e+01
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   53 and name   HA)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   50 and name   HA) 4.763 2.835 2.835 weight 1.000 ! spec=2dnoesy, no=71, id=1118, vol=2.726000e+00
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   50 and name   HA)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   14 and name  HB1) 3.905 1.906 1.906 weight 1.000 ! spec=2dnoesy, no=72, id=1119, vol=8.973000e+00
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   14 and name  HB1)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   12 and name   HB) 3.399 1.444 1.444 weight 1.000 ! spec=2dnoesy, no=73, id=1120, vol=2.063100e+01
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   12 and name   HB)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   53 and name  HB2) 3.419 1.461 1.461 weight 1.000 ! spec=2dnoesy, no=74, id=1121, vol=1.990900e+01
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   53 and name  HB2)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   56 and name HD12) 2.781 0.967 0.967 weight 1.000 ! spec=2dnoesy, no=76, id=1123, vol=6.882000e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   56 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   29 and name HD22) 2.785 0.970 0.970 weight 1.000 ! spec=2dnoesy, no=77, id=1124, vol=6.812800e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   20 and name  HE1) 2.424 0.734 0.734 weight 1.000 ! spec=2dnoesy, no=78, id=1125, vol=1.569630e+02
    or (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   20 and name  HE2)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   20 and name  HE1)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   20 and name  HE2)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   20 and name  HE1)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   20 and name  HE2)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   52 and name HD12) 2.892 1.045 1.045 weight 1.000 ! spec=2dnoesy, no=82, id=1129, vol=5.442400e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "BBBB" and resid   83 and name HD12) 4.547 2.585 2.585 weight 1.000 ! spec=2dnoesy, no=83, id=1130, vol=3.598000e+00
    or (segid "AAAA" and resid   20 and name  HE1) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   43 and name HD22) 3.150 1.241 1.241 weight 1.000 ! spec=2dnoesy, no=84, id=1131, vol=3.254300e+01
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   20 and name  HE1) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   20 and name  HE2) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    6 and name  HB1) 4.184 2.188 2.188 weight 1.000 ! spec=2dnoesy, no=87, id=1134, vol=5.931000e+00
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    6 and name  HB1)
assign (segid "BBBB" and resid  108 and name  HD1) (segid "BBBB" and resid  108 and name   HA) 4.569 2.609 2.609 weight 1.000 ! spec=2dnoesy, no=90, id=1137, vol=3.499000e+00
assign (segid "BBBB" and resid  108 and name  HD1) (segid "BBBB" and resid  108 and name  HB1) 4.190 2.195 2.195 weight 1.000 ! spec=2dnoesy, no=91, id=1138, vol=5.877000e+00
assign (segid "BBBB" and resid  108 and name  HD1) (segid "BBBB" and resid  108 and name  HB2) 3.805 1.810 1.810 weight 1.000 ! spec=2dnoesy, no=92, id=1139, vol=1.048400e+01
assign (segid "AAAA" and resid    6 and name  HD1) (segid "AAAA" and resid    5 and name  HA1) 7.405 6.854 6.854 weight 1.000 ! spec=2dnoesy, no=95, id=1142, vol=1.930000e-01
assign (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid   11 and name   HA) 7.055 6.222 6.222 weight 1.000 ! spec=2dnoesy, no=96, id=1143, vol=2.580000e-01
assign (segid "AAAA" and resid    6 and name  HD1) (segid "AAAA" and resid    6 and name   HA) 5.815 4.226 4.226 weight 1.000 ! spec=2dnoesy, no=97, id=1144, vol=8.230000e-01
assign (segid "AAAA" and resid    6 and name  HD1) (segid "AAAA" and resid    7 and name   HA) 5.107 3.260 3.260 weight 1.000 ! spec=2dnoesy, no=98, id=1145, vol=1.793000e+00
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    7 and name   HA)
assign (segid "AAAA" and resid    6 and name  HD1) (segid "AAAA" and resid    5 and name  HA1) 4.366 2.382 2.382 weight 1.000 ! spec=2dnoesy, no=99, id=1146, vol=4.595000e+00
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    5 and name  HA1)
assign (segid "AAAA" and resid   14 and name  HZ2) (segid "AAAA" and resid   50 and name   HA) 2.679 0.897 0.897 weight 1.000 ! spec=2dnoesy, no=102, id=1149, vol=8.614200e+01
assign (segid "AAAA" and resid   14 and name  HZ2) (segid "AAAA" and resid   16 and name   HA) 2.647 0.876 0.876 weight 1.000 ! spec=2dnoesy, no=103, id=1150, vol=9.241100e+01
assign (segid "AAAA" and resid   14 and name  HZ2) (segid "AAAA" and resid   50 and name  HG1) 3.121 1.218 1.218 weight 1.000 ! spec=2dnoesy, no=105, id=1152, vol=3.439100e+01
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   33 and name  HE1) 4.544 2.581 2.581 weight 1.000 ! spec=2dnoesy, no=106, id=1153, vol=3.612000e+00
    or (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   33 and name  HE2)
assign (segid "AAAA" and resid   11 and name  HD2) (segid "AAAA" and resid   14 and name  HZ3) 4.717 2.781 2.781 weight 1.000 ! spec=2dnoesy, no=107, id=1154, vol=2.888000e+00
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   80 and name   HA) 4.199 2.204 2.204 weight 1.000 ! spec=2dnoesy, no=111, id=1158, vol=5.802000e+00
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name   HA) 3.078 1.184 1.184 weight 1.000 ! spec=2dnoesy, no=112, id=1159, vol=3.741300e+01
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name  HD2) 3.859 1.862 1.862 weight 1.000 ! spec=2dnoesy, no=113, id=1160, vol=9.628000e+00
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   83 and name   HA) 3.325 1.382 1.382 weight 1.000 ! spec=2dnoesy, no=114, id=1161, vol=2.355900e+01
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   82 and name  HG1) 3.046 1.160 1.160 weight 1.000 ! spec=2dnoesy, no=116, id=1163, vol=3.982200e+01
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG22) 2.584 0.835 0.835 weight 1.000 ! spec=2dnoesy, no=122, id=1169, vol=1.067970e+02
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG23)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG12) 2.846 1.012 1.012 weight 1.000 ! spec=2dnoesy, no=123, id=1170, vol=5.986900e+01
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG13)
assign (segid "BBBB" and resid   90 and name  HD2) (segid "BBBB" and resid   87 and name   HA) 3.011 1.133 1.133 weight 1.000 ! spec=2dnoesy, no=127, id=1174, vol=4.267600e+01
assign (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid    8 and name   HA) 5.407 3.655 3.655 weight 1.000 ! spec=2dnoesy, no=133, id=1180, vol=1.273000e+00
assign (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid    9 and name   HA) 5.025 3.156 3.156 weight 1.000 ! spec=2dnoesy, no=135, id=1182, vol=1.977000e+00
assign (segid "AAAA" and resid    8 and name  HD2) (segid "AAAA" and resid   10 and name  HB2) 4.570 2.610 2.610 weight 1.000 ! spec=2dnoesy, no=137, id=1184, vol=3.494000e+00
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   33 and name  HE1) 3.271 1.338 1.338 weight 1.000 ! spec=2dnoesy, no=139, id=1186, vol=2.596600e+01
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   33 and name  HE2)
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   53 and name  HD1) 3.075 1.182 1.182 weight 1.000 ! spec=2dnoesy, no=140, id=1187, vol=3.764900e+01
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   33 and name   HZ) 3.196 1.277 1.277 weight 1.000 ! spec=2dnoesy, no=141, id=1188, vol=2.985300e+01
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   14 and name  HD1) 5.103 3.255 3.255 weight 1.000 ! spec=2dnoesy, no=142, id=1189, vol=1.801000e+00
assign (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   20 and name   HZ) 2.684 0.901 0.901 weight 1.000 ! spec=2dnoesy, no=145, id=1192, vol=8.508000e+01
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   20 and name   HZ)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   20 and name   HZ)
assign (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   20 and name   HZ) 2.480 0.769 0.769 weight 1.000 ! spec=2dnoesy, no=146, id=1193, vol=1.366740e+02
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   20 and name   HZ)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   20 and name   HZ)
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   52 and name HD12) 3.691 1.703 1.703 weight 1.000 ! spec=2dnoesy, no=149, id=1196, vol=1.259000e+01
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   43 and name HD22) 4.729 2.795 2.795 weight 1.000 ! spec=2dnoesy, no=151, id=1198, vol=2.846000e+00
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   20 and name   HZ) (segid "AAAA" and resid   43 and name HD23)
assign (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid  102 and name   HA) 4.989 3.111 3.111 weight 1.000 ! spec=2dnoesy, no=154, id=1200, vol=2.063000e+00
assign (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid   99 and name  HB2) 7.740 7.488 7.488 weight 1.000 ! spec=2dnoesy, no=156, id=1202, vol=1.480000e-01
    or (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid   99 and name  HB1)
    or (segid "BBBB" and resid  101 and name  HD2) (segid "BBBB" and resid   99 and name  HB3)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   33 and name   HZ) 5.403 3.649 3.649 weight 1.000 ! spec=2dnoesy, no=159, id=1205, vol=1.279000e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   33 and name   HZ)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   59 and name HE21) 4.112 2.113 2.113 weight 1.000 ! spec=2dnoesy, no=160, id=1206, vol=6.582000e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   59 and name HE21)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name   HA) 3.700 1.711 1.711 weight 1.000 ! spec=2dnoesy, no=161, id=1207, vol=1.240100e+01
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name   HA)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   55 and name   HA) 3.580 1.602 1.602 weight 1.000 ! spec=2dnoesy, no=163, id=1209, vol=1.510100e+01
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   55 and name   HA)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   79 and name   HA) 3.500 1.531 1.531 weight 1.000 ! spec=2dnoesy, no=164, id=1210, vol=1.730600e+01
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name   HA)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   82 and name  HD2) 3.850 1.853 1.853 weight 1.000 ! spec=2dnoesy, no=165, id=1211, vol=9.773000e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   82 and name  HD2)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   56 and name   HA) 2.995 1.122 1.122 weight 1.000 ! spec=2dnoesy, no=166, id=1212, vol=4.403500e+01
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   56 and name   HA)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name   HA) 2.791 0.974 0.974 weight 1.000 ! spec=2dnoesy, no=167, id=1213, vol=6.728300e+01
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name   HA)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   32 and name   HG) 3.893 1.894 1.894 weight 1.000 ! spec=2dnoesy, no=168, id=1214, vol=9.145000e+00
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   32 and name   HG)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   79 and name HG22) 2.424 0.734 0.734 weight 1.000 ! spec=2dnoesy, no=169, id=1215, vol=1.568200e+02
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   79 and name HG23)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name HG22)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   79 and name HG23)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   32 and name HD12) 2.610 0.852 0.852 weight 1.000 ! spec=2dnoesy, no=171, id=1217, vol=1.005790e+02
    or (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   32 and name HD12)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "AAAA" and resid   32 and name HD13)
assign (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name HD12) 2.966 1.100 1.100 weight 1.000 ! spec=2dnoesy, no=172, id=1218, vol=4.669400e+01
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE1) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   55 and name  HE2) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   14 and name  HH2) (segid "AAAA" and resid   15 and name   HA) 4.910 3.014 3.014 weight 1.000 ! spec=2dnoesy, no=174, id=1220, vol=2.270000e+00
assign (segid "AAAA" and resid   14 and name  HH2) (segid "AAAA" and resid   50 and name   HA) 3.555 1.580 1.580 weight 1.000 ! spec=2dnoesy, no=175, id=1221, vol=1.576700e+01
assign (segid "AAAA" and resid   14 and name  HH2) (segid "AAAA" and resid   16 and name  HD1) 4.798 2.878 2.878 weight 1.000 ! spec=2dnoesy, no=176, id=1222, vol=2.606000e+00
assign (segid "AAAA" and resid   14 and name  HH2) (segid "AAAA" and resid   50 and name  HE2) 3.280 1.344 1.344 weight 1.000 ! spec=2dnoesy, no=177, id=1223, vol=2.556900e+01
assign (segid "BBBB" and resid   97 and name HD22) (segid "BBBB" and resid   97 and name  HB2) 4.173 2.177 2.177 weight 1.000 ! spec=2dnoesy, no=178, id=1224, vol=6.022000e+00
assign (segid "AAAA" and resid   14 and name  HH2) (segid "AAAA" and resid   50 and name  HG1) 3.469 1.504 1.504 weight 1.000 ! spec=2dnoesy, no=180, id=1226, vol=1.826000e+01
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   30 and name   HA) 2.869 1.029 1.029 weight 1.000 ! spec=2dnoesy, no=181, id=1227, vol=5.706200e+01
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   30 and name   HA)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   52 and name HD12) 2.775 0.963 0.963 weight 1.000 ! spec=2dnoesy, no=182, id=1228, vol=6.963600e+01
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   36 and name  HB2) 2.786 0.971 0.971 weight 1.000 ! spec=2dnoesy, no=187, id=1233, vol=6.796100e+01
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   36 and name  HB3)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   36 and name  HB2)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   36 and name  HB3)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   79 and name HG22) 3.867 1.869 1.869 weight 1.000 ! spec=2dnoesy, no=190, id=1235, vol=9.517000e+00
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   79 and name HG23)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   79 and name HG22)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   79 and name HG21)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   79 and name HG23)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   25 and name HD22) 2.205 0.608 0.608 weight 1.000 ! spec=2dnoesy, no=191, id=1236, vol=2.765550e+02
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   25 and name HD23)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   25 and name HD22)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   25 and name HD23)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   25 and name HD12) 2.360 0.696 0.696 weight 1.000 ! spec=2dnoesy, no=192, id=1237, vol=1.842550e+02
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   25 and name HD13)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   25 and name HD12)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   83 and name HD22) 2.179 0.593 0.593 weight 1.000 ! spec=2dnoesy, no=193, id=1238, vol=2.974980e+02
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD23)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   32 and name HD12) 2.473 0.765 0.765 weight 1.000 ! spec=2dnoesy, no=194, id=1239, vol=1.390240e+02
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   32 and name HD12)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   32 and name HD13)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   43 and name HD12) 2.298 0.660 0.660 weight 1.000 ! spec=2dnoesy, no=195, id=1240, vol=2.160030e+02
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   43 and name HD13)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   38 and name HD12) 2.395 0.717 0.717 weight 1.000 ! spec=2dnoesy, no=196, id=1241, vol=1.683630e+02
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   38 and name HD13)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   83 and name HD12) 3.242 1.314 1.314 weight 1.000 ! spec=2dnoesy, no=197, id=1242, vol=2.738300e+01
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   43 and name HD22) 2.875 1.033 1.033 weight 1.000 ! spec=2dnoesy, no=198, id=1243, vol=5.635800e+01
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   33 and name  HD1) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   33 and name  HD2) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   86 and name   HA) 5.269 3.470 3.470 weight 1.000 ! spec=2dnoesy, no=199, id=1244, vol=1.487000e+00
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   86 and name   HA)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   55 and name   HA) 2.468 0.761 0.761 weight 1.000 ! spec=2dnoesy, no=200, id=1245, vol=1.409210e+02
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   55 and name   HA)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   83 and name   HA) 2.974 1.106 1.106 weight 1.000 ! spec=2dnoesy, no=201, id=1246, vol=4.594100e+01
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   83 and name   HA)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   52 and name HG22) 2.900 1.051 1.051 weight 1.000 ! spec=2dnoesy, no=203, id=1248, vol=5.351700e+01
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   52 and name HG23)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   52 and name HG22)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   83 and name HD22) 2.524 0.796 0.796 weight 1.000 ! spec=2dnoesy, no=204, id=1249, vol=1.230180e+02
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "BBBB" and resid   83 and name HD23)
assign (segid "BBBB" and resid   83 and name HD12) (segid "AAAA" and resid   55 and name  HD1) 2.571 0.826 0.826 weight 1.000 ! spec=2dnoesy, no=208, id=1253, vol=1.101250e+02
    or (segid "BBBB" and resid   83 and name HD12) (segid "AAAA" and resid   55 and name  HD2)
    or (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HD1)
    or (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HD2)
    or (segid "BBBB" and resid   83 and name HD13) (segid "AAAA" and resid   55 and name  HD1)
    or (segid "BBBB" and resid   83 and name HD13) (segid "AAAA" and resid   55 and name  HD2)
assign (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   56 and name HD12) 2.672 0.892 0.892 weight 1.000 ! spec=2dnoesy, no=209, id=1254, vol=8.742700e+01
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   55 and name  HD1) (segid "AAAA" and resid   56 and name HD13)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   55 and name  HD2) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   14 and name  HD1) 5.643 3.981 3.981 weight 1.000 ! spec=2dnoesy, no=211, id=1256, vol=9.850000e-01
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   14 and name  HD1)
assign (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   54 and name   HA) 3.906 1.908 1.908 weight 1.000 ! spec=2dnoesy, no=214, id=1259, vol=8.952000e+00
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   54 and name   HA)
assign (segid "AAAA" and resid   53 and name  HE1) (segid "AAAA" and resid   53 and name   HA) 3.386 1.433 1.433 weight 1.000 ! spec=2dnoesy, no=215, id=1260, vol=2.112000e+01
    or (segid "AAAA" and resid   53 and name  HE2) (segid "AAAA" and resid   53 and name   HA)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   33 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=2dnoesy, no=218, id=1263, vol=3.014500e+01
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   33 and name   HA)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   29 and name HD22) 2.240 0.627 0.627 weight 1.000 ! spec=2dnoesy, no=223, id=1268, vol=2.515350e+02
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   29 and name HD23)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   29 and name HD22)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   52 and name HG22) 2.304 0.663 0.663 weight 1.000 ! spec=2dnoesy, no=224, id=1269, vol=2.128700e+02
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   52 and name HG23)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   52 and name HG22)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   83 and name HD22) 2.445 0.747 0.747 weight 1.000 ! spec=2dnoesy, no=225, id=1270, vol=1.489260e+02
    or (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD23)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   32 and name HD12) 2.476 0.766 0.766 weight 1.000 ! spec=2dnoesy, no=226, id=1271, vol=1.381780e+02
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   32 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   32 and name HD13)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   43 and name HD12) 2.658 0.883 0.883 weight 1.000 ! spec=2dnoesy, no=227, id=1272, vol=9.025000e+01
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   43 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   43 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   43 and name HD13)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   52 and name HD12) 2.995 1.121 1.121 weight 1.000 ! spec=2dnoesy, no=229, id=1274, vol=4.408400e+01
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   83 and name HD12) 3.373 1.422 1.422 weight 1.000 ! spec=2dnoesy, no=230, id=1275, vol=2.161500e+01
    or (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   43 and name HD22) 2.894 1.047 1.047 weight 1.000 ! spec=2dnoesy, no=231, id=1276, vol=5.409800e+01
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE1) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   33 and name  HE2) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   14 and name  HE3) (segid "AAAA" and resid   15 and name   HA) 3.184 1.267 1.267 weight 1.000 ! spec=2dnoesy, no=234, id=1279, vol=3.053000e+01
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   54 and name   HA) 3.253 1.323 1.323 weight 1.000 ! spec=2dnoesy, no=235, id=1280, vol=2.683200e+01
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   54 and name   HA)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   50 and name   HA) 3.170 1.256 1.256 weight 1.000 ! spec=2dnoesy, no=238, id=1283, vol=3.133200e+01
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   50 and name   HA)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   12 and name HG22) 2.572 0.827 0.827 weight 1.000 ! spec=2dnoesy, no=240, id=1285, vol=1.099660e+02
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   12 and name HG23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   12 and name HG22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   12 and name HG23)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   56 and name HD12) 3.058 1.169 1.169 weight 1.000 ! spec=2dnoesy, no=241, id=1286, vol=3.890100e+01
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   56 and name HD13)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   56 and name HG22) 3.640 1.656 1.656 weight 1.000 ! spec=2dnoesy, no=243, id=1288, vol=1.367300e+01
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   56 and name HG23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   56 and name HG22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   29 and name HD12) 4.690 2.749 2.749 weight 1.000 ! spec=2dnoesy, no=244, id=1289, vol=2.990000e+00
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   14 and name  HE3) (segid "AAAA" and resid   14 and name   HA) 3.853 1.856 1.856 weight 1.000 ! spec=2dnoesy, no=245, id=1290, vol=9.725000e+00
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   52 and name HG22) 3.385 1.432 1.432 weight 1.000 ! spec=2dnoesy, no=246, id=1291, vol=2.114000e+01
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   52 and name HG23)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   52 and name HG22)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   56 and name HD12) 2.487 0.773 0.773 weight 1.000 ! spec=2dnoesy, no=248, id=1293, vol=1.343480e+02
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   29 and name HD22) 2.577 0.830 0.830 weight 1.000 ! spec=2dnoesy, no=249, id=1294, vol=1.086470e+02
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   52 and name HG22) 2.496 0.779 0.779 weight 1.000 ! spec=2dnoesy, no=250, id=1295, vol=1.315580e+02
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   29 and name HD12) 2.659 0.884 0.884 weight 1.000 ! spec=2dnoesy, no=252, id=1297, vol=8.994300e+01
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   52 and name HD12) 3.312 1.371 1.371 weight 1.000 ! spec=2dnoesy, no=253, id=1298, vol=2.411700e+01
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "BBBB" and resid   83 and name HD12) 3.986 1.986 1.986 weight 1.000 ! spec=2dnoesy, no=254, id=1299, vol=7.931000e+00
    or (segid "AAAA" and resid   33 and name   HZ) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "BBBB" and resid   83 and name HD13)
assign (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   52 and name HG22) 3.685 1.697 1.697 weight 1.000 ! spec=2dnoesy, no=255, id=1300, vol=1.270900e+01
    or (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   52 and name HG21)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   52 and name HG23)
assign (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   86 and name   HA) 4.413 2.435 2.435 weight 1.000 ! spec=2dnoesy, no=257, id=1302, vol=4.306000e+00
assign (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   51 and name   HA) 4.305 2.316 2.316 weight 1.000 ! spec=2dnoesy, no=258, id=1303, vol=4.999000e+00
assign (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   87 and name   HA) 3.608 1.627 1.627 weight 1.000 ! spec=2dnoesy, no=260, id=1305, vol=1.441900e+01
assign (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   83 and name   HA) 3.634 1.651 1.651 weight 1.000 ! spec=2dnoesy, no=261, id=1306, vol=1.380400e+01
assign (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   58 and name  HB1) 5.047 3.184 3.184 weight 1.000 ! spec=2dnoesy, no=262, id=1307, vol=1.925000e+00
assign (segid "BBBB" and resid   86 and name  HD2) (segid "AAAA" and resid   55 and name  HB1) 2.928 1.071 1.071 weight 1.000 ! spec=2dnoesy, no=263, id=1308, vol=5.052200e+01
assign (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   83 and name   HG) 3.989 1.989 1.989 weight 1.000 ! spec=2dnoesy, no=265, id=1310, vol=7.899000e+00
assign (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   83 and name HD12) 2.684 0.901 0.901 weight 1.000 ! spec=2dnoesy, no=267, id=1312, vol=8.503600e+01
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   86 and name  HD2) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   52 and name HG22) 6.421 5.153 5.153 weight 1.000 ! spec=2dnoesy, no=268, id=1313, vol=4.540000e-01
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   14 and name   HA) 3.568 1.592 1.592 weight 1.000 ! spec=2dnoesy, no=270, id=1315, vol=1.540600e+01
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   19 and name  HA1) 3.056 1.167 1.167 weight 1.000 ! spec=2dnoesy, no=271, id=1316, vol=3.908600e+01
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   20 and name  HB2) 4.437 2.461 2.461 weight 1.000 ! spec=2dnoesy, no=273, id=1318, vol=4.169000e+00
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   14 and name  HB1) 3.471 1.506 1.506 weight 1.000 ! spec=2dnoesy, no=274, id=1319, vol=1.819300e+01
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   14 and name  HB2) 3.215 1.292 1.292 weight 1.000 ! spec=2dnoesy, no=275, id=1320, vol=2.882800e+01
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   53 and name  HB2) 4.366 2.383 2.383 weight 1.000 ! spec=2dnoesy, no=278, id=1323, vol=4.592000e+00
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   43 and name HD22) 6.450 5.200 5.200 weight 1.000 ! spec=2dnoesy, no=282, id=1327, vol=4.420000e-01
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid    6 and name  HD1) (segid "AAAA" and resid    6 and name  HB1) 3.787 1.793 1.793 weight 1.000 ! spec=2dnoesy, no=286, id=1331, vol=1.077700e+01
    or (segid "AAAA" and resid    6 and name  HD2) (segid "AAAA" and resid    6 and name  HB1)
assign (segid "AAAA" and resid    6 and name  HE1) (segid "AAAA" and resid    6 and name  HB2) 4.559 2.598 2.598 weight 1.000 ! spec=2dnoesy, no=287, id=1332, vol=3.543000e+00
    or (segid "AAAA" and resid    6 and name  HE2) (segid "AAAA" and resid    6 and name  HB2)
assign (segid "AAAA" and resid   53 and name  HD1) (segid "AAAA" and resid   50 and name  HG1) 3.841 1.844 1.844 weight 1.000 ! spec=2dnoesy, no=288, id=1333, vol=9.903000e+00
    or (segid "AAAA" and resid   53 and name  HD2) (segid "AAAA" and resid   50 and name  HG1)
assign (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   43 and name HD22) 3.520 1.548 1.548 weight 1.000 ! spec=2dnoesy, no=290, id=1335, vol=1.673500e+01
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   33 and name   HZ) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   49 and name  HB2) 4.342 2.357 2.357 weight 1.000 ! spec=2dnoesy, no=291, id=1336, vol=4.745000e+00
assign (segid "AAAA" and resid   14 and name  HD1) (segid "AAAA" and resid   53 and name  HB1) 4.170 2.173 2.173 weight 1.000 ! spec=2dnoesy, no=292, id=1337, vol=6.054000e+00
assign (segid "BBBB" and resid   79 and name   HB) (segid "BBBB" and resid   79 and name   HA) 1.962 0.481 0.481 weight 1.000 ! spec=cc4dnoesy, no=1, id=1, vol=1.244306e+02
assign (segid "AAAA" and resid   18 and name   HA) (segid "AAAA" and resid   18 and name  HB2) 2.354 0.693 0.693 weight 1.000 ! spec=cc4dnoesy, no=4, id=4, vol=4.174090e+01
assign (segid "AAAA" and resid   14 and name  HB1) (segid "AAAA" and resid   14 and name   HA) 3.565 1.589 1.589 weight 1.000 ! spec=cc4dnoesy, no=7, id=7, vol=3.459500e+00
assign (segid "BBBB" and resid   76 and name   HA) (segid "BBBB" and resid   76 and name HD12) 2.265 0.642 0.642 weight 1.000 ! spec=cc4dnoesy, no=12, id=12, vol=5.256890e+01
    or (segid "BBBB" and resid   76 and name   HA) (segid "BBBB" and resid   76 and name HD11)
    or (segid "BBBB" and resid   76 and name   HA) (segid "BBBB" and resid   76 and name HD13)
assign (segid "AAAA" and resid   26 and name   HA) (segid "AAAA" and resid   26 and name  HB2) 2.643 0.873 0.873 weight 1.000 ! spec=cc4dnoesy, no=13, id=13, vol=2.082490e+01
assign (segid "BBBB" and resid   99 and name   HA) (segid "BBBB" and resid   99 and name  HB2) 1.822 0.415 0.415 weight 1.000 ! spec=cc4dnoesy, no=15, id=15, vol=1.944789e+02
    or (segid "BBBB" and resid   99 and name   HA) (segid "BBBB" and resid   99 and name  HB1)
    or (segid "BBBB" and resid   99 and name   HA) (segid "BBBB" and resid   99 and name  HB3)
assign (segid "BBBB" and resid   96 and name  HB1) (segid "BBBB" and resid   96 and name   HA) 2.130 0.567 0.567 weight 1.000 ! spec=cc4dnoesy, no=18, id=18, vol=7.612540e+01
assign (segid "BBBB" and resid   93 and name   HA) (segid "BBBB" and resid   93 and name  HB2) 2.259 0.638 0.638 weight 1.000 ! spec=cc4dnoesy, no=19, id=19, vol=5.344890e+01
assign (segid "BBBB" and resid   93 and name   HA) (segid "BBBB" and resid   93 and name  HB1) 2.659 0.884 0.884 weight 1.000 ! spec=cc4dnoesy, no=20, id=20, vol=2.009390e+01
assign (segid "AAAA" and resid   11 and name  HB2) (segid "AAAA" and resid   11 and name   HA) 2.323 0.674 0.674 weight 1.000 ! spec=cc4dnoesy, no=22, id=22, vol=4.527010e+01
assign (segid "AAAA" and resid   24 and name   HA) (segid "AAAA" and resid   24 and name  HB1) 2.152 0.579 0.579 weight 1.000 ! spec=cc4dnoesy, no=25, id=25, vol=7.144880e+01
assign (segid "AAAA" and resid   24 and name   HA) (segid "AAAA" and resid   24 and name  HB2) 2.373 0.704 0.704 weight 1.000 ! spec=cc4dnoesy, no=26, id=26, vol=3.980630e+01
assign (segid "AAAA" and resid   21 and name   HA) (segid "AAAA" and resid   21 and name  HB1) 2.467 0.761 0.761 weight 1.000 ! spec=cc4dnoesy, no=27, id=27, vol=3.148970e+01
assign (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   84 and name  HG1) 3.490 1.522 1.522 weight 1.000 ! spec=cc4dnoesy, no=30, id=28, vol=3.934100e+00
assign (segid "AAAA" and resid   52 and name HG11) (segid "AAAA" and resid   52 and name HG12) 2.454 0.753 0.753 weight 1.000 ! spec=cc4dnoesy, no=32, id=30, vol=3.254720e+01
assign (segid "AAAA" and resid   36 and name   HA) (segid "AAAA" and resid   36 and name  HB2) 1.935 0.468 0.468 weight 1.000 ! spec=cc4dnoesy, no=34, id=32, vol=1.354324e+02
    or (segid "AAAA" and resid   36 and name   HA) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   36 and name   HA) (segid "AAAA" and resid   36 and name  HB3)
assign (segid "AAAA" and resid   52 and name HG11) (segid "AAAA" and resid   52 and name HG22) 3.425 1.466 1.466 weight 1.000 ! spec=cc4dnoesy, no=35, id=33, vol=4.401400e+00
    or (segid "AAAA" and resid   52 and name HG11) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   52 and name HG11) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   42 and name  HB1) (segid "AAAA" and resid   38 and name HG22) 2.618 0.857 0.857 weight 1.000 ! spec=cc4dnoesy, no=37, id=35, vol=2.205370e+01
    or (segid "AAAA" and resid   42 and name  HB1) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   42 and name  HB1) (segid "AAAA" and resid   38 and name HG23)
assign (segid "AAAA" and resid   42 and name  HB2) (segid "AAAA" and resid   38 and name HG22) 2.772 0.961 0.961 weight 1.000 ! spec=cc4dnoesy, no=38, id=36, vol=1.566050e+01
    or (segid "AAAA" and resid   42 and name  HB2) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   42 and name  HB2) (segid "AAAA" and resid   38 and name HG23)
assign (segid "AAAA" and resid   52 and name HG11) (segid "AAAA" and resid   52 and name HD12) 2.286 0.653 0.653 weight 1.000 ! spec=cc4dnoesy, no=41, id=39, vol=4.978420e+01
    or (segid "AAAA" and resid   52 and name HG11) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   52 and name HG11) (segid "AAAA" and resid   52 and name HD13)
assign (segid "BBBB" and resid   90 and name  HB2) (segid "BBBB" and resid   90 and name  HB1) 2.020 0.510 0.510 weight 1.000 ! spec=cc4dnoesy, no=44, id=42, vol=1.046443e+02
assign (segid "AAAA" and resid   42 and name  HB2) (segid "AAAA" and resid   42 and name  HB1) 2.330 0.679 0.679 weight 1.000 ! spec=cc4dnoesy, no=45, id=43, vol=4.440010e+01
assign (segid "AAAA" and resid   15 and name   HA) (segid "AAAA" and resid   16 and name  HD1) 2.284 0.652 0.652 weight 1.000 ! spec=cc4dnoesy, no=61, id=59, vol=5.010880e+01
assign (segid "AAAA" and resid   15 and name   HA) (segid "AAAA" and resid   15 and name  HB2) 2.308 0.666 0.666 weight 1.000 ! spec=cc4dnoesy, no=65, id=63, vol=4.703480e+01
assign (segid "BBBB" and resid  103 and name  HD2) (segid "BBBB" and resid  102 and name   HA) 2.130 0.567 0.567 weight 1.000 ! spec=cc4dnoesy, no=67, id=65, vol=7.599260e+01
assign (segid "AAAA" and resid   57 and name  HB1) (segid "AAAA" and resid   54 and name   HA) 3.291 1.353 1.353 weight 1.000 ! spec=cc4dnoesy, no=70, id=68, vol=5.597400e+00
assign (segid "AAAA" and resid   56 and name HG11) (segid "AAAA" and resid   56 and name HD12) 2.172 0.590 0.590 weight 1.000 ! spec=cc4dnoesy, no=71, id=69, vol=6.771480e+01
    or (segid "AAAA" and resid   56 and name HG11) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   56 and name HG11) (segid "AAAA" and resid   56 and name HD13)
assign (segid "BBBB" and resid   94 and name  HD1) (segid "BBBB" and resid   94 and name  HG1) 2.397 0.718 0.718 weight 1.000 ! spec=cc4dnoesy, no=75, id=73, vol=3.744640e+01
assign (segid "BBBB" and resid   77 and name  HD2) (segid "BBBB" and resid   76 and name HD12) 2.964 1.098 1.098 weight 1.000 ! spec=cc4dnoesy, no=76, id=74, vol=1.047130e+01
    or (segid "BBBB" and resid   77 and name  HD2) (segid "BBBB" and resid   76 and name HD11)
    or (segid "BBBB" and resid   77 and name  HD2) (segid "BBBB" and resid   76 and name HD13)
assign (segid "BBBB" and resid  104 and name  HD1) (segid "BBBB" and resid  103 and name   HA) 2.174 0.591 0.591 weight 1.000 ! spec=cc4dnoesy, no=79, id=77, vol=6.738470e+01
assign (segid "AAAA" and resid   15 and name   HA) (segid "AAAA" and resid   16 and name  HD2) 2.172 0.590 0.590 weight 1.000 ! spec=cc4dnoesy, no=82, id=80, vol=6.774210e+01
assign (segid "BBBB" and resid  105 and name   HA) (segid "BBBB" and resid  106 and name  HD1) 2.230 0.621 0.621 weight 1.000 ! spec=cc4dnoesy, no=83, id=81, vol=5.785240e+01
assign (segid "BBBB" and resid  105 and name   HA) (segid "BBBB" and resid  106 and name  HD2) 2.303 0.663 0.663 weight 1.000 ! spec=cc4dnoesy, no=87, id=85, vol=4.766420e+01
assign (segid "AAAA" and resid   16 and name  HD1) (segid "AAAA" and resid   16 and name  HD2) 1.959 0.480 0.480 weight 1.000 ! spec=cc4dnoesy, no=89, id=87, vol=1.255399e+02
assign (segid "AAAA" and resid   16 and name  HD2) (segid "AAAA" and resid   15 and name  HB2) 3.559 1.583 1.583 weight 1.000 ! spec=cc4dnoesy, no=95, id=93, vol=3.497900e+00
assign (segid "BBBB" and resid   82 and name  HG2) (segid "BBBB" and resid   82 and name  HD2) 2.602 0.847 0.847 weight 1.000 ! spec=cc4dnoesy, no=96, id=94, vol=2.287170e+01
assign (segid "BBBB" and resid   82 and name  HG1) (segid "BBBB" and resid   82 and name  HD2) 2.237 0.625 0.625 weight 1.000 ! spec=cc4dnoesy, no=98, id=96, vol=5.673590e+01
assign (segid "AAAA" and resid   50 and name  HD2) (segid "AAAA" and resid   50 and name  HE2) 2.299 0.660 0.660 weight 1.000 ! spec=cc4dnoesy, no=99, id=97, vol=4.816840e+01
assign (segid "AAAA" and resid   50 and name  HD1) (segid "AAAA" and resid   50 and name  HE2) 2.203 0.607 0.607 weight 1.000 ! spec=cc4dnoesy, no=100, id=98, vol=6.209630e+01
assign (segid "BBBB" and resid  106 and name  HD1) (segid "BBBB" and resid  105 and name  HB2) 3.257 1.326 1.326 weight 1.000 ! spec=cc4dnoesy, no=103, id=100, vol=5.955400e+00
    or (segid "BBBB" and resid  106 and name  HD1) (segid "BBBB" and resid  105 and name  HB1)
    or (segid "BBBB" and resid  106 and name  HD1) (segid "BBBB" and resid  105 and name  HB3)
assign (segid "BBBB" and resid  106 and name  HD2) (segid "BBBB" and resid  105 and name  HB2) 2.586 0.836 0.836 weight 1.000 ! spec=cc4dnoesy, no=104, id=101, vol=2.375060e+01
    or (segid "BBBB" and resid  106 and name  HD2) (segid "BBBB" and resid  105 and name  HB1)
    or (segid "BBBB" and resid  106 and name  HD2) (segid "BBBB" and resid  105 and name  HB3)
assign (segid "BBBB" and resid   94 and name  HD1) (segid "BBBB" and resid   94 and name  HG2) 2.395 0.717 0.717 weight 1.000 ! spec=cc4dnoesy, no=106, id=103, vol=3.763390e+01
assign (segid "AAAA" and resid   38 and name HG12) (segid "AAAA" and resid   38 and name HG11) 1.982 0.491 0.491 weight 1.000 ! spec=cc4dnoesy, no=108, id=105, vol=1.170650e+02
assign (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   38 and name   HB) 2.981 1.111 1.111 weight 1.000 ! spec=cc4dnoesy, no=112, id=109, vol=1.012410e+01
assign (segid "AAAA" and resid   38 and name HG12) (segid "AAAA" and resid   38 and name   HB) 2.770 0.959 0.959 weight 1.000 ! spec=cc4dnoesy, no=114, id=111, vol=1.573180e+01
assign (segid "AAAA" and resid   35 and name  HG2) (segid "BBBB" and resid   80 and name  HB2) 3.516 1.546 1.546 weight 1.000 ! spec=cc4dnoesy, no=126, id=123, vol=3.758700e+00
    or (segid "AAAA" and resid   35 and name  HG2) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HG2) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "AAAA" and resid   30 and name  HG1) (segid "AAAA" and resid   30 and name   HA) 2.478 0.768 0.768 weight 1.000 ! spec=cc4dnoesy, no=127, id=124, vol=3.065630e+01
assign (segid "BBBB" and resid   76 and name   HG) (segid "BBBB" and resid   76 and name HD22) 2.121 0.562 0.562 weight 1.000 ! spec=cc4dnoesy, no=134, id=131, vol=7.808460e+01
    or (segid "BBBB" and resid   76 and name   HG) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   76 and name   HG) (segid "BBBB" and resid   76 and name HD23)
assign (segid "BBBB" and resid   76 and name   HG) (segid "BBBB" and resid   76 and name HD12) 2.135 0.570 0.570 weight 1.000 ! spec=cc4dnoesy, no=135, id=132, vol=7.505210e+01
    or (segid "BBBB" and resid   76 and name   HG) (segid "BBBB" and resid   76 and name HD11)
    or (segid "BBBB" and resid   76 and name   HG) (segid "BBBB" and resid   76 and name HD13)
assign (segid "AAAA" and resid   62 and name   HG) (segid "AAAA" and resid   62 and name HD22) 2.118 0.561 0.561 weight 1.000 ! spec=cc4dnoesy, no=136, id=133, vol=7.866460e+01
    or (segid "AAAA" and resid   62 and name   HG) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   62 and name   HG) (segid "AAAA" and resid   62 and name HD23)
assign (segid "BBBB" and resid  104 and name  HG1) (segid "BBBB" and resid  104 and name   HA) 2.899 1.050 1.050 weight 1.000 ! spec=cc4dnoesy, no=138, id=135, vol=1.198000e+01
assign (segid "AAAA" and resid   66 and name  HG1) (segid "AAAA" and resid   66 and name   HA) 2.587 0.836 0.836 weight 1.000 ! spec=cc4dnoesy, no=142, id=139, vol=2.372450e+01
assign (segid "AAAA" and resid   66 and name  HG1) (segid "AAAA" and resid   63 and name   HA) 3.171 1.257 1.257 weight 1.000 ! spec=cc4dnoesy, no=145, id=142, vol=6.983400e+00
assign (segid "AAAA" and resid   62 and name   HG) (segid "AAAA" and resid   62 and name   HA) 2.676 0.895 0.895 weight 1.000 ! spec=cc4dnoesy, no=146, id=143, vol=1.933550e+01
assign (segid "BBBB" and resid   87 and name   HG) (segid "BBBB" and resid   87 and name HD22) 2.073 0.537 0.537 weight 1.000 ! spec=cc4dnoesy, no=152, id=149, vol=8.962560e+01
    or (segid "BBBB" and resid   87 and name   HG) (segid "BBBB" and resid   87 and name HD21)
    or (segid "BBBB" and resid   87 and name   HG) (segid "BBBB" and resid   87 and name HD23)
assign (segid "AAAA" and resid   51 and name   HG) (segid "AAAA" and resid   51 and name HD22) 2.142 0.573 0.573 weight 1.000 ! spec=cc4dnoesy, no=153, id=150, vol=7.362590e+01
    or (segid "AAAA" and resid   51 and name   HG) (segid "AAAA" and resid   51 and name HD21)
    or (segid "AAAA" and resid   51 and name   HG) (segid "AAAA" and resid   51 and name HD23)
assign (segid "BBBB" and resid   92 and name HG12) (segid "BBBB" and resid   92 and name HG22) 2.795 0.976 0.976 weight 1.000 ! spec=cc4dnoesy, no=156, id=153, vol=1.491290e+01
    or (segid "BBBB" and resid   92 and name HG12) (segid "BBBB" and resid   92 and name HG21)
    or (segid "BBBB" and resid   92 and name HG12) (segid "BBBB" and resid   92 and name HG23)
assign (segid "BBBB" and resid  102 and name HG12) (segid "BBBB" and resid  102 and name   HB) 3.282 1.346 1.346 weight 1.000 ! spec=cc4dnoesy, no=158, id=155, vol=5.686500e+00
assign (segid "BBBB" and resid   90 and name  HB2) (segid "AAAA" and resid   51 and name HD12) 3.062 1.172 1.172 weight 1.000 ! spec=cc4dnoesy, no=161, id=158, vol=8.615700e+00
    or (segid "BBBB" and resid   90 and name  HB2) (segid "AAAA" and resid   51 and name HD11)
    or (segid "BBBB" and resid   90 and name  HB2) (segid "AAAA" and resid   51 and name HD13)
assign (segid "AAAA" and resid   51 and name HD12) (segid "BBBB" and resid   90 and name  HB1) 2.957 1.093 1.093 weight 1.000 ! spec=cc4dnoesy, no=162, id=159, vol=1.062310e+01
    or (segid "AAAA" and resid   51 and name HD11) (segid "BBBB" and resid   90 and name  HB1)
    or (segid "AAAA" and resid   51 and name HD13) (segid "BBBB" and resid   90 and name  HB1)
assign (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   51 and name   HG) 2.102 0.552 0.552 weight 1.000 ! spec=cc4dnoesy, no=163, id=160, vol=8.242480e+01
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   51 and name   HG)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   51 and name   HG)
assign (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name HD22) 2.150 0.578 0.578 weight 1.000 ! spec=cc4dnoesy, no=164, id=161, vol=7.193860e+01
    or (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   51 and name HD22) 1.879 0.441 0.441 weight 1.000 ! spec=cc4dnoesy, no=167, id=164, vol=1.616798e+02
    or (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   51 and name HD21)
    or (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   51 and name HD23)
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   51 and name HD22)
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   51 and name HD21)
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   51 and name HD23)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   51 and name HD22)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   51 and name HD21)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   51 and name HD23)
assign (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name  HB2) 3.212 1.290 1.290 weight 1.000 ! spec=cc4dnoesy, no=173, id=170, vol=6.468800e+00
assign (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   51 and name   HA) 3.389 1.435 1.435 weight 1.000 ! spec=cc4dnoesy, no=176, id=173, vol=4.693200e+00
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   51 and name   HA)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   51 and name   HA)
assign (segid "BBBB" and resid   83 and name HD22) (segid "BBBB" and resid   80 and name   HA) 3.122 1.218 1.218 weight 1.000 ! spec=cc4dnoesy, no=178, id=174, vol=7.673300e+00
    or (segid "BBBB" and resid   83 and name HD21) (segid "BBBB" and resid   80 and name   HA)
    or (segid "BBBB" and resid   83 and name HD23) (segid "BBBB" and resid   80 and name   HA)
assign (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   43 and name HD22) 2.148 0.577 0.577 weight 1.000 ! spec=cc4dnoesy, no=181, id=177, vol=7.229400e+01
    or (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   43 and name  HB1) 2.378 0.707 0.707 weight 1.000 ! spec=cc4dnoesy, no=186, id=182, vol=3.927840e+01
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   43 and name  HB1)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   43 and name  HB1)
assign (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   43 and name  HB2) 2.620 0.858 0.858 weight 1.000 ! spec=cc4dnoesy, no=187, id=183, vol=2.195400e+01
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   43 and name  HB2)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   43 and name  HB2)
assign (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   22 and name HG12) 2.351 0.691 0.691 weight 1.000 ! spec=cc4dnoesy, no=190, id=185, vol=4.207060e+01
    or (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   22 and name HG11)
    or (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   22 and name HG13)
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   22 and name HG12)
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   22 and name HG11)
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   22 and name HG13)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   22 and name HG12)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   22 and name HG11)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   22 and name HG13)
assign (segid "AAAA" and resid   62 and name HD12) (segid "AAAA" and resid   62 and name  HB1) 1.980 0.490 0.490 weight 1.000 ! spec=cc4dnoesy, no=191, id=186, vol=1.179167e+02
    or (segid "AAAA" and resid   62 and name HD11) (segid "AAAA" and resid   62 and name  HB1)
    or (segid "AAAA" and resid   62 and name HD13) (segid "AAAA" and resid   62 and name  HB1)
assign (segid "BBBB" and resid   87 and name HD22) (segid "AAAA" and resid   52 and name HG12) 3.231 1.305 1.305 weight 1.000 ! spec=cc4dnoesy, no=195, id=190, vol=6.244100e+00
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   52 and name HG12)
    or (segid "BBBB" and resid   87 and name HD23) (segid "AAAA" and resid   52 and name HG12)
assign (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name HD12) 2.011 0.505 0.505 weight 1.000 ! spec=cc4dnoesy, no=196, id=191, vol=1.074826e+02
    or (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name HD13)
assign (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD22) 2.313 0.669 0.669 weight 1.000 ! spec=cc4dnoesy, no=197, id=192, vol=4.640870e+01
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD21)
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD23)
assign (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD12) 2.408 0.725 0.725 weight 1.000 ! spec=cc4dnoesy, no=198, id=193, vol=3.644360e+01
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   43 and name HD22) 3.603 1.623 1.623 weight 1.000 ! spec=cc4dnoesy, no=199, id=194, vol=3.247500e+00
    or (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   43 and name HD22) 3.504 1.535 1.535 weight 1.000 ! spec=cc4dnoesy, no=200, id=195, vol=3.839200e+00
    or (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   43 and name HD23)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   43 and name HD22)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   44 and name   HB) (segid "AAAA" and resid   44 and name HG21) 1.937 0.469 0.469 weight 1.000 ! spec=cc4dnoesy, no=205, id=200, vol=1.347088e+02
    or (segid "AAAA" and resid   44 and name   HB) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   44 and name   HB) (segid "AAAA" and resid   44 and name HG23)
assign (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   65 and name HG12) 2.292 0.657 0.657 weight 1.000 ! spec=cc4dnoesy, no=206, id=201, vol=4.901550e+01
    or (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   65 and name HG13)
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   65 and name HG12)
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   65 and name HG13)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   65 and name HG12)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   65 and name HG13)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   25 and name  HB2) 2.413 0.728 0.728 weight 1.000 ! spec=cc4dnoesy, no=207, id=202, vol=3.602530e+01
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   25 and name  HB2)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   25 and name  HB2)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   25 and name  HB1) 2.524 0.796 0.796 weight 1.000 ! spec=cc4dnoesy, no=208, id=203, vol=2.746980e+01
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   25 and name  HB1)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   25 and name  HB1)
assign (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   32 and name  HB2) 2.403 0.722 0.722 weight 1.000 ! spec=cc4dnoesy, no=215, id=210, vol=3.692650e+01
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   32 and name  HB2)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   32 and name  HB2)
assign (segid "BBBB" and resid   87 and name HD22) (segid "BBBB" and resid   87 and name  HB2) 2.519 0.793 0.793 weight 1.000 ! spec=cc4dnoesy, no=219, id=214, vol=2.782610e+01
    or (segid "BBBB" and resid   87 and name HD21) (segid "BBBB" and resid   87 and name  HB2)
    or (segid "BBBB" and resid   87 and name HD23) (segid "BBBB" and resid   87 and name  HB2)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   30 and name   HA) 2.849 1.015 1.015 weight 1.000 ! spec=cc4dnoesy, no=220, id=215, vol=1.329140e+01
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   30 and name   HA)
assign (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   29 and name   HA) 2.939 1.080 1.080 weight 1.000 ! spec=cc4dnoesy, no=223, id=218, vol=1.102030e+01
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   29 and name   HA)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   29 and name   HA)
assign (segid "BBBB" and resid   76 and name HD22) (segid "BBBB" and resid   76 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=cc4dnoesy, no=226, id=221, vol=1.443000e+01
    or (segid "BBBB" and resid   76 and name HD21) (segid "BBBB" and resid   76 and name   HA)
    or (segid "BBBB" and resid   76 and name HD23) (segid "BBBB" and resid   76 and name   HA)
assign (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   30 and name   HA) 2.721 0.925 0.925 weight 1.000 ! spec=cc4dnoesy, no=229, id=224, vol=1.752110e+01
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   30 and name   HA)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   30 and name   HA)
assign (segid "AAAA" and resid   50 and name  HG1) (segid "AAAA" and resid   50 and name  HE2) 2.560 0.819 0.819 weight 1.000 ! spec=cc4dnoesy, no=231, id=226, vol=2.523090e+01
assign (segid "AAAA" and resid   48 and name   HB) (segid "AAAA" and resid   48 and name HG21) 2.144 0.575 0.575 weight 1.000 ! spec=cc4dnoesy, no=234, id=229, vol=7.307940e+01
    or (segid "AAAA" and resid   48 and name   HB) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   48 and name   HB) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   48 and name   HB) (segid "AAAA" and resid   45 and name  HB1) 2.469 0.762 0.762 weight 1.000 ! spec=cc4dnoesy, no=235, id=230, vol=3.133600e+01
assign (segid "BBBB" and resid   77 and name  HD1) (segid "BBBB" and resid   76 and name HD12) 3.157 1.246 1.246 weight 1.000 ! spec=cc4dnoesy, no=237, id=232, vol=7.172100e+00
    or (segid "BBBB" and resid   77 and name  HD1) (segid "BBBB" and resid   76 and name HD11)
    or (segid "BBBB" and resid   77 and name  HD1) (segid "BBBB" and resid   76 and name HD13)
assign (segid "AAAA" and resid   59 and name  HB2) (segid "AAAA" and resid   65 and name HG22) 2.618 0.857 0.857 weight 1.000 ! spec=cc4dnoesy, no=239, id=234, vol=2.205180e+01
    or (segid "AAAA" and resid   59 and name  HB2) (segid "AAAA" and resid   65 and name HG21)
    or (segid "AAAA" and resid   59 and name  HB2) (segid "AAAA" and resid   65 and name HG23)
assign (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   48 and name   HA) 2.696 0.909 0.909 weight 1.000 ! spec=cc4dnoesy, no=240, id=235, vol=1.849390e+01
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   48 and name   HA)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   48 and name   HA)
assign (segid "AAAA" and resid   32 and name HD22) (segid "AAAA" and resid   32 and name HD12) 1.834 0.420 0.420 weight 1.000 ! spec=cc4dnoesy, no=241, id=236, vol=1.868999e+02
    or (segid "AAAA" and resid   32 and name HD22) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   32 and name HD22) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   32 and name HD21) (segid "AAAA" and resid   32 and name HD12)
    or (segid "AAAA" and resid   32 and name HD21) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   32 and name HD21) (segid "AAAA" and resid   32 and name HD13)
    or (segid "AAAA" and resid   32 and name HD23) (segid "AAAA" and resid   32 and name HD12)
    or (segid "AAAA" and resid   32 and name HD23) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   32 and name HD23) (segid "AAAA" and resid   32 and name HD13)
assign (segid "AAAA" and resid   48 and name   HA) (segid "BBBB" and resid   92 and name HD12) 3.123 1.219 1.219 weight 1.000 ! spec=cc4dnoesy, no=247, id=242, vol=7.665000e+00
    or (segid "AAAA" and resid   48 and name   HA) (segid "BBBB" and resid   92 and name HD11)
    or (segid "AAAA" and resid   48 and name   HA) (segid "BBBB" and resid   92 and name HD13)
assign (segid "AAAA" and resid   51 and name HD22) (segid "BBBB" and resid   90 and name  HB1) 3.281 1.346 1.346 weight 1.000 ! spec=cc4dnoesy, no=251, id=246, vol=5.693700e+00
    or (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   90 and name  HB1)
    or (segid "AAAA" and resid   51 and name HD23) (segid "BBBB" and resid   90 and name  HB1)
assign (segid "AAAA" and resid   43 and name   HG) (segid "AAAA" and resid   43 and name HD22) 2.423 0.734 0.734 weight 1.000 ! spec=cc4dnoesy, no=254, id=249, vol=3.515340e+01
    or (segid "AAAA" and resid   43 and name   HG) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   43 and name   HG) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   51 and name HD22) (segid "AAAA" and resid   51 and name  HB1) 2.749 0.945 0.945 weight 1.000 ! spec=cc4dnoesy, no=260, id=255, vol=1.647010e+01
    or (segid "AAAA" and resid   51 and name HD21) (segid "AAAA" and resid   51 and name  HB1)
    or (segid "AAAA" and resid   51 and name HD23) (segid "AAAA" and resid   51 and name  HB1)
assign (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   43 and name  HB1) 3.080 1.186 1.186 weight 1.000 ! spec=cc4dnoesy, no=261, id=256, vol=8.324500e+00
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   43 and name  HB1)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   43 and name  HB1)
assign (segid "BBBB" and resid   87 and name HD12) (segid "AAAA" and resid   52 and name HG12) 3.000 1.125 1.125 weight 1.000 ! spec=cc4dnoesy, no=270, id=265, vol=9.742800e+00
    or (segid "BBBB" and resid   87 and name HD11) (segid "AAAA" and resid   52 and name HG12)
    or (segid "BBBB" and resid   87 and name HD13) (segid "AAAA" and resid   52 and name HG12)
assign (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name HD12) 2.240 0.627 0.627 weight 1.000 ! spec=cc4dnoesy, no=271, id=266, vol=5.628670e+01
    or (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   29 and name HD12) 1.722 0.371 0.371 weight 1.000 ! spec=cc4dnoesy, no=272, id=267, vol=2.725288e+02
    or (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   29 and name HD12) (segid "AAAA" and resid   12 and name HG12) 2.685 0.901 0.901 weight 1.000 ! spec=cc4dnoesy, no=273, id=268, vol=1.897390e+01
    or (segid "AAAA" and resid   29 and name HD12) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   29 and name HD12) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   29 and name HD11) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   29 and name HD11) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   29 and name HD11) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   29 and name HD13) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   29 and name HD13) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   29 and name HD13) (segid "AAAA" and resid   12 and name HG13)
assign (segid "BBBB" and resid   87 and name HD12) (segid "AAAA" and resid   51 and name  HB1) 2.616 0.856 0.856 weight 1.000 ! spec=cc4dnoesy, no=274, id=269, vol=2.215570e+01
    or (segid "BBBB" and resid   87 and name HD11) (segid "AAAA" and resid   51 and name  HB1)
    or (segid "BBBB" and resid   87 and name HD13) (segid "AAAA" and resid   51 and name  HB1)
assign (segid "AAAA" and resid   29 and name HD12) (segid "AAAA" and resid   29 and name  HB1) 2.536 0.804 0.804 weight 1.000 ! spec=cc4dnoesy, no=275, id=270, vol=2.669990e+01
    or (segid "AAAA" and resid   29 and name HD11) (segid "AAAA" and resid   29 and name  HB1)
    or (segid "AAAA" and resid   29 and name HD13) (segid "AAAA" and resid   29 and name  HB1)
assign (segid "AAAA" and resid   29 and name HD12) (segid "AAAA" and resid   29 and name  HB2) 2.545 0.810 0.810 weight 1.000 ! spec=cc4dnoesy, no=276, id=271, vol=2.612440e+01
    or (segid "AAAA" and resid   29 and name HD11) (segid "AAAA" and resid   29 and name  HB2)
    or (segid "AAAA" and resid   29 and name HD13) (segid "AAAA" and resid   29 and name  HB2)
assign (segid "BBBB" and resid   87 and name HD12) (segid "BBBB" and resid   87 and name  HB1) 2.761 0.953 0.953 weight 1.000 ! spec=cc4dnoesy, no=277, id=272, vol=1.603000e+01
    or (segid "BBBB" and resid   87 and name HD11) (segid "BBBB" and resid   87 and name  HB1)
    or (segid "BBBB" and resid   87 and name HD13) (segid "BBBB" and resid   87 and name  HB1)
assign (segid "BBBB" and resid   87 and name HD12) (segid "BBBB" and resid   87 and name  HB2) 2.698 0.910 0.910 weight 1.000 ! spec=cc4dnoesy, no=278, id=273, vol=1.841100e+01
    or (segid "BBBB" and resid   87 and name HD11) (segid "BBBB" and resid   87 and name  HB2)
    or (segid "BBBB" and resid   87 and name HD13) (segid "BBBB" and resid   87 and name  HB2)
assign (segid "BBBB" and resid   87 and name HD12) (segid "BBBB" and resid   92 and name   HB) 2.811 0.987 0.987 weight 1.000 ! spec=cc4dnoesy, no=279, id=274, vol=1.441370e+01
    or (segid "BBBB" and resid   87 and name HD11) (segid "BBBB" and resid   92 and name   HB)
    or (segid "BBBB" and resid   87 and name HD13) (segid "BBBB" and resid   92 and name   HB)
assign (segid "AAAA" and resid   65 and name   HB) (segid "AAAA" and resid   65 and name   HA) 2.561 0.820 0.820 weight 1.000 ! spec=cc4dnoesy, no=282, id=277, vol=2.518090e+01
assign (segid "AAAA" and resid   48 and name HG21) (segid "AAAA" and resid   42 and name  HB1) 3.035 1.152 1.152 weight 1.000 ! spec=cc4dnoesy, no=285, id=280, vol=9.089600e+00
    or (segid "AAAA" and resid   48 and name HG22) (segid "AAAA" and resid   42 and name  HB1)
    or (segid "AAAA" and resid   48 and name HG23) (segid "AAAA" and resid   42 and name  HB1)
assign (segid "AAAA" and resid   68 and name  HB2) (segid "AAAA" and resid   65 and name   HA) 2.336 0.682 0.682 weight 1.000 ! spec=cc4dnoesy, no=286, id=281, vol=4.376090e+01
assign (segid "AAAA" and resid   16 and name  HD1) (segid "AAAA" and resid   15 and name  HB2) 2.670 0.891 0.891 weight 1.000 ! spec=cc4dnoesy, no=290, id=285, vol=1.960390e+01
assign (segid "BBBB" and resid   87 and name HD22) (segid "AAAA" and resid   48 and name HG21) 2.526 0.798 0.798 weight 1.000 ! spec=cc4dnoesy, no=292, id=287, vol=2.735730e+01
    or (segid "BBBB" and resid   87 and name HD22) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   87 and name HD22) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   87 and name HD21) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   87 and name HD23) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   87 and name HD23) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   87 and name HD23) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   48 and name   HA) (segid "AAAA" and resid   48 and name HG21) 2.231 0.622 0.622 weight 1.000 ! spec=cc4dnoesy, no=295, id=290, vol=5.766990e+01
    or (segid "AAAA" and resid   48 and name   HA) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   48 and name   HA) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   65 and name HG22) (segid "AAAA" and resid   65 and name   HA) 2.056 0.528 0.528 weight 1.000 ! spec=cc4dnoesy, no=296, id=291, vol=9.415560e+01
    or (segid "AAAA" and resid   65 and name HG21) (segid "AAAA" and resid   65 and name   HA)
    or (segid "AAAA" and resid   65 and name HG23) (segid "AAAA" and resid   65 and name   HA)
assign (segid "AAAA" and resid   60 and name  HA1) (segid "AAAA" and resid   60 and name  HA2) 1.906 0.454 0.454 weight 1.000 ! spec=cc4dnoesy, no=300, id=295, vol=1.482629e+02
assign (segid "AAAA" and resid   65 and name   HA) (segid "AAAA" and resid   65 and name HG12) 2.424 0.735 0.735 weight 1.000 ! spec=cc4dnoesy, no=302, id=297, vol=3.500000e+01
    or (segid "AAAA" and resid   65 and name   HA) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   65 and name   HA) (segid "AAAA" and resid   65 and name HG13)
assign (segid "AAAA" and resid   48 and name HG21) (segid "AAAA" and resid   52 and name HD12) 2.304 0.664 0.664 weight 1.000 ! spec=cc4dnoesy, no=306, id=301, vol=4.747380e+01
    or (segid "AAAA" and resid   48 and name HG21) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   48 and name HG21) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   48 and name HG22) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   48 and name HG22) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   48 and name HG22) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   48 and name HG23) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   48 and name HG23) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   48 and name HG23) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   48 and name HG21) (segid "AAAA" and resid   42 and name  HG2) 2.816 0.991 0.991 weight 1.000 ! spec=cc4dnoesy, no=307, id=302, vol=1.424600e+01
    or (segid "AAAA" and resid   48 and name HG22) (segid "AAAA" and resid   42 and name  HG2)
    or (segid "AAAA" and resid   48 and name HG23) (segid "AAAA" and resid   42 and name  HG2)
assign (segid "AAAA" and resid   52 and name   HA) (segid "AAAA" and resid   52 and name HG12) 2.821 0.995 0.995 weight 1.000 ! spec=cc4dnoesy, no=311, id=306, vol=1.409760e+01
assign (segid "BBBB" and resid   83 and name   HG) (segid "BBBB" and resid   83 and name HD12) 2.180 0.594 0.594 weight 1.000 ! spec=cc4dnoesy, no=312, id=307, vol=6.623090e+01
    or (segid "BBBB" and resid   83 and name   HG) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   83 and name   HG) (segid "BBBB" and resid   83 and name HD13)
assign (segid "BBBB" and resid   83 and name HD22) (segid "BBBB" and resid   83 and name HD12) 2.053 0.527 0.527 weight 1.000 ! spec=cc4dnoesy, no=313, id=308, vol=9.498850e+01
    or (segid "BBBB" and resid   83 and name HD22) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   83 and name HD22) (segid "BBBB" and resid   83 and name HD13)
    or (segid "BBBB" and resid   83 and name HD21) (segid "BBBB" and resid   83 and name HD12)
    or (segid "BBBB" and resid   83 and name HD21) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   83 and name HD21) (segid "BBBB" and resid   83 and name HD13)
    or (segid "BBBB" and resid   83 and name HD23) (segid "BBBB" and resid   83 and name HD12)
    or (segid "BBBB" and resid   83 and name HD23) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   83 and name HD23) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name  HB2) 2.553 0.815 0.815 weight 1.000 ! spec=cc4dnoesy, no=314, id=309, vol=2.567210e+01
assign (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   25 and name  HB1) 2.868 1.028 1.028 weight 1.000 ! spec=cc4dnoesy, no=315, id=310, vol=1.275780e+01
assign (segid "BBBB" and resid   79 and name HG22) (segid "BBBB" and resid   79 and name   HA) 2.091 0.546 0.546 weight 1.000 ! spec=cc4dnoesy, no=322, id=317, vol=8.511950e+01
    or (segid "BBBB" and resid   79 and name HG21) (segid "BBBB" and resid   79 and name   HA)
    or (segid "BBBB" and resid   79 and name HG23) (segid "BBBB" and resid   79 and name   HA)
assign (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   43 and name  HB1) 3.204 1.283 1.283 weight 1.000 ! spec=cc4dnoesy, no=330, id=325, vol=6.572900e+00
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   43 and name  HB1)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   43 and name  HB1)
assign (segid "AAAA" and resid   39 and name  HB1) (segid "BBBB" and resid   95 and name  HB2) 2.308 0.666 0.666 weight 1.000 ! spec=cc4dnoesy, no=331, id=326, vol=4.703370e+01
    or (segid "AAAA" and resid   39 and name  HB1) (segid "BBBB" and resid   95 and name  HB1)
    or (segid "AAAA" and resid   39 and name  HB1) (segid "BBBB" and resid   95 and name  HB3)
assign (segid "BBBB" and resid   83 and name HD12) (segid "BBBB" and resid   83 and name  HB2) 2.775 0.963 0.963 weight 1.000 ! spec=cc4dnoesy, no=334, id=329, vol=1.554540e+01
    or (segid "BBBB" and resid   83 and name HD11) (segid "BBBB" and resid   83 and name  HB2)
    or (segid "BBBB" and resid   83 and name HD13) (segid "BBBB" and resid   83 and name  HB2)
assign (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   40 and name  HG2) 2.890 1.044 1.044 weight 1.000 ! spec=cc4dnoesy, no=337, id=332, vol=1.219450e+01
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   40 and name  HG2)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   40 and name  HG2)
assign (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   40 and name  HG1) 3.051 1.164 1.164 weight 1.000 ! spec=cc4dnoesy, no=338, id=333, vol=8.802500e+00
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   40 and name  HG1)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   40 and name  HG1)
assign (segid "AAAA" and resid   39 and name  HB2) (segid "AAAA" and resid   39 and name   HA) 2.111 0.557 0.557 weight 1.000 ! spec=cc4dnoesy, no=341, id=336, vol=8.034550e+01
assign (segid "AAAA" and resid   39 and name  HB1) (segid "AAAA" and resid   39 and name   HA) 2.253 0.635 0.635 weight 1.000 ! spec=cc4dnoesy, no=342, id=337, vol=5.428570e+01
assign (segid "AAAA" and resid   30 and name  HB1) (segid "AAAA" and resid   27 and name   HA) 2.340 0.684 0.684 weight 1.000 ! spec=cc4dnoesy, no=344, id=339, vol=4.333290e+01
assign (segid "AAAA" and resid   30 and name  HB2) (segid "AAAA" and resid   27 and name   HA) 2.633 0.866 0.866 weight 1.000 ! spec=cc4dnoesy, no=345, id=340, vol=2.133560e+01
assign (segid "AAAA" and resid   27 and name  HG1) (segid "AAAA" and resid   27 and name   HA) 2.499 0.780 0.780 weight 1.000 ! spec=cc4dnoesy, no=347, id=342, vol=2.920670e+01
assign (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   62 and name   HG) 3.305 1.365 1.365 weight 1.000 ! spec=cc4dnoesy, no=349, id=344, vol=5.455900e+00
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   62 and name   HG)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   62 and name   HG)
assign (segid "AAAA" and resid   61 and name  HA2) (segid "AAAA" and resid   61 and name  HA1) 2.018 0.509 0.509 weight 1.000 ! spec=cc4dnoesy, no=355, id=350, vol=1.051769e+02
assign (segid "AAAA" and resid   26 and name  HB1) (segid "AAAA" and resid   26 and name   HA) 2.353 0.692 0.692 weight 1.000 ! spec=cc4dnoesy, no=361, id=356, vol=4.188240e+01
assign (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name HG11) 2.776 0.964 0.964 weight 1.000 ! spec=cc4dnoesy, no=363, id=358, vol=1.551580e+01
assign (segid "AAAA" and resid   25 and name   HG) (segid "AAAA" and resid   22 and name   HA) 2.505 0.784 0.784 weight 1.000 ! spec=cc4dnoesy, no=364, id=359, vol=2.874650e+01
assign (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   26 and name  HB1) 2.642 0.873 0.873 weight 1.000 ! spec=cc4dnoesy, no=365, id=360, vol=2.088340e+01
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   26 and name  HB1)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   26 and name  HB1)
assign (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   26 and name  HB2) 2.610 0.851 0.851 weight 1.000 ! spec=cc4dnoesy, no=366, id=361, vol=2.249500e+01
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   26 and name  HB2)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   26 and name  HB2)
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   22 and name   HA) 2.436 0.742 0.742 weight 1.000 ! spec=cc4dnoesy, no=367, id=362, vol=3.398380e+01
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   22 and name   HA)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   22 and name   HA)
assign (segid "AAAA" and resid   65 and name HG22) (segid "AAAA" and resid   56 and name   HA) 3.004 1.128 1.128 weight 1.000 ! spec=cc4dnoesy, no=368, id=363, vol=9.674500e+00
    or (segid "AAAA" and resid   65 and name HG21) (segid "AAAA" and resid   56 and name   HA)
    or (segid "AAAA" and resid   65 and name HG23) (segid "AAAA" and resid   56 and name   HA)
assign (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   22 and name   HA) 2.150 0.578 0.578 weight 1.000 ! spec=cc4dnoesy, no=369, id=364, vol=7.189250e+01
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   22 and name   HA)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   22 and name   HA)
assign (segid "AAAA" and resid   22 and name   HA) (segid "AAAA" and resid   25 and name  HB1) 3.171 1.257 1.257 weight 1.000 ! spec=cc4dnoesy, no=371, id=366, vol=6.987600e+00
assign (segid "AAAA" and resid   25 and name  HB2) (segid "AAAA" and resid   22 and name   HA) 2.465 0.760 0.760 weight 1.000 ! spec=cc4dnoesy, no=372, id=367, vol=3.167570e+01
assign (segid "AAAA" and resid   26 and name  HB2) (segid "AAAA" and resid   26 and name  HB1) 1.875 0.439 0.439 weight 1.000 ! spec=cc4dnoesy, no=373, id=368, vol=1.637249e+02
assign (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name HG22) 2.327 0.677 0.677 weight 1.000 ! spec=cc4dnoesy, no=376, id=371, vol=4.480880e+01
    or (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   51 and name HD22) (segid "AAAA" and resid   51 and name  HB2) 2.475 0.766 0.766 weight 1.000 ! spec=cc4dnoesy, no=385, id=380, vol=3.092910e+01
    or (segid "AAAA" and resid   51 and name HD21) (segid "AAAA" and resid   51 and name  HB2)
    or (segid "AAAA" and resid   51 and name HD23) (segid "AAAA" and resid   51 and name  HB2)
assign (segid "AAAA" and resid   51 and name  HB1) (segid "AAAA" and resid   51 and name  HB2) 2.007 0.504 0.504 weight 1.000 ! spec=cc4dnoesy, no=389, id=384, vol=1.085989e+02
assign (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG12) 2.292 0.656 0.656 weight 1.000 ! spec=cc4dnoesy, no=393, id=388, vol=4.907170e+01
    or (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG13)
assign (segid "AAAA" and resid   50 and name  HG2) (segid "AAAA" and resid   50 and name  HE2) 2.426 0.735 0.735 weight 1.000 ! spec=cc4dnoesy, no=396, id=391, vol=3.489580e+01
assign (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   43 and name  HB2) 2.723 0.927 0.927 weight 1.000 ! spec=cc4dnoesy, no=398, id=393, vol=1.741280e+01
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   43 and name  HB2)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   43 and name  HB2)
assign (segid "AAAA" and resid   43 and name  HB1) (segid "AAAA" and resid   43 and name  HB2) 2.167 0.587 0.587 weight 1.000 ! spec=cc4dnoesy, no=400, id=395, vol=6.854330e+01
assign (segid "AAAA" and resid   22 and name HG22) (segid "AAAA" and resid   40 and name   HA) 3.271 1.338 1.338 weight 1.000 ! spec=cc4dnoesy, no=403, id=398, vol=5.798500e+00
    or (segid "AAAA" and resid   22 and name HG21) (segid "AAAA" and resid   40 and name   HA)
    or (segid "AAAA" and resid   22 and name HG23) (segid "AAAA" and resid   40 and name   HA)
assign (segid "AAAA" and resid   22 and name HG22) (segid "AAAA" and resid   40 and name  HG2) 2.912 1.060 1.060 weight 1.000 ! spec=cc4dnoesy, no=405, id=400, vol=1.165670e+01
    or (segid "AAAA" and resid   22 and name HG21) (segid "AAAA" and resid   40 and name  HG2)
    or (segid "AAAA" and resid   22 and name HG23) (segid "AAAA" and resid   40 and name  HG2)
assign (segid "BBBB" and resid   79 and name HG12) (segid "AAAA" and resid   68 and name  HG1) 2.618 0.857 0.857 weight 1.000 ! spec=cc4dnoesy, no=406, id=401, vol=2.208690e+01
    or (segid "BBBB" and resid   79 and name HG11) (segid "AAAA" and resid   68 and name  HG1)
    or (segid "BBBB" and resid   79 and name HG13) (segid "AAAA" and resid   68 and name  HG1)
assign (segid "AAAA" and resid   62 and name  HB1) (segid "AAAA" and resid   62 and name   HG) 2.207 0.609 0.609 weight 1.000 ! spec=cc4dnoesy, no=413, id=408, vol=6.157110e+01
assign (segid "AAAA" and resid   36 and name  HB2) (segid "BBBB" and resid   84 and name  HG2) 3.284 1.348 1.348 weight 1.000 ! spec=cc4dnoesy, no=421, id=414, vol=5.667800e+00
    or (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HG2)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "BBBB" and resid   84 and name  HG2)
assign (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   36 and name  HB2) 2.918 1.064 1.064 weight 1.000 ! spec=cc4dnoesy, no=423, id=416, vol=1.150710e+01
    or (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   36 and name  HB3)
assign (segid "BBBB" and resid   83 and name HD22) (segid "AAAA" and resid   36 and name  HB2) 2.356 0.694 0.694 weight 1.000 ! spec=cc4dnoesy, no=425, id=418, vol=4.151260e+01
    or (segid "BBBB" and resid   83 and name HD22) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "BBBB" and resid   83 and name HD22) (segid "AAAA" and resid   36 and name  HB3)
    or (segid "BBBB" and resid   83 and name HD21) (segid "AAAA" and resid   36 and name  HB2)
    or (segid "BBBB" and resid   83 and name HD21) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "BBBB" and resid   83 and name HD21) (segid "AAAA" and resid   36 and name  HB3)
    or (segid "BBBB" and resid   83 and name HD23) (segid "AAAA" and resid   36 and name  HB2)
    or (segid "BBBB" and resid   83 and name HD23) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "BBBB" and resid   83 and name HD23) (segid "AAAA" and resid   36 and name  HB3)
assign (segid "AAAA" and resid    4 and name  HB1) (segid "AAAA" and resid    4 and name   HA) 2.193 0.601 0.601 weight 1.000 ! spec=cc4dnoesy, no=427, id=420, vol=6.384520e+01
assign (segid "AAAA" and resid   36 and name  HB2) (segid "BBBB" and resid   80 and name   HA) 2.765 0.956 0.956 weight 1.000 ! spec=cc4dnoesy, no=430, id=423, vol=1.590000e+01
    or (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   80 and name   HA)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "BBBB" and resid   80 and name   HA)
assign (segid "BBBB" and resid   94 and name   HA) (segid "BBBB" and resid   94 and name  HG2) 3.081 1.186 1.186 weight 1.000 ! spec=cc4dnoesy, no=436, id=429, vol=8.310700e+00
assign (segid "BBBB" and resid   94 and name  HG1) (segid "BBBB" and resid   94 and name   HA) 2.928 1.072 1.072 weight 1.000 ! spec=cc4dnoesy, no=437, id=430, vol=1.128070e+01
assign (segid "BBBB" and resid   94 and name   HA) (segid "BBBB" and resid   94 and name  HB2) 2.717 0.923 0.923 weight 1.000 ! spec=cc4dnoesy, no=440, id=433, vol=1.764660e+01
assign (segid "BBBB" and resid   95 and name   HA) (segid "BBBB" and resid   95 and name  HB2) 1.815 0.412 0.412 weight 1.000 ! spec=cc4dnoesy, no=444, id=437, vol=1.988822e+02
    or (segid "BBBB" and resid   95 and name   HA) (segid "BBBB" and resid   95 and name  HB1)
    or (segid "BBBB" and resid   95 and name   HA) (segid "BBBB" and resid   95 and name  HB3)
assign (segid "AAAA" and resid   52 and name HG22) (segid "BBBB" and resid   83 and name HD22) 2.638 0.870 0.870 weight 1.000 ! spec=cc4dnoesy, no=451, id=443, vol=2.110640e+01
    or (segid "AAAA" and resid   52 and name HG22) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   52 and name HG22) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   52 and name HG21) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   52 and name HG21) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   52 and name HG21) (segid "BBBB" and resid   83 and name HD23)
    or (segid "AAAA" and resid   52 and name HG23) (segid "BBBB" and resid   83 and name HD22)
    or (segid "AAAA" and resid   52 and name HG23) (segid "BBBB" and resid   83 and name HD21)
    or (segid "AAAA" and resid   52 and name HG23) (segid "BBBB" and resid   83 and name HD23)
assign (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   32 and name  HB1) 2.360 0.696 0.696 weight 1.000 ! spec=cc4dnoesy, no=452, id=444, vol=4.108310e+01
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   32 and name  HB1)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   32 and name  HB1)
assign (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   52 and name HG22) 2.795 0.976 0.976 weight 1.000 ! spec=cc4dnoesy, no=453, id=445, vol=1.491240e+01
    or (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   52 and name HG23)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   52 and name HG22)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   52 and name HG23)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   52 and name HG22)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   52 and name   HA) (segid "AAAA" and resid   52 and name HG22) 2.369 0.702 0.702 weight 1.000 ! spec=cc4dnoesy, no=456, id=448, vol=4.016240e+01
    or (segid "AAAA" and resid   52 and name   HA) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   52 and name   HA) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   52 and name HG22) (segid "BBBB" and resid   83 and name HD12) 2.545 0.810 0.810 weight 1.000 ! spec=cc4dnoesy, no=457, id=449, vol=2.612710e+01
    or (segid "AAAA" and resid   52 and name HG22) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   52 and name HG22) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   52 and name HG21) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   52 and name HG21) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   52 and name HG21) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   52 and name HG23) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   52 and name HG23) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   52 and name HG23) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   20 and name  HE1) 2.718 0.923 0.923 weight 1.000 ! spec=cc4dnoesy, no=458, id=450, vol=1.764040e+01
    or (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   20 and name  HE2)
assign (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   20 and name   HZ) 2.728 0.930 0.930 weight 1.000 ! spec=cc4dnoesy, no=460, id=452, vol=1.725400e+01
assign (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   52 and name   HB) 2.829 1.001 1.001 weight 1.000 ! spec=cc4dnoesy, no=463, id=455, vol=1.385510e+01
assign (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   53 and name  HB2) 2.746 0.942 0.942 weight 1.000 ! spec=cc4dnoesy, no=467, id=459, vol=1.658460e+01
assign (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   53 and name  HB1) 2.610 0.852 0.852 weight 1.000 ! spec=cc4dnoesy, no=468, id=460, vol=2.245880e+01
assign (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   52 and name HD12) 2.449 0.750 0.750 weight 1.000 ! spec=cc4dnoesy, no=469, id=461, vol=3.295940e+01
    or (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   49 and name   HA) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   56 and name   HB) 2.713 0.920 0.920 weight 1.000 ! spec=cc4dnoesy, no=471, id=463, vol=1.783440e+01
assign (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   56 and name HD12) 2.609 0.851 0.851 weight 1.000 ! spec=cc4dnoesy, no=475, id=467, vol=2.251300e+01
    or (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   56 and name HD12) 2.510 0.788 0.788 weight 1.000 ! spec=cc4dnoesy, no=476, id=468, vol=2.838490e+01
    or (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   56 and name HD13)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   56 and name HD13)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   56 and name HD12)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   12 and name   HA) 1.972 0.486 0.486 weight 1.000 ! spec=cc4dnoesy, no=480, id=472, vol=1.208182e+02
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   12 and name   HA)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   12 and name   HA)
assign (segid "AAAA" and resid   35 and name  HB1) (segid "BBBB" and resid   80 and name  HB2) 2.286 0.653 0.653 weight 1.000 ! spec=cc4dnoesy, no=485, id=477, vol=4.977250e+01
    or (segid "AAAA" and resid   35 and name  HB1) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "AAAA" and resid   35 and name  HB1) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "BBBB" and resid   80 and name  HB2) (segid "AAAA" and resid   35 and name  HG1) 2.821 0.995 0.995 weight 1.000 ! spec=cc4dnoesy, no=489, id=480, vol=1.411010e+01
    or (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   35 and name  HG1)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "AAAA" and resid   35 and name  HG1)
assign (segid "AAAA" and resid   29 and name HD22) (segid "AAAA" and resid   29 and name  HB1) 2.217 0.614 0.614 weight 1.000 ! spec=cc4dnoesy, no=490, id=481, vol=5.982170e+01
    or (segid "AAAA" and resid   29 and name HD21) (segid "AAAA" and resid   29 and name  HB1)
    or (segid "AAAA" and resid   29 and name HD23) (segid "AAAA" and resid   29 and name  HB1)
assign (segid "BBBB" and resid   80 and name  HB2) (segid "AAAA" and resid   32 and name HD22) 2.007 0.504 0.504 weight 1.000 ! spec=cc4dnoesy, no=491, id=482, vol=1.085852e+02
    or (segid "BBBB" and resid   80 and name  HB2) (segid "AAAA" and resid   32 and name HD21)
    or (segid "BBBB" and resid   80 and name  HB2) (segid "AAAA" and resid   32 and name HD23)
    or (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   32 and name HD22)
    or (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   32 and name HD21)
    or (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   32 and name HD23)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "AAAA" and resid   32 and name HD22)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "AAAA" and resid   32 and name HD21)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "AAAA" and resid   32 and name HD23)
assign (segid "AAAA" and resid    9 and name HG22) (segid "AAAA" and resid    9 and name   HA) 2.017 0.508 0.508 weight 1.000 ! spec=cc4dnoesy, no=496, id=486, vol=1.056062e+02
    or (segid "AAAA" and resid    9 and name HG21) (segid "AAAA" and resid    9 and name   HA)
    or (segid "AAAA" and resid    9 and name HG23) (segid "AAAA" and resid    9 and name   HA)
assign (segid "AAAA" and resid   29 and name  HB1) (segid "AAAA" and resid   29 and name  HB2) 1.986 0.493 0.493 weight 1.000 ! spec=cc4dnoesy, no=497, id=487, vol=1.156414e+02
assign (segid "BBBB" and resid   80 and name  HB2) (segid "AAAA" and resid   32 and name   HA) 3.028 1.146 1.146 weight 1.000 ! spec=cc4dnoesy, no=501, id=491, vol=9.226600e+00
    or (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   32 and name   HA)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "AAAA" and resid   32 and name   HA)
assign (segid "AAAA" and resid   46 and name  HB2) (segid "AAAA" and resid   47 and name  HG2) 3.145 1.237 1.237 weight 1.000 ! spec=cc4dnoesy, no=504, id=494, vol=7.336600e+00
    or (segid "AAAA" and resid   46 and name  HB1) (segid "AAAA" and resid   47 and name  HG2)
    or (segid "AAAA" and resid   46 and name  HB3) (segid "AAAA" and resid   47 and name  HG2)
assign (segid "AAAA" and resid   46 and name  HB2) (segid "AAAA" and resid   17 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=cc4dnoesy, no=506, id=495, vol=3.450920e+01
    or (segid "AAAA" and resid   46 and name  HB1) (segid "AAAA" and resid   17 and name   HA)
    or (segid "AAAA" and resid   46 and name  HB3) (segid "AAAA" and resid   17 and name   HA)
assign (segid "BBBB" and resid  105 and name   HA) (segid "BBBB" and resid  105 and name  HB2) 2.274 0.646 0.646 weight 1.000 ! spec=cc4dnoesy, no=514, id=503, vol=5.140050e+01
    or (segid "BBBB" and resid  105 and name   HA) (segid "BBBB" and resid  105 and name  HB1)
    or (segid "BBBB" and resid  105 and name   HA) (segid "BBBB" and resid  105 and name  HB3)
assign (segid "BBBB" and resid   83 and name HD22) (segid "BBBB" and resid   83 and name  HB2) 2.441 0.745 0.745 weight 1.000 ! spec=cc4dnoesy, no=518, id=507, vol=3.359530e+01
    or (segid "BBBB" and resid   83 and name HD21) (segid "BBBB" and resid   83 and name  HB2)
    or (segid "BBBB" and resid   83 and name HD23) (segid "BBBB" and resid   83 and name  HB2)
assign (segid "BBBB" and resid   87 and name HD22) (segid "BBBB" and resid   87 and name  HB1) 2.403 0.722 0.722 weight 1.000 ! spec=cc4dnoesy, no=519, id=508, vol=3.693540e+01
    or (segid "BBBB" and resid   87 and name HD21) (segid "BBBB" and resid   87 and name  HB1)
    or (segid "BBBB" and resid   87 and name HD23) (segid "BBBB" and resid   87 and name  HB1)
assign (segid "BBBB" and resid   83 and name  HB2) (segid "BBBB" and resid   83 and name  HB1) 2.175 0.591 0.591 weight 1.000 ! spec=cc4dnoesy, no=526, id=515, vol=6.715090e+01
assign (segid "BBBB" and resid  103 and name  HB1) (segid "BBBB" and resid  103 and name   HA) 2.736 0.936 0.936 weight 1.000 ! spec=cc4dnoesy, no=530, id=519, vol=1.693260e+01
assign (segid "BBBB" and resid  103 and name  HB2) (segid "BBBB" and resid  103 and name   HA) 2.354 0.692 0.692 weight 1.000 ! spec=cc4dnoesy, no=531, id=520, vol=4.181350e+01
assign (segid "BBBB" and resid  104 and name  HD2) (segid "BBBB" and resid  103 and name   HA) 2.198 0.604 0.604 weight 1.000 ! spec=cc4dnoesy, no=535, id=524, vol=6.309870e+01
assign (segid "AAAA" and resid   38 and name HG22) (segid "AAAA" and resid   38 and name HG12) 2.666 0.888 0.888 weight 1.000 ! spec=cc4dnoesy, no=536, id=525, vol=1.980330e+01
    or (segid "AAAA" and resid   38 and name HG21) (segid "AAAA" and resid   38 and name HG12)
    or (segid "AAAA" and resid   38 and name HG23) (segid "AAAA" and resid   38 and name HG12)
assign (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   38 and name HG22) 2.636 0.868 0.868 weight 1.000 ! spec=cc4dnoesy, no=537, id=526, vol=2.119840e+01
    or (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   38 and name HG23)
assign (segid "BBBB" and resid   92 and name HG11) (segid "BBBB" and resid   92 and name HG22) 2.299 0.661 0.661 weight 1.000 ! spec=cc4dnoesy, no=540, id=529, vol=4.813630e+01
    or (segid "BBBB" and resid   92 and name HG11) (segid "BBBB" and resid   92 and name HG21)
    or (segid "BBBB" and resid   92 and name HG11) (segid "BBBB" and resid   92 and name HG23)
assign (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   38 and name HG22) 2.160 0.583 0.583 weight 1.000 ! spec=cc4dnoesy, no=542, id=531, vol=6.999250e+01
    or (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   38 and name HG22)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   38 and name HG23)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   38 and name HG22)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   38 and name HG23)
assign (segid "AAAA" and resid   38 and name HG22) (segid "AAAA" and resid   48 and name HG21) 3.207 1.286 1.286 weight 1.000 ! spec=cc4dnoesy, no=544, id=533, vol=6.527600e+00
    or (segid "AAAA" and resid   38 and name HG22) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   38 and name HG22) (segid "AAAA" and resid   48 and name HG23)
    or (segid "AAAA" and resid   38 and name HG21) (segid "AAAA" and resid   48 and name HG21)
    or (segid "AAAA" and resid   38 and name HG21) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   38 and name HG21) (segid "AAAA" and resid   48 and name HG23)
    or (segid "AAAA" and resid   38 and name HG23) (segid "AAAA" and resid   48 and name HG21)
    or (segid "AAAA" and resid   38 and name HG23) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   38 and name HG23) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   34 and name   HA) (segid "AAAA" and resid   34 and name  HB1) 1.881 0.442 0.442 weight 1.000 ! spec=cc4dnoesy, no=545, id=534, vol=1.603887e+02
assign (segid "AAAA" and resid   58 and name  HB1) (segid "AAAA" and resid   55 and name   HA) 2.452 0.752 0.752 weight 1.000 ! spec=cc4dnoesy, no=546, id=535, vol=3.268670e+01
assign (segid "AAAA" and resid   58 and name  HB2) (segid "AAAA" and resid   55 and name   HA) 2.687 0.903 0.903 weight 1.000 ! spec=cc4dnoesy, no=547, id=536, vol=1.887800e+01
assign (segid "BBBB" and resid   92 and name HG22) (segid "BBBB" and resid   87 and name  HB2) 2.948 1.087 1.087 weight 1.000 ! spec=cc4dnoesy, no=548, id=537, vol=1.081860e+01
    or (segid "BBBB" and resid   92 and name HG21) (segid "BBBB" and resid   87 and name  HB2)
    or (segid "BBBB" and resid   92 and name HG23) (segid "BBBB" and resid   87 and name  HB2)
assign (segid "AAAA" and resid   55 and name   HA) (segid "AAAA" and resid   55 and name  HB1) 2.486 0.773 0.773 weight 1.000 ! spec=cc4dnoesy, no=551, id=540, vol=3.007040e+01
assign (segid "AAAA" and resid   55 and name   HA) (segid "AAAA" and resid   55 and name  HB2) 3.004 1.128 1.128 weight 1.000 ! spec=cc4dnoesy, no=552, id=541, vol=9.673700e+00
assign (segid "BBBB" and resid   92 and name HG22) (segid "BBBB" and resid   92 and name   HB) 2.058 0.529 0.529 weight 1.000 ! spec=cc4dnoesy, no=553, id=542, vol=9.356320e+01
    or (segid "BBBB" and resid   92 and name HG21) (segid "BBBB" and resid   92 and name   HB)
    or (segid "BBBB" and resid   92 and name HG23) (segid "BBBB" and resid   92 and name   HB)
assign (segid "BBBB" and resid   88 and name  HB2) (segid "BBBB" and resid   85 and name   HA) 2.113 0.558 0.558 weight 1.000 ! spec=cc4dnoesy, no=556, id=545, vol=7.988030e+01
    or (segid "BBBB" and resid   88 and name  HB1) (segid "BBBB" and resid   85 and name   HA)
    or (segid "BBBB" and resid   88 and name  HB3) (segid "BBBB" and resid   85 and name   HA)
assign (segid "BBBB" and resid  107 and name  HB1) (segid "BBBB" and resid  107 and name   HA) 2.304 0.664 0.664 weight 1.000 ! spec=cc4dnoesy, no=560, id=549, vol=4.749370e+01
assign (segid "BBBB" and resid  102 and name HG22) (segid "BBBB" and resid  103 and name  HD2) 3.348 1.401 1.401 weight 1.000 ! spec=cc4dnoesy, no=562, id=551, vol=5.047300e+00
    or (segid "BBBB" and resid  102 and name HG21) (segid "BBBB" and resid  103 and name  HD2)
    or (segid "BBBB" and resid  102 and name HG23) (segid "BBBB" and resid  103 and name  HD2)
assign (segid "BBBB" and resid  103 and name  HD1) (segid "BBBB" and resid  102 and name HG22) 2.771 0.960 0.960 weight 1.000 ! spec=cc4dnoesy, no=563, id=552, vol=1.570610e+01
    or (segid "BBBB" and resid  103 and name  HD1) (segid "BBBB" and resid  102 and name HG21)
    or (segid "BBBB" and resid  103 and name  HD1) (segid "BBBB" and resid  102 and name HG23)
assign (segid "BBBB" and resid  102 and name HG22) (segid "BBBB" and resid  102 and name HG11) 2.875 1.033 1.033 weight 1.000 ! spec=cc4dnoesy, no=564, id=553, vol=1.258630e+01
    or (segid "BBBB" and resid  102 and name HG21) (segid "BBBB" and resid  102 and name HG11)
    or (segid "BBBB" and resid  102 and name HG23) (segid "BBBB" and resid  102 and name HG11)
assign (segid "BBBB" and resid  102 and name HG12) (segid "BBBB" and resid  102 and name HG22) 2.637 0.869 0.869 weight 1.000 ! spec=cc4dnoesy, no=565, id=554, vol=2.115040e+01
    or (segid "BBBB" and resid  102 and name HG12) (segid "BBBB" and resid  102 and name HG21)
    or (segid "BBBB" and resid  102 and name HG12) (segid "BBBB" and resid  102 and name HG23)
assign (segid "AAAA" and resid   43 and name HD12) (segid "AAAA" and resid   40 and name   HA) 2.363 0.698 0.698 weight 1.000 ! spec=cc4dnoesy, no=566, id=555, vol=4.086790e+01
    or (segid "AAAA" and resid   43 and name HD11) (segid "AAAA" and resid   40 and name   HA)
    or (segid "AAAA" and resid   43 and name HD13) (segid "AAAA" and resid   40 and name   HA)
assign (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   40 and name   HA) 2.837 1.006 1.006 weight 1.000 ! spec=cc4dnoesy, no=568, id=557, vol=1.363630e+01
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   40 and name   HA)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   40 and name   HA)
assign (segid "AAAA" and resid   43 and name  HB1) (segid "AAAA" and resid   40 and name   HA) 2.806 0.984 0.984 weight 1.000 ! spec=cc4dnoesy, no=569, id=558, vol=1.456260e+01
assign (segid "AAAA" and resid   40 and name   HA) (segid "AAAA" and resid   40 and name  HG2) 2.723 0.927 0.927 weight 1.000 ! spec=cc4dnoesy, no=570, id=559, vol=1.743740e+01
assign (segid "BBBB" and resid  102 and name HG22) (segid "BBBB" and resid  102 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=cc4dnoesy, no=572, id=561, vol=2.887780e+01
    or (segid "BBBB" and resid  102 and name HG21) (segid "BBBB" and resid  102 and name   HA)
    or (segid "BBBB" and resid  102 and name HG23) (segid "BBBB" and resid  102 and name   HA)
assign (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   84 and name  HE2) 2.700 0.911 0.911 weight 1.000 ! spec=cc4dnoesy, no=574, id=563, vol=1.833600e+01
    or (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   84 and name  HE3)
assign (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name HG11) 2.558 0.818 0.818 weight 1.000 ! spec=cc4dnoesy, no=576, id=565, vol=2.538140e+01
assign (segid "BBBB" and resid   84 and name  HE2) (segid "BBBB" and resid   76 and name HD22) 3.127 1.222 1.222 weight 1.000 ! spec=cc4dnoesy, no=577, id=566, vol=7.603400e+00
    or (segid "BBBB" and resid   84 and name  HE2) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   84 and name  HE2) (segid "BBBB" and resid   76 and name HD23)
    or (segid "BBBB" and resid   84 and name  HE1) (segid "BBBB" and resid   76 and name HD22)
    or (segid "BBBB" and resid   84 and name  HE1) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   84 and name  HE1) (segid "BBBB" and resid   76 and name HD23)
    or (segid "BBBB" and resid   84 and name  HE3) (segid "BBBB" and resid   76 and name HD22)
    or (segid "BBBB" and resid   84 and name  HE3) (segid "BBBB" and resid   76 and name HD21)
    or (segid "BBBB" and resid   84 and name  HE3) (segid "BBBB" and resid   76 and name HD23)
assign (segid "AAAA" and resid   36 and name  HB2) (segid "BBBB" and resid   84 and name  HE2) 2.705 0.915 0.915 weight 1.000 ! spec=cc4dnoesy, no=578, id=567, vol=1.813670e+01
    or (segid "AAAA" and resid   36 and name  HB2) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "AAAA" and resid   36 and name  HB2) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "BBBB" and resid   84 and name  HE3)
assign (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   52 and name   HB) 2.293 0.657 0.657 weight 1.000 ! spec=cc4dnoesy, no=579, id=568, vol=4.883500e+01
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   52 and name   HB)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   52 and name   HB)
assign (segid "BBBB" and resid   80 and name  HB2) (segid "BBBB" and resid   84 and name  HE2) 2.510 0.788 0.788 weight 1.000 ! spec=cc4dnoesy, no=580, id=569, vol=2.841430e+01
    or (segid "BBBB" and resid   80 and name  HB2) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "BBBB" and resid   80 and name  HB2) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "BBBB" and resid   80 and name  HB1) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "BBBB" and resid   80 and name  HB1) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "BBBB" and resid   80 and name  HB1) (segid "BBBB" and resid   84 and name  HE3)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "BBBB" and resid   84 and name  HE2)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "BBBB" and resid   84 and name  HE1)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "BBBB" and resid   84 and name  HE3)
assign (segid "AAAA" and resid   38 and name HG22) (segid "AAAA" and resid   38 and name   HB) 2.123 0.564 0.564 weight 1.000 ! spec=cc4dnoesy, no=581, id=570, vol=7.754780e+01
    or (segid "AAAA" and resid   38 and name HG21) (segid "AAAA" and resid   38 and name   HB)
    or (segid "AAAA" and resid   38 and name HG23) (segid "AAAA" and resid   38 and name   HB)
assign (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name HG22) 2.253 0.635 0.635 weight 1.000 ! spec=cc4dnoesy, no=582, id=571, vol=5.428390e+01
    or (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name HG21)
    or (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name HG23)
assign (segid "BBBB" and resid   84 and name  HE2) (segid "BBBB" and resid   81 and name   HA) 2.427 0.736 0.736 weight 1.000 ! spec=cc4dnoesy, no=583, id=572, vol=3.480610e+01
    or (segid "BBBB" and resid   84 and name  HE1) (segid "BBBB" and resid   81 and name   HA)
    or (segid "BBBB" and resid   84 and name  HE3) (segid "BBBB" and resid   81 and name   HA)
assign (segid "AAAA" and resid   52 and name   HB) (segid "AAAA" and resid   52 and name HD12) 2.531 0.801 0.801 weight 1.000 ! spec=cc4dnoesy, no=584, id=573, vol=2.700370e+01
    or (segid "AAAA" and resid   52 and name   HB) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   52 and name   HB) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   38 and name   HB) (segid "AAAA" and resid   33 and name  HB2) 2.522 0.795 0.795 weight 1.000 ! spec=cc4dnoesy, no=586, id=575, vol=2.759620e+01
assign (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name   HA) 2.732 0.933 0.933 weight 1.000 ! spec=cc4dnoesy, no=587, id=576, vol=1.707170e+01
assign (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name HD12) 2.843 1.010 1.010 weight 1.000 ! spec=cc4dnoesy, no=589, id=578, vol=1.345910e+01
    or (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name HD11)
    or (segid "BBBB" and resid  102 and name   HB) (segid "BBBB" and resid  102 and name HD13)
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   65 and name   HB) 3.400 1.445 1.445 weight 1.000 ! spec=cc4dnoesy, no=590, id=579, vol=4.597300e+00
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   65 and name   HB)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   65 and name   HB)
assign (segid "BBBB" and resid   82 and name  HG1) (segid "BBBB" and resid   82 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=cc4dnoesy, no=591, id=580, vol=3.585980e+01
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   56 and name HG12) 2.646 0.875 0.875 weight 1.000 ! spec=cc4dnoesy, no=592, id=581, vol=2.069830e+01
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   56 and name HG12)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   56 and name HG12)
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   56 and name HG11) 2.605 0.848 0.848 weight 1.000 ! spec=cc4dnoesy, no=593, id=582, vol=2.274510e+01
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   56 and name HG11)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   56 and name HG11)
assign (segid "AAAA" and resid   38 and name HG12) (segid "AAAA" and resid   38 and name   HA) 2.902 1.052 1.052 weight 1.000 ! spec=cc4dnoesy, no=594, id=583, vol=1.190410e+01
assign (segid "AAAA" and resid   66 and name  HG2) (segid "AAAA" and resid   66 and name   HA) 2.285 0.653 0.653 weight 1.000 ! spec=cc4dnoesy, no=595, id=584, vol=4.992930e+01
assign (segid "BBBB" and resid   92 and name HG12) (segid "BBBB" and resid   92 and name   HB) 2.609 0.851 0.851 weight 1.000 ! spec=cc4dnoesy, no=596, id=585, vol=2.252170e+01
assign (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   69 and name  HE2) 2.870 1.030 1.030 weight 1.000 ! spec=cc4dnoesy, no=597, id=586, vol=1.271610e+01
    or (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   69 and name  HE3)
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   69 and name  HE2)
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   69 and name  HE3)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   69 and name  HE2)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   69 and name  HE3)
assign (segid "AAAA" and resid   55 and name  HB1) (segid "AAAA" and resid   55 and name  HD1) 2.636 0.868 0.868 weight 1.000 ! spec=cc4dnoesy, no=598, id=587, vol=2.118680e+01
    or (segid "AAAA" and resid   55 and name  HB1) (segid "AAAA" and resid   55 and name  HD2)
assign (segid "AAAA" and resid   61 and name  HA1) (segid "AAAA" and resid   56 and name HG22) 2.716 0.922 0.922 weight 1.000 ! spec=cc4dnoesy, no=605, id=594, vol=1.769970e+01
    or (segid "AAAA" and resid   61 and name  HA1) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   61 and name  HA1) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   30 and name   HA) (segid "AAAA" and resid   30 and name  HD1) 2.753 0.948 0.948 weight 1.000 ! spec=cc4dnoesy, no=607, id=596, vol=1.631000e+01
assign (segid "AAAA" and resid   69 and name  HE2) (segid "BBBB" and resid   79 and name HG12) 2.856 1.019 1.019 weight 1.000 ! spec=cc4dnoesy, no=608, id=597, vol=1.310470e+01
    or (segid "AAAA" and resid   69 and name  HE2) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   69 and name  HE2) (segid "BBBB" and resid   79 and name HG13)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "BBBB" and resid   79 and name HG12)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "BBBB" and resid   79 and name HG13)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "BBBB" and resid   79 and name HG12)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "BBBB" and resid   79 and name HG13)
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   62 and name  HB2) 3.024 1.143 1.143 weight 1.000 ! spec=cc4dnoesy, no=609, id=598, vol=9.300300e+00
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   62 and name  HB2)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   62 and name  HB2)
assign (segid "AAAA" and resid   31 and name  HB1) (segid "AAAA" and resid   69 and name  HE2) 2.333 0.680 0.680 weight 1.000 ! spec=cc4dnoesy, no=610, id=599, vol=4.405570e+01
    or (segid "AAAA" and resid   31 and name  HB1) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   31 and name  HB1) (segid "AAAA" and resid   69 and name  HE3)
assign (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   32 and name  HB2) 3.069 1.178 1.178 weight 1.000 ! spec=cc4dnoesy, no=611, id=600, vol=8.497300e+00
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   32 and name  HB2)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   32 and name  HB2)
assign (segid "AAAA" and resid   55 and name  HB1) (segid "AAAA" and resid   55 and name  HB2) 2.220 0.616 0.616 weight 1.000 ! spec=cc4dnoesy, no=615, id=604, vol=5.938810e+01
assign (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   66 and name   HA) 3.288 1.351 1.351 weight 1.000 ! spec=cc4dnoesy, no=616, id=605, vol=5.627500e+00
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   66 and name   HA)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   66 and name   HA)
assign (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   32 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=cc4dnoesy, no=617, id=606, vol=2.017200e+01
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   32 and name   HA)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   32 and name   HA)
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   62 and name   HA) 2.464 0.759 0.759 weight 1.000 ! spec=cc4dnoesy, no=618, id=607, vol=3.173200e+01
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   62 and name   HA)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   62 and name   HA)
assign (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   28 and name   HA) 2.914 1.062 1.062 weight 1.000 ! spec=cc4dnoesy, no=621, id=610, vol=1.160290e+01
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   28 and name   HA)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   28 and name   HA)
assign (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   69 and name   HA) 2.979 1.109 1.109 weight 1.000 ! spec=cc4dnoesy, no=622, id=611, vol=1.017300e+01
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   69 and name   HA)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   69 and name   HA)
assign (segid "BBBB" and resid   86 and name   HA) (segid "BBBB" and resid   89 and name  HB2) 3.018 1.138 1.138 weight 1.000 ! spec=cc4dnoesy, no=625, id=614, vol=9.405000e+00
assign (segid "AAAA" and resid   38 and name   HA) (segid "AAAA" and resid   38 and name HG11) 2.654 0.881 0.881 weight 1.000 ! spec=cc4dnoesy, no=626, id=615, vol=2.032650e+01
assign (segid "BBBB" and resid   92 and name   HB) (segid "BBBB" and resid   92 and name HG11) 2.656 0.882 0.882 weight 1.000 ! spec=cc4dnoesy, no=627, id=616, vol=2.023400e+01
assign (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   29 and name HD12) 3.424 1.465 1.465 weight 1.000 ! spec=cc4dnoesy, no=629, id=618, vol=4.412200e+00
    or (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   29 and name HD13)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   29 and name HD12)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   65 and name HG12) (segid "AAAA" and resid   69 and name  HE2) 2.876 1.034 1.034 weight 1.000 ! spec=cc4dnoesy, no=630, id=619, vol=1.255440e+01
    or (segid "AAAA" and resid   65 and name HG12) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   65 and name HG12) (segid "AAAA" and resid   69 and name  HE3)
    or (segid "AAAA" and resid   65 and name HG11) (segid "AAAA" and resid   69 and name  HE2)
    or (segid "AAAA" and resid   65 and name HG11) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   65 and name HG11) (segid "AAAA" and resid   69 and name  HE3)
    or (segid "AAAA" and resid   65 and name HG13) (segid "AAAA" and resid   69 and name  HE2)
    or (segid "AAAA" and resid   65 and name HG13) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   65 and name HG13) (segid "AAAA" and resid   69 and name  HE3)
assign (segid "AAAA" and resid   38 and name HG22) (segid "AAAA" and resid   38 and name   HA) 2.179 0.594 0.594 weight 1.000 ! spec=cc4dnoesy, no=631, id=620, vol=6.632530e+01
    or (segid "AAAA" and resid   38 and name HG21) (segid "AAAA" and resid   38 and name   HA)
    or (segid "AAAA" and resid   38 and name HG23) (segid "AAAA" and resid   38 and name   HA)
assign (segid "AAAA" and resid   38 and name   HA) (segid "AAAA" and resid   38 and name   HB) 2.859 1.022 1.022 weight 1.000 ! spec=cc4dnoesy, no=632, id=621, vol=1.301220e+01
assign (segid "BBBB" and resid   92 and name HG12) (segid "BBBB" and resid   92 and name   HA) 2.483 0.771 0.771 weight 1.000 ! spec=cc4dnoesy, no=633, id=622, vol=3.029440e+01
assign (segid "BBBB" and resid   92 and name HG11) (segid "BBBB" and resid   92 and name   HA) 2.646 0.875 0.875 weight 1.000 ! spec=cc4dnoesy, no=634, id=623, vol=2.071040e+01
assign (segid "AAAA" and resid   53 and name  HB2) (segid "AAAA" and resid   53 and name  HD1) 2.588 0.837 0.837 weight 1.000 ! spec=cc4dnoesy, no=636, id=625, vol=2.364450e+01
    or (segid "AAAA" and resid   53 and name  HB2) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid   57 and name   HA) (segid "AAAA" and resid   61 and name  HA2) 3.030 1.147 1.147 weight 1.000 ! spec=cc4dnoesy, no=638, id=627, vol=9.190400e+00
assign (segid "AAAA" and resid   57 and name   HA) (segid "AAAA" and resid   61 and name  HA1) 2.816 0.991 0.991 weight 1.000 ! spec=cc4dnoesy, no=639, id=628, vol=1.426190e+01
assign (segid "BBBB" and resid   92 and name HG22) (segid "BBBB" and resid   92 and name   HA) 2.155 0.581 0.581 weight 1.000 ! spec=cc4dnoesy, no=641, id=630, vol=7.093630e+01
    or (segid "BBBB" and resid   92 and name HG21) (segid "BBBB" and resid   92 and name   HA)
    or (segid "BBBB" and resid   92 and name HG23) (segid "BBBB" and resid   92 and name   HA)
assign (segid "AAAA" and resid   40 and name   HA) (segid "AAAA" and resid   40 and name  HG1) 2.676 0.895 0.895 weight 1.000 ! spec=cc4dnoesy, no=643, id=632, vol=1.935200e+01
assign (segid "BBBB" and resid   92 and name   HA) (segid "BBBB" and resid   92 and name   HB) 2.863 1.025 1.025 weight 1.000 ! spec=cc4dnoesy, no=644, id=633, vol=1.289620e+01
assign (segid "AAAA" and resid   53 and name  HB1) (segid "AAAA" and resid   50 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=cc4dnoesy, no=645, id=634, vol=2.013530e+01
assign (segid "AAAA" and resid   53 and name  HB2) (segid "AAAA" and resid   50 and name   HA) 3.412 1.455 1.455 weight 1.000 ! spec=cc4dnoesy, no=646, id=635, vol=4.506500e+00
assign (segid "AAAA" and resid   57 and name   HA) (segid "AAAA" and resid   57 and name  HG2) 2.856 1.020 1.020 weight 1.000 ! spec=cc4dnoesy, no=649, id=638, vol=1.309490e+01
assign (segid "AAAA" and resid   57 and name   HA) (segid "AAAA" and resid   57 and name  HG1) 2.885 1.040 1.040 weight 1.000 ! spec=cc4dnoesy, no=650, id=639, vol=1.232250e+01
assign (segid "AAAA" and resid   42 and name   HA) (segid "AAAA" and resid   42 and name  HB2) 2.526 0.798 0.798 weight 1.000 ! spec=cc4dnoesy, no=652, id=641, vol=2.735240e+01
assign (segid "AAAA" and resid   42 and name   HA) (segid "AAAA" and resid   42 and name  HB1) 2.922 1.068 1.068 weight 1.000 ! spec=cc4dnoesy, no=653, id=642, vol=1.140510e+01
assign (segid "AAAA" and resid   50 and name  HG1) (segid "AAAA" and resid   50 and name   HA) 2.665 0.888 0.888 weight 1.000 ! spec=cc4dnoesy, no=654, id=643, vol=1.983320e+01
assign (segid "AAAA" and resid   20 and name   HA) (segid "AAAA" and resid   20 and name  HD1) 2.876 1.034 1.034 weight 1.000 ! spec=cc4dnoesy, no=655, id=644, vol=1.254520e+01
    or (segid "AAAA" and resid   20 and name   HA) (segid "AAAA" and resid   20 and name  HD2)
assign (segid "AAAA" and resid   48 and name HG21) (segid "AAAA" and resid   42 and name   HA) 2.834 1.004 1.004 weight 1.000 ! spec=cc4dnoesy, no=656, id=645, vol=1.372720e+01
    or (segid "AAAA" and resid   48 and name HG22) (segid "AAAA" and resid   42 and name   HA)
    or (segid "AAAA" and resid   48 and name HG23) (segid "AAAA" and resid   42 and name   HA)
assign (segid "AAAA" and resid   63 and name   HA) (segid "AAAA" and resid   66 and name  HD2) 2.250 0.633 0.633 weight 1.000 ! spec=cc4dnoesy, no=657, id=646, vol=5.479020e+01
assign (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name   HA) 3.036 1.152 1.152 weight 1.000 ! spec=cc4dnoesy, no=662, id=651, vol=9.077800e+00
assign (segid "AAAA" and resid   32 and name HD22) (segid "AAAA" and resid   32 and name   HA) 2.065 0.533 0.533 weight 1.000 ! spec=cc4dnoesy, no=663, id=652, vol=9.151480e+01
    or (segid "AAAA" and resid   32 and name HD21) (segid "AAAA" and resid   32 and name   HA)
    or (segid "AAAA" and resid   32 and name HD23) (segid "AAAA" and resid   32 and name   HA)
assign (segid "AAAA" and resid   32 and name  HB1) (segid "AAAA" and resid   32 and name   HA) 2.371 0.703 0.703 weight 1.000 ! spec=cc4dnoesy, no=666, id=655, vol=4.001540e+01
assign (segid "AAAA" and resid   32 and name  HB2) (segid "AAAA" and resid   32 and name   HA) 2.480 0.769 0.769 weight 1.000 ! spec=cc4dnoesy, no=667, id=656, vol=3.053610e+01
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   56 and name   HB) 2.164 0.585 0.585 weight 1.000 ! spec=cc4dnoesy, no=672, id=661, vol=6.925620e+01
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   56 and name   HB)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   56 and name   HB)
assign (segid "AAAA" and resid   56 and name   HB) (segid "AAAA" and resid   56 and name HD12) 2.400 0.720 0.720 weight 1.000 ! spec=cc4dnoesy, no=673, id=662, vol=3.722310e+01
    or (segid "AAAA" and resid   56 and name   HB) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   56 and name   HB) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   52 and name HD12) (segid "AAAA" and resid   43 and name   HA) 3.125 1.220 1.220 weight 1.000 ! spec=cc4dnoesy, no=674, id=663, vol=7.637000e+00
    or (segid "AAAA" and resid   52 and name HD11) (segid "AAAA" and resid   43 and name   HA)
    or (segid "AAAA" and resid   52 and name HD13) (segid "AAAA" and resid   43 and name   HA)
assign (segid "BBBB" and resid  108 and name  HB1) (segid "BBBB" and resid  108 and name   HA) 2.714 0.921 0.921 weight 1.000 ! spec=cc4dnoesy, no=676, id=665, vol=1.778850e+01
assign (segid "AAAA" and resid   52 and name HG12) (segid "AAAA" and resid   52 and name HD12) 2.326 0.676 0.676 weight 1.000 ! spec=cc4dnoesy, no=677, id=666, vol=4.486510e+01
    or (segid "AAAA" and resid   52 and name HG12) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   52 and name HG12) (segid "AAAA" and resid   52 and name HD13)
assign (segid "BBBB" and resid  103 and name  HD1) (segid "BBBB" and resid  102 and name   HA) 2.253 0.635 0.635 weight 1.000 ! spec=cc4dnoesy, no=679, id=668, vol=5.427870e+01
assign (segid "AAAA" and resid   62 and name HD12) (segid "AAAA" and resid   62 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=cc4dnoesy, no=681, id=670, vol=1.418070e+01
    or (segid "AAAA" and resid   62 and name HD11) (segid "AAAA" and resid   62 and name   HA)
    or (segid "AAAA" and resid   62 and name HD13) (segid "AAAA" and resid   62 and name   HA)
assign (segid "AAAA" and resid   62 and name HD22) (segid "AAAA" and resid   62 and name   HA) 2.057 0.529 0.529 weight 1.000 ! spec=cc4dnoesy, no=682, id=671, vol=9.375650e+01
    or (segid "AAAA" and resid   62 and name HD21) (segid "AAAA" and resid   62 and name   HA)
    or (segid "AAAA" and resid   62 and name HD23) (segid "AAAA" and resid   62 and name   HA)
assign (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   52 and name HD12) 2.223 0.618 0.618 weight 1.000 ! spec=cc4dnoesy, no=683, id=672, vol=5.887300e+01
    or (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   52 and name HD13)
assign (segid "BBBB" and resid   87 and name HD12) (segid "BBBB" and resid   87 and name   HA) 2.067 0.534 0.534 weight 1.000 ! spec=cc4dnoesy, no=684, id=673, vol=9.122260e+01
    or (segid "BBBB" and resid   87 and name HD11) (segid "BBBB" and resid   87 and name   HA)
    or (segid "BBBB" and resid   87 and name HD13) (segid "BBBB" and resid   87 and name   HA)
assign (segid "AAAA" and resid   52 and name HD12) (segid "AAAA" and resid   52 and name   HA) 2.891 1.045 1.045 weight 1.000 ! spec=cc4dnoesy, no=686, id=675, vol=1.216860e+01
    or (segid "AAAA" and resid   52 and name HD11) (segid "AAAA" and resid   52 and name   HA)
    or (segid "AAAA" and resid   52 and name HD13) (segid "AAAA" and resid   52 and name   HA)
assign (segid "AAAA" and resid   52 and name HD12) (segid "BBBB" and resid   83 and name HD12) 3.219 1.295 1.295 weight 1.000 ! spec=cc4dnoesy, no=687, id=676, vol=6.392300e+00
    or (segid "AAAA" and resid   52 and name HD12) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   52 and name HD12) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   52 and name HD11) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   52 and name HD11) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   52 and name HD11) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   52 and name HD13) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   52 and name HD13) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   52 and name HD13) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   62 and name  HB1) (segid "AAAA" and resid   62 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=cc4dnoesy, no=688, id=677, vol=2.573180e+01
assign (segid "AAAA" and resid   62 and name  HB2) (segid "AAAA" and resid   62 and name   HA) 2.507 0.785 0.785 weight 1.000 ! spec=cc4dnoesy, no=689, id=678, vol=2.864330e+01
assign (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   52 and name HD12) 2.131 0.568 0.568 weight 1.000 ! spec=cc4dnoesy, no=691, id=680, vol=7.590370e+01
    or (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   52 and name HD13)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   52 and name HD12)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   52 and name HD13)
assign (segid "BBBB" and resid   87 and name   HA) (segid "BBBB" and resid   87 and name  HB1) 2.942 1.082 1.082 weight 1.000 ! spec=cc4dnoesy, no=692, id=681, vol=1.095920e+01
assign (segid "BBBB" and resid   87 and name   HA) (segid "BBBB" and resid   87 and name  HB2) 2.908 1.057 1.057 weight 1.000 ! spec=cc4dnoesy, no=693, id=682, vol=1.175010e+01
assign (segid "BBBB" and resid  102 and name   HA) (segid "BBBB" and resid  102 and name HD12) 3.412 1.455 1.455 weight 1.000 ! spec=cc4dnoesy, no=697, id=686, vol=4.504000e+00
    or (segid "BBBB" and resid  102 and name   HA) (segid "BBBB" and resid  102 and name HD11)
    or (segid "BBBB" and resid  102 and name   HA) (segid "BBBB" and resid  102 and name HD13)
assign (segid "AAAA" and resid   42 and name  HG2) (segid "AAAA" and resid   42 and name  HB2) 2.736 0.936 0.936 weight 1.000 ! spec=cc4dnoesy, no=708, id=697, vol=1.694230e+01
assign (segid "AAAA" and resid   56 and name HG12) (segid "AAAA" and resid   56 and name HD12) 2.315 0.670 0.670 weight 1.000 ! spec=cc4dnoesy, no=709, id=698, vol=4.611280e+01
    or (segid "AAAA" and resid   56 and name HG12) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   56 and name HG12) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   51 and name HD22) (segid "AAAA" and resid   51 and name   HA) 2.071 0.536 0.536 weight 1.000 ! spec=cc4dnoesy, no=714, id=703, vol=9.006670e+01
    or (segid "AAAA" and resid   51 and name HD21) (segid "AAAA" and resid   51 and name   HA)
    or (segid "AAAA" and resid   51 and name HD23) (segid "AAAA" and resid   51 and name   HA)
assign (segid "BBBB" and resid   83 and name HD12) (segid "BBBB" and resid   83 and name   HA) 2.144 0.574 0.574 weight 1.000 ! spec=cc4dnoesy, no=715, id=704, vol=7.324220e+01
    or (segid "BBBB" and resid   83 and name HD11) (segid "BBBB" and resid   83 and name   HA)
    or (segid "BBBB" and resid   83 and name HD13) (segid "BBBB" and resid   83 and name   HA)
assign (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name HD12) 2.791 0.974 0.974 weight 1.000 ! spec=cc4dnoesy, no=717, id=706, vol=1.501880e+01
    or (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   51 and name  HB1) (segid "AAAA" and resid   51 and name   HA) 2.600 0.845 0.845 weight 1.000 ! spec=cc4dnoesy, no=718, id=707, vol=2.297920e+01
assign (segid "AAAA" and resid   51 and name  HB2) (segid "AAAA" and resid   51 and name   HA) 2.406 0.723 0.723 weight 1.000 ! spec=cc4dnoesy, no=719, id=708, vol=3.665040e+01
assign (segid "AAAA" and resid   28 and name  HB2) (segid "AAAA" and resid   28 and name   HA) 2.514 0.790 0.790 weight 1.000 ! spec=cc4dnoesy, no=723, id=711, vol=2.812880e+01
assign (segid "AAAA" and resid   28 and name  HB1) (segid "AAAA" and resid   28 and name   HA) 2.359 0.695 0.695 weight 1.000 ! spec=cc4dnoesy, no=724, id=712, vol=4.126040e+01
assign (segid "BBBB" and resid   83 and name  HB1) (segid "BBBB" and resid   83 and name   HA) 2.760 0.952 0.952 weight 1.000 ! spec=cc4dnoesy, no=725, id=713, vol=1.606830e+01
assign (segid "AAAA" and resid   51 and name   HA) (segid "AAAA" and resid   54 and name  HB2) 3.199 1.279 1.279 weight 1.000 ! spec=cc4dnoesy, no=726, id=714, vol=6.625900e+00
assign (segid "AAAA" and resid   14 and name  HB2) (segid "AAAA" and resid   14 and name   HA) 2.424 0.735 0.735 weight 1.000 ! spec=cc4dnoesy, no=729, id=717, vol=3.500730e+01
assign (segid "AAAA" and resid   33 and name   HA) (segid "AAAA" and resid   33 and name  HD1) 2.354 0.693 0.693 weight 1.000 ! spec=cc4dnoesy, no=731, id=718, vol=4.172230e+01
    or (segid "AAAA" and resid   33 and name   HA) (segid "AAAA" and resid   33 and name  HD2)
assign (segid "BBBB" and resid   79 and name HG12) (segid "AAAA" and resid   69 and name   HA) 3.002 1.127 1.127 weight 1.000 ! spec=cc4dnoesy, no=732, id=719, vol=9.705000e+00
    or (segid "BBBB" and resid   79 and name HG11) (segid "AAAA" and resid   69 and name   HA)
    or (segid "BBBB" and resid   79 and name HG13) (segid "AAAA" and resid   69 and name   HA)
assign (segid "AAAA" and resid   36 and name  HB2) (segid "AAAA" and resid   33 and name   HA) 2.566 0.823 0.823 weight 1.000 ! spec=cc4dnoesy, no=733, id=720, vol=2.492070e+01
    or (segid "AAAA" and resid   36 and name  HB1) (segid "AAAA" and resid   33 and name   HA)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "AAAA" and resid   33 and name   HA)
assign (segid "AAAA" and resid   20 and name   HA) (segid "AAAA" and resid   14 and name   HA) 2.241 0.628 0.628 weight 1.000 ! spec=cc4dnoesy, no=735, id=722, vol=5.605250e+01
assign (segid "AAAA" and resid   54 and name   HA) (segid "AAAA" and resid   57 and name  HB2) 2.619 0.857 0.857 weight 1.000 ! spec=cc4dnoesy, no=739, id=726, vol=2.201600e+01
assign (segid "AAAA" and resid   38 and name HG12) (segid "AAAA" and resid   38 and name HD12) 2.210 0.610 0.610 weight 1.000 ! spec=cc4dnoesy, no=740, id=727, vol=6.102860e+01
    or (segid "AAAA" and resid   38 and name HG12) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   38 and name HG12) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   38 and name HD12) 2.247 0.631 0.631 weight 1.000 ! spec=cc4dnoesy, no=741, id=728, vol=5.527780e+01
    or (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   38 and name HG11) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   38 and name HD12) (segid "BBBB" and resid   83 and name HD12) 3.027 1.145 1.145 weight 1.000 ! spec=cc4dnoesy, no=742, id=729, vol=9.239100e+00
    or (segid "AAAA" and resid   38 and name HD12) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   38 and name HD12) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   38 and name HD11) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   38 and name HD11) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   38 and name HD11) (segid "BBBB" and resid   83 and name HD13)
    or (segid "AAAA" and resid   38 and name HD13) (segid "BBBB" and resid   83 and name HD12)
    or (segid "AAAA" and resid   38 and name HD13) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   38 and name HD13) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   36 and name  HB2) (segid "AAAA" and resid   38 and name HD12) 2.230 0.621 0.621 weight 1.000 ! spec=cc4dnoesy, no=743, id=730, vol=5.783520e+01
    or (segid "AAAA" and resid   36 and name  HB2) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   36 and name  HB2) (segid "AAAA" and resid   38 and name HD13)
    or (segid "AAAA" and resid   36 and name  HB1) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   36 and name  HB1) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   36 and name  HB1) (segid "AAAA" and resid   38 and name HD13)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "AAAA" and resid   38 and name HD12)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   54 and name   HA) (segid "AAAA" and resid   54 and name  HB2) 2.593 0.840 0.840 weight 1.000 ! spec=cc4dnoesy, no=745, id=732, vol=2.339650e+01
assign (segid "AAAA" and resid   54 and name   HA) (segid "AAAA" and resid   54 and name  HB1) 2.466 0.760 0.760 weight 1.000 ! spec=cc4dnoesy, no=746, id=733, vol=3.156330e+01
assign (segid "AAAA" and resid   38 and name   HB) (segid "AAAA" and resid   38 and name HD12) 2.452 0.751 0.751 weight 1.000 ! spec=cc4dnoesy, no=749, id=736, vol=3.272670e+01
    or (segid "AAAA" and resid   38 and name   HB) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   38 and name   HB) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   33 and name   HA) (segid "AAAA" and resid   38 and name HD12) 2.664 0.887 0.887 weight 1.000 ! spec=cc4dnoesy, no=750, id=737, vol=1.989410e+01
    or (segid "AAAA" and resid   33 and name   HA) (segid "AAAA" and resid   38 and name HD11)
    or (segid "AAAA" and resid   33 and name   HA) (segid "AAAA" and resid   38 and name HD13)
assign (segid "AAAA" and resid   71 and name  HG1) (segid "AAAA" and resid   71 and name   HA) 1.913 0.457 0.457 weight 1.000 ! spec=cc4dnoesy, no=752, id=739, vol=1.449791e+02
assign (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   43 and name   HA) 2.093 0.548 0.548 weight 1.000 ! spec=cc4dnoesy, no=754, id=741, vol=8.444850e+01
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   43 and name   HA)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   43 and name   HA)
assign (segid "AAAA" and resid   29 and name HD12) (segid "AAAA" and resid   29 and name   HA) 2.181 0.595 0.595 weight 1.000 ! spec=cc4dnoesy, no=755, id=742, vol=6.595970e+01
    or (segid "AAAA" and resid   29 and name HD11) (segid "AAAA" and resid   29 and name   HA)
    or (segid "AAAA" and resid   29 and name HD13) (segid "AAAA" and resid   29 and name   HA)
assign (segid "BBBB" and resid   95 and name  HB2) (segid "AAAA" and resid   39 and name   HA) 3.102 1.202 1.202 weight 1.000 ! spec=cc4dnoesy, no=758, id=745, vol=7.982500e+00
    or (segid "BBBB" and resid   95 and name  HB1) (segid "AAAA" and resid   39 and name   HA)
    or (segid "BBBB" and resid   95 and name  HB3) (segid "AAAA" and resid   39 and name   HA)
assign (segid "AAAA" and resid   46 and name  HB2) (segid "AAAA" and resid   46 and name   HA) 1.868 0.436 0.436 weight 1.000 ! spec=cc4dnoesy, no=760, id=747, vol=1.674116e+02
    or (segid "AAAA" and resid   46 and name  HB1) (segid "AAAA" and resid   46 and name   HA)
    or (segid "AAAA" and resid   46 and name  HB3) (segid "AAAA" and resid   46 and name   HA)
assign (segid "AAAA" and resid   58 and name  HB1) (segid "AAAA" and resid   58 and name   HA) 2.322 0.674 0.674 weight 1.000 ! spec=cc4dnoesy, no=761, id=748, vol=4.536420e+01
assign (segid "AAAA" and resid   29 and name  HB2) (segid "AAAA" and resid   29 and name   HA) 2.527 0.798 0.798 weight 1.000 ! spec=cc4dnoesy, no=763, id=750, vol=2.730990e+01
assign (segid "AAAA" and resid   11 and name  HB1) (segid "AAAA" and resid   11 and name   HA) 2.092 0.547 0.547 weight 1.000 ! spec=cc4dnoesy, no=764, id=751, vol=8.471670e+01
assign (segid "BBBB" and resid   90 and name   HA) (segid "BBBB" and resid   90 and name  HB2) 2.403 0.722 0.722 weight 1.000 ! spec=cc4dnoesy, no=765, id=752, vol=3.689830e+01
assign (segid "BBBB" and resid   90 and name  HB1) (segid "BBBB" and resid   90 and name   HA) 2.516 0.791 0.791 weight 1.000 ! spec=cc4dnoesy, no=766, id=753, vol=2.803290e+01
assign (segid "BBBB" and resid  102 and name HD12) (segid "BBBB" and resid  102 and name HG11) 2.565 0.823 0.823 weight 1.000 ! spec=cc4dnoesy, no=767, id=754, vol=2.493300e+01
    or (segid "BBBB" and resid  102 and name HD11) (segid "BBBB" and resid  102 and name HG11)
    or (segid "BBBB" and resid  102 and name HD13) (segid "BBBB" and resid  102 and name HG11)
assign (segid "AAAA" and resid   51 and name HD22) (segid "BBBB" and resid   92 and name HD12) 2.857 1.020 1.020 weight 1.000 ! spec=cc4dnoesy, no=769, id=756, vol=1.306250e+01
    or (segid "AAAA" and resid   51 and name HD22) (segid "BBBB" and resid   92 and name HD11)
    or (segid "AAAA" and resid   51 and name HD22) (segid "BBBB" and resid   92 and name HD13)
    or (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   92 and name HD12)
    or (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   92 and name HD11)
    or (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   92 and name HD13)
    or (segid "AAAA" and resid   51 and name HD23) (segid "BBBB" and resid   92 and name HD12)
    or (segid "AAAA" and resid   51 and name HD23) (segid "BBBB" and resid   92 and name HD11)
    or (segid "AAAA" and resid   51 and name HD23) (segid "BBBB" and resid   92 and name HD13)
assign (segid "AAAA" and resid   11 and name   HA) (segid "AAAA" and resid   12 and name HG22) 3.280 1.345 1.345 weight 1.000 ! spec=cc4dnoesy, no=772, id=759, vol=5.703200e+00
    or (segid "AAAA" and resid   11 and name   HA) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   11 and name   HA) (segid "AAAA" and resid   12 and name HG23)
assign (segid "AAAA" and resid   43 and name   HA) (segid "AAAA" and resid   43 and name  HB2) 2.878 1.035 1.035 weight 1.000 ! spec=cc4dnoesy, no=774, id=761, vol=1.250900e+01
assign (segid "BBBB" and resid   92 and name   HB) (segid "BBBB" and resid   92 and name HD12) 2.460 0.757 0.757 weight 1.000 ! spec=cc4dnoesy, no=776, id=763, vol=3.205500e+01
    or (segid "BBBB" and resid   92 and name   HB) (segid "BBBB" and resid   92 and name HD11)
    or (segid "BBBB" and resid   92 and name   HB) (segid "BBBB" and resid   92 and name HD13)
assign (segid "BBBB" and resid   92 and name   HA) (segid "BBBB" and resid   92 and name HD12) 2.394 0.716 0.716 weight 1.000 ! spec=cc4dnoesy, no=777, id=764, vol=3.773250e+01
    or (segid "BBBB" and resid   92 and name   HA) (segid "BBBB" and resid   92 and name HD11)
    or (segid "BBBB" and resid   92 and name   HA) (segid "BBBB" and resid   92 and name HD13)
assign (segid "BBBB" and resid  100 and name  HG1) (segid "BBBB" and resid  100 and name   HA) 2.482 0.770 0.770 weight 1.000 ! spec=cc4dnoesy, no=779, id=766, vol=3.037130e+01
assign (segid "AAAA" and resid    7 and name   HA) (segid "AAAA" and resid    7 and name  HB1) 2.234 0.624 0.624 weight 1.000 ! spec=cc4dnoesy, no=786, id=773, vol=5.711920e+01
assign (segid "AAAA" and resid   32 and name HD22) (segid "BBBB" and resid   80 and name   HA) 2.174 0.591 0.591 weight 1.000 ! spec=cc4dnoesy, no=790, id=777, vol=6.724280e+01
    or (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   80 and name   HA)
    or (segid "AAAA" and resid   32 and name HD23) (segid "BBBB" and resid   80 and name   HA)
assign (segid "BBBB" and resid   83 and name  HB2) (segid "BBBB" and resid   80 and name   HA) 2.928 1.072 1.072 weight 1.000 ! spec=cc4dnoesy, no=792, id=779, vol=1.127280e+01
assign (segid "BBBB" and resid   88 and name  HB2) (segid "BBBB" and resid   88 and name   HA) 1.816 0.412 0.412 weight 1.000 ! spec=cc4dnoesy, no=793, id=780, vol=1.981518e+02
    or (segid "BBBB" and resid   88 and name  HB1) (segid "BBBB" and resid   88 and name   HA)
    or (segid "BBBB" and resid   88 and name  HB3) (segid "BBBB" and resid   88 and name   HA)
assign (segid "AAAA" and resid   59 and name  HB1) (segid "AAAA" and resid   59 and name  HG1) 2.758 0.951 0.951 weight 1.000 ! spec=cc4dnoesy, no=795, id=782, vol=1.613270e+01
assign (segid "AAAA" and resid    9 and name   HB) (segid "AAAA" and resid    9 and name   HA) 2.364 0.698 0.698 weight 1.000 ! spec=cc4dnoesy, no=797, id=784, vol=4.074890e+01
assign (segid "AAAA" and resid   25 and name HD22) (segid "AAAA" and resid   25 and name   HA) 2.106 0.555 0.555 weight 1.000 ! spec=cc4dnoesy, no=804, id=791, vol=8.138520e+01
    or (segid "AAAA" and resid   25 and name HD21) (segid "AAAA" and resid   25 and name   HA)
    or (segid "AAAA" and resid   25 and name HD23) (segid "AAAA" and resid   25 and name   HA)
assign (segid "AAAA" and resid   25 and name   HA) (segid "AAAA" and resid   25 and name  HB2) 2.403 0.722 0.722 weight 1.000 ! spec=cc4dnoesy, no=806, id=793, vol=3.691260e+01
assign (segid "AAAA" and resid   25 and name   HA) (segid "AAAA" and resid   25 and name  HB1) 2.379 0.707 0.707 weight 1.000 ! spec=cc4dnoesy, no=807, id=794, vol=3.922530e+01
assign (segid "BBBB" and resid   78 and name  HB1) (segid "BBBB" and resid   78 and name   HA) 2.299 0.660 0.660 weight 1.000 ! spec=cc4dnoesy, no=809, id=796, vol=4.817130e+01
assign (segid "BBBB" and resid   78 and name  HB2) (segid "BBBB" and resid   78 and name   HA) 2.309 0.666 0.666 weight 1.000 ! spec=cc4dnoesy, no=810, id=797, vol=4.694450e+01
assign (segid "AAAA" and resid   12 and name   HB) (segid "AAAA" and resid   12 and name   HA) 2.269 0.643 0.643 weight 1.000 ! spec=cc4dnoesy, no=811, id=798, vol=5.213580e+01
assign (segid "AAAA" and resid   27 and name  HD2) (segid "AAAA" and resid   26 and name   HA) 2.119 0.561 0.561 weight 1.000 ! spec=cc4dnoesy, no=813, id=800, vol=7.850750e+01
assign (segid "AAAA" and resid   15 and name  HB1) (segid "AAAA" and resid   15 and name   HA) 2.428 0.737 0.737 weight 1.000 ! spec=cc4dnoesy, no=814, id=801, vol=3.468420e+01
assign (segid "BBBB" and resid   79 and name HG22) (segid "AAAA" and resid   65 and name   HA) 2.553 0.815 0.815 weight 1.000 ! spec=cc4dnoesy, no=816, id=803, vol=2.564000e+01
    or (segid "BBBB" and resid   79 and name HG21) (segid "AAAA" and resid   65 and name   HA)
    or (segid "BBBB" and resid   79 and name HG23) (segid "AAAA" and resid   65 and name   HA)
assign (segid "AAAA" and resid   42 and name  HG1) (segid "AAAA" and resid   42 and name   HA) 2.358 0.695 0.695 weight 1.000 ! spec=cc4dnoesy, no=820, id=806, vol=4.130530e+01
assign (segid "BBBB" and resid   87 and name  HB2) (segid "BBBB" and resid   87 and name   HG) 2.923 1.068 1.068 weight 1.000 ! spec=cc4dnoesy, no=832, id=816, vol=1.139090e+01
assign (segid "AAAA" and resid   26 and name   HA) (segid "AAAA" and resid   27 and name  HD1) 1.961 0.481 0.481 weight 1.000 ! spec=cc4dnoesy, no=833, id=817, vol=1.250328e+02
assign (segid "AAAA" and resid   65 and name HG12) (segid "AAAA" and resid   65 and name   HB) 2.009 0.505 0.505 weight 1.000 ! spec=cc4dnoesy, no=835, id=819, vol=1.079389e+02
    or (segid "AAAA" and resid   65 and name HG11) (segid "AAAA" and resid   65 and name   HB)
    or (segid "AAAA" and resid   65 and name HG13) (segid "AAAA" and resid   65 and name   HB)
assign (segid "BBBB" and resid   97 and name  HB2) (segid "BBBB" and resid   97 and name   HA) 2.037 0.519 0.519 weight 1.000 ! spec=cc4dnoesy, no=836, id=820, vol=9.945010e+01
assign (segid "BBBB" and resid   93 and name   HA) (segid "BBBB" and resid   94 and name  HD2) 1.975 0.488 0.488 weight 1.000 ! spec=cc4dnoesy, no=837, id=821, vol=1.195713e+02
assign (segid "AAAA" and resid   42 and name  HB2) (segid "AAAA" and resid   48 and name HG21) 2.546 0.810 0.810 weight 1.000 ! spec=cc4dnoesy, no=841, id=824, vol=2.611390e+01
    or (segid "AAAA" and resid   42 and name  HB2) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   42 and name  HB2) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   30 and name  HB2) (segid "AAAA" and resid   30 and name   HA) 1.974 0.487 0.487 weight 1.000 ! spec=cc4dnoesy, no=845, id=828, vol=1.200272e+02
assign (segid "BBBB" and resid   89 and name  HB1) (segid "BBBB" and resid   89 and name   HA) 1.902 0.452 0.452 weight 1.000 ! spec=cc4dnoesy, no=846, id=829, vol=1.498723e+02
assign (segid "AAAA" and resid   56 and name HG11) (segid "AAAA" and resid   56 and name HG12) 2.048 0.524 0.524 weight 1.000 ! spec=cc4dnoesy, no=847, id=830, vol=9.634880e+01
assign (segid "BBBB" and resid   94 and name  HD1) (segid "BBBB" and resid   93 and name   HA) 1.764 0.389 0.389 weight 1.000 ! spec=cc4dnoesy, no=849, id=832, vol=2.358514e+02
assign (segid "BBBB" and resid   82 and name  HG2) (segid "BBBB" and resid   82 and name  HD1) 2.275 0.647 0.647 weight 1.000 ! spec=cc4dnoesy, no=851, id=834, vol=5.125330e+01
assign (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name  HB1) 2.650 0.878 0.878 weight 1.000 ! spec=cc4dnoesy, no=854, id=837, vol=2.051550e+01
assign (segid "AAAA" and resid   32 and name   HG) (segid "AAAA" and resid   32 and name  HB2) 2.442 0.746 0.746 weight 1.000 ! spec=cc4dnoesy, no=855, id=838, vol=3.348960e+01
assign (segid "AAAA" and resid   35 and name  HG2) (segid "AAAA" and resid   35 and name   HA) 2.008 0.504 0.504 weight 1.000 ! spec=cc4dnoesy, no=857, id=840, vol=1.083042e+02
assign (segid "AAAA" and resid   35 and name  HG1) (segid "AAAA" and resid   35 and name   HA) 2.196 0.603 0.603 weight 1.000 ! spec=cc4dnoesy, no=858, id=841, vol=6.343640e+01
assign (segid "BBBB" and resid   76 and name   HG) (segid "BBBB" and resid   76 and name   HA) 2.944 1.083 1.083 weight 1.000 ! spec=cc4dnoesy, no=859, id=842, vol=1.091530e+01
assign (segid "BBBB" and resid   87 and name   HG) (segid "BBBB" and resid   87 and name HD12) 2.105 0.554 0.554 weight 1.000 ! spec=cc4dnoesy, no=860, id=843, vol=8.158620e+01
    or (segid "BBBB" and resid   87 and name   HG) (segid "BBBB" and resid   87 and name HD11)
    or (segid "BBBB" and resid   87 and name   HG) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   51 and name HD12) (segid "AAAA" and resid   51 and name  HB1) 2.183 0.596 0.596 weight 1.000 ! spec=cc4dnoesy, no=865, id=848, vol=6.570260e+01
    or (segid "AAAA" and resid   51 and name HD11) (segid "AAAA" and resid   51 and name  HB1)
    or (segid "AAAA" and resid   51 and name HD13) (segid "AAAA" and resid   51 and name  HB1)
assign (segid "AAAA" and resid   29 and name   HG) (segid "AAAA" and resid   29 and name  HB1) 2.431 0.739 0.739 weight 1.000 ! spec=cc4dnoesy, no=866, id=849, vol=3.442280e+01
assign (segid "BBBB" and resid   83 and name HD22) (segid "AAAA" and resid   38 and name HD12) 2.087 0.545 0.545 weight 1.000 ! spec=cc4dnoesy, no=868, id=851, vol=8.594730e+01
    or (segid "BBBB" and resid   83 and name HD22) (segid "AAAA" and resid   38 and name HD11)
    or (segid "BBBB" and resid   83 and name HD22) (segid "AAAA" and resid   38 and name HD13)
    or (segid "BBBB" and resid   83 and name HD21) (segid "AAAA" and resid   38 and name HD12)
    or (segid "BBBB" and resid   83 and name HD21) (segid "AAAA" and resid   38 and name HD11)
    or (segid "BBBB" and resid   83 and name HD21) (segid "AAAA" and resid   38 and name HD13)
    or (segid "BBBB" and resid   83 and name HD23) (segid "AAAA" and resid   38 and name HD12)
    or (segid "BBBB" and resid   83 and name HD23) (segid "AAAA" and resid   38 and name HD11)
    or (segid "BBBB" and resid   83 and name HD23) (segid "AAAA" and resid   38 and name HD13)
assign (segid "BBBB" and resid  102 and name HD12) (segid "BBBB" and resid  102 and name HG12) 1.899 0.451 0.451 weight 1.000 ! spec=cc4dnoesy, no=869, id=852, vol=1.515070e+02
    or (segid "BBBB" and resid  102 and name HD11) (segid "BBBB" and resid  102 and name HG12)
    or (segid "BBBB" and resid  102 and name HD13) (segid "BBBB" and resid  102 and name HG12)
assign (segid "AAAA" and resid   43 and name   HG) (segid "AAAA" and resid   43 and name HD12) 1.919 0.460 0.460 weight 1.000 ! spec=cc4dnoesy, no=870, id=853, vol=1.422564e+02
    or (segid "AAAA" and resid   43 and name   HG) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   43 and name   HG) (segid "AAAA" and resid   43 and name HD13)
assign (segid "AAAA" and resid   32 and name HD12) (segid "BBBB" and resid   79 and name HG12) 2.243 0.629 0.629 weight 1.000 ! spec=cc4dnoesy, no=871, id=854, vol=5.580820e+01
    or (segid "AAAA" and resid   32 and name HD12) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   32 and name HD12) (segid "BBBB" and resid   79 and name HG13)
    or (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG12)
    or (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG13)
    or (segid "AAAA" and resid   32 and name HD13) (segid "BBBB" and resid   79 and name HG12)
    or (segid "AAAA" and resid   32 and name HD13) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   32 and name HD13) (segid "BBBB" and resid   79 and name HG13)
assign (segid "AAAA" and resid   43 and name   HG) (segid "AAAA" and resid   43 and name  HB1) 2.710 0.918 0.918 weight 1.000 ! spec=cc4dnoesy, no=872, id=855, vol=1.794800e+01
assign (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   32 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=cc4dnoesy, no=875, id=858, vol=1.148580e+01
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   32 and name   HA)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   32 and name   HA)
assign (segid "BBBB" and resid   87 and name HD22) (segid "BBBB" and resid   83 and name HD12) 1.941 0.471 0.471 weight 1.000 ! spec=cc4dnoesy, no=877, id=860, vol=1.328484e+02
    or (segid "BBBB" and resid   87 and name HD22) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   87 and name HD22) (segid "BBBB" and resid   83 and name HD13)
    or (segid "BBBB" and resid   87 and name HD21) (segid "BBBB" and resid   83 and name HD12)
    or (segid "BBBB" and resid   87 and name HD21) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   87 and name HD21) (segid "BBBB" and resid   83 and name HD13)
    or (segid "BBBB" and resid   87 and name HD23) (segid "BBBB" and resid   83 and name HD12)
    or (segid "BBBB" and resid   87 and name HD23) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   87 and name HD23) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   25 and name  HB2) 2.240 0.627 0.627 weight 1.000 ! spec=cc4dnoesy, no=878, id=861, vol=5.632460e+01
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   25 and name  HB2)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   25 and name  HB2)
assign (segid "AAAA" and resid   44 and name   HB) (segid "AAAA" and resid   44 and name   HA) 2.132 0.568 0.568 weight 1.000 ! spec=cc4dnoesy, no=879, id=862, vol=7.559670e+01
assign (segid "AAAA" and resid   32 and name HD12) (segid "AAAA" and resid   29 and name   HA) 2.897 1.049 1.049 weight 1.000 ! spec=cc4dnoesy, no=882, id=865, vol=1.201730e+01
    or (segid "AAAA" and resid   32 and name HD11) (segid "AAAA" and resid   29 and name   HA)
    or (segid "AAAA" and resid   32 and name HD13) (segid "AAAA" and resid   29 and name   HA)
assign (segid "BBBB" and resid   76 and name HD22) (segid "BBBB" and resid   77 and name  HD2) 3.290 1.353 1.353 weight 1.000 ! spec=cc4dnoesy, no=884, id=867, vol=5.600800e+00
    or (segid "BBBB" and resid   76 and name HD21) (segid "BBBB" and resid   77 and name  HD2)
    or (segid "BBBB" and resid   76 and name HD23) (segid "BBBB" and resid   77 and name  HD2)
assign (segid "AAAA" and resid   25 and name HD12) (segid "AAAA" and resid   22 and name   HA) 2.431 0.738 0.738 weight 1.000 ! spec=cc4dnoesy, no=885, id=868, vol=3.446560e+01
    or (segid "AAAA" and resid   25 and name HD11) (segid "AAAA" and resid   22 and name   HA)
    or (segid "AAAA" and resid   25 and name HD13) (segid "AAAA" and resid   22 and name   HA)
assign (segid "AAAA" and resid   51 and name HD22) (segid "BBBB" and resid   90 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=cc4dnoesy, no=888, id=871, vol=6.499300e+00
    or (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   90 and name  HB2)
    or (segid "AAAA" and resid   51 and name HD23) (segid "BBBB" and resid   90 and name  HB2)
assign (segid "AAAA" and resid   48 and name HG21) (segid "BBBB" and resid   87 and name HD12) 2.207 0.609 0.609 weight 1.000 ! spec=cc4dnoesy, no=893, id=876, vol=6.143020e+01
    or (segid "AAAA" and resid   48 and name HG21) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   48 and name HG21) (segid "BBBB" and resid   87 and name HD13)
    or (segid "AAAA" and resid   48 and name HG22) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   48 and name HG22) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   48 and name HG22) (segid "BBBB" and resid   87 and name HD13)
    or (segid "AAAA" and resid   48 and name HG23) (segid "BBBB" and resid   87 and name HD12)
    or (segid "AAAA" and resid   48 and name HG23) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   48 and name HG23) (segid "BBBB" and resid   87 and name HD13)
assign (segid "BBBB" and resid   79 and name HG22) (segid "BBBB" and resid   79 and name   HB) 1.748 0.382 0.382 weight 1.000 ! spec=cc4dnoesy, no=895, id=878, vol=2.489930e+02
    or (segid "BBBB" and resid   79 and name HG21) (segid "BBBB" and resid   79 and name   HB)
    or (segid "BBBB" and resid   79 and name HG23) (segid "BBBB" and resid   79 and name   HB)
assign (segid "AAAA" and resid   22 and name HG12) (segid "AAAA" and resid   22 and name   HB) 1.826 0.417 0.417 weight 1.000 ! spec=cc4dnoesy, no=896, id=879, vol=1.914865e+02
    or (segid "AAAA" and resid   22 and name HG11) (segid "AAAA" and resid   22 and name   HB)
    or (segid "AAAA" and resid   22 and name HG13) (segid "AAAA" and resid   22 and name   HB)
assign (segid "AAAA" and resid   60 and name  HA1) (segid "AAAA" and resid   64 and name  HB2) 2.595 0.842 0.842 weight 1.000 ! spec=cc4dnoesy, no=899, id=882, vol=2.327580e+01
    or (segid "AAAA" and resid   60 and name  HA1) (segid "AAAA" and resid   64 and name  HB1)
    or (segid "AAAA" and resid   60 and name  HA1) (segid "AAAA" and resid   64 and name  HB3)
assign (segid "AAAA" and resid   39 and name  HB1) (segid "AAAA" and resid   39 and name  HB2) 1.727 0.373 0.373 weight 1.000 ! spec=cc4dnoesy, no=904, id=887, vol=2.681045e+02
assign (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   83 and name HD12) 2.536 0.804 0.804 weight 1.000 ! spec=cc4dnoesy, no=905, id=888, vol=2.669830e+01
    or (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   83 and name HD11)
    or (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   83 and name HD13)
assign (segid "BBBB" and resid   83 and name HD12) (segid "AAAA" and resid   55 and name  HB2) 3.144 1.236 1.236 weight 1.000 ! spec=cc4dnoesy, no=908, id=891, vol=7.352400e+00
    or (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HB2)
    or (segid "BBBB" and resid   83 and name HD13) (segid "AAAA" and resid   55 and name  HB2)
assign (segid "BBBB" and resid   83 and name HD12) (segid "AAAA" and resid   55 and name  HB1) 3.356 1.408 1.408 weight 1.000 ! spec=cc4dnoesy, no=909, id=892, vol=4.971500e+00
    or (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HB1)
    or (segid "BBBB" and resid   83 and name HD13) (segid "AAAA" and resid   55 and name  HB1)
assign (segid "AAAA" and resid   45 and name  HB2) (segid "AAAA" and resid   48 and name   HB) 2.520 0.794 0.794 weight 1.000 ! spec=cc4dnoesy, no=912, id=895, vol=2.773570e+01
assign (segid "AAAA" and resid   44 and name HG21) (segid "AAAA" and resid   44 and name   HA) 2.108 0.556 0.556 weight 1.000 ! spec=cc4dnoesy, no=913, id=896, vol=8.087440e+01
    or (segid "AAAA" and resid   44 and name HG22) (segid "AAAA" and resid   44 and name   HA)
    or (segid "AAAA" and resid   44 and name HG23) (segid "AAAA" and resid   44 and name   HA)
assign (segid "AAAA" and resid   22 and name   HA) (segid "AAAA" and resid   22 and name   HB) 1.953 0.477 0.477 weight 1.000 ! spec=cc4dnoesy, no=914, id=897, vol=1.282424e+02
assign (segid "AAAA" and resid   71 and name  HD2) (segid "AAAA" and resid   68 and name   HA) 2.301 0.662 0.662 weight 1.000 ! spec=cc4dnoesy, no=917, id=900, vol=4.792680e+01
assign (segid "AAAA" and resid   56 and name   HA) (segid "AAAA" and resid   56 and name   HB) 2.933 1.075 1.075 weight 1.000 ! spec=cc4dnoesy, no=918, id=901, vol=1.116480e+01
assign (segid "AAAA" and resid   51 and name  HB2) (segid "BBBB" and resid   87 and name HD12) 2.756 0.949 0.949 weight 1.000 ! spec=cc4dnoesy, no=919, id=902, vol=1.621450e+01
    or (segid "AAAA" and resid   51 and name  HB2) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   51 and name  HB2) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   22 and name HG22) (segid "AAAA" and resid   44 and name HG21) 2.171 0.589 0.589 weight 1.000 ! spec=cc4dnoesy, no=920, id=903, vol=6.791000e+01
    or (segid "AAAA" and resid   22 and name HG22) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   22 and name HG22) (segid "AAAA" and resid   44 and name HG23)
    or (segid "AAAA" and resid   22 and name HG21) (segid "AAAA" and resid   44 and name HG21)
    or (segid "AAAA" and resid   22 and name HG21) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   22 and name HG21) (segid "AAAA" and resid   44 and name HG23)
    or (segid "AAAA" and resid   22 and name HG23) (segid "AAAA" and resid   44 and name HG21)
    or (segid "AAAA" and resid   22 and name HG23) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   22 and name HG23) (segid "AAAA" and resid   44 and name HG23)
assign (segid "BBBB" and resid   79 and name HG12) (segid "BBBB" and resid   80 and name   HA) 3.317 1.375 1.375 weight 1.000 ! spec=cc4dnoesy, no=926, id=909, vol=5.333600e+00
    or (segid "BBBB" and resid   79 and name HG11) (segid "BBBB" and resid   80 and name   HA)
    or (segid "BBBB" and resid   79 and name HG13) (segid "BBBB" and resid   80 and name   HA)
assign (segid "AAAA" and resid   62 and name  HB1) (segid "AAAA" and resid   62 and name HD22) 2.537 0.805 0.805 weight 1.000 ! spec=cc4dnoesy, no=928, id=911, vol=2.662050e+01
    or (segid "AAAA" and resid   62 and name  HB1) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   62 and name  HB1) (segid "AAAA" and resid   62 and name HD23)
assign (segid "AAAA" and resid   36 and name  HB2) (segid "BBBB" and resid   84 and name  HG1) 3.059 1.169 1.169 weight 1.000 ! spec=cc4dnoesy, no=929, id=912, vol=8.679400e+00
    or (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HG1)
    or (segid "AAAA" and resid   36 and name  HB3) (segid "BBBB" and resid   84 and name  HG1)
assign (segid "BBBB" and resid   94 and name   HA) (segid "BBBB" and resid   94 and name  HB1) 2.274 0.647 0.647 weight 1.000 ! spec=cc4dnoesy, no=931, id=914, vol=5.135010e+01
assign (segid "BBBB" and resid   95 and name  HB2) (segid "AAAA" and resid   39 and name  HB2) 2.891 1.044 1.044 weight 1.000 ! spec=cc4dnoesy, no=934, id=917, vol=1.218160e+01
    or (segid "BBBB" and resid   95 and name  HB1) (segid "AAAA" and resid   39 and name  HB2)
    or (segid "BBBB" and resid   95 and name  HB3) (segid "AAAA" and resid   39 and name  HB2)
assign (segid "BBBB" and resid   77 and name   HA) (segid "BBBB" and resid   77 and name  HB1) 2.416 0.729 0.729 weight 1.000 ! spec=cc4dnoesy, no=935, id=918, vol=3.575900e+01
assign (segid "BBBB" and resid   77 and name   HA) (segid "BBBB" and resid   77 and name  HB2) 2.736 0.936 0.936 weight 1.000 ! spec=cc4dnoesy, no=936, id=919, vol=1.693460e+01
assign (segid "BBBB" and resid  106 and name   HA) (segid "BBBB" and resid  106 and name  HB1) 2.456 0.754 0.754 weight 1.000 ! spec=cc4dnoesy, no=937, id=920, vol=3.236200e+01
assign (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   53 and name  HD1) 2.639 0.871 0.871 weight 1.000 ! spec=cc4dnoesy, no=940, id=923, vol=2.101810e+01
    or (segid "AAAA" and resid   53 and name   HA) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid   52 and name HG22) (segid "AAAA" and resid   53 and name   HA) 3.256 1.325 1.325 weight 1.000 ! spec=cc4dnoesy, no=941, id=924, vol=5.962100e+00
    or (segid "AAAA" and resid   52 and name HG21) (segid "AAAA" and resid   53 and name   HA)
    or (segid "AAAA" and resid   52 and name HG23) (segid "AAAA" and resid   53 and name   HA)
assign (segid "AAAA" and resid   31 and name  HB2) (segid "AAAA" and resid   69 and name  HE2) 2.453 0.752 0.752 weight 1.000 ! spec=cc4dnoesy, no=943, id=926, vol=3.260820e+01
    or (segid "AAAA" and resid   31 and name  HB2) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   31 and name  HB2) (segid "AAAA" and resid   69 and name  HE3)
assign (segid "AAAA" and resid   31 and name  HB1) (segid "AAAA" and resid   28 and name   HA) 2.311 0.668 0.668 weight 1.000 ! spec=cc4dnoesy, no=946, id=929, vol=4.659340e+01
assign (segid "AAAA" and resid   31 and name  HB2) (segid "AAAA" and resid   28 and name   HA) 2.316 0.670 0.670 weight 1.000 ! spec=cc4dnoesy, no=947, id=930, vol=4.608370e+01
assign (segid "BBBB" and resid   80 and name  HB2) (segid "AAAA" and resid   36 and name   HA) 2.116 0.559 0.559 weight 1.000 ! spec=cc4dnoesy, no=948, id=931, vol=7.926840e+01
    or (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   36 and name   HA)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "AAAA" and resid   36 and name   HA)
assign (segid "BBBB" and resid   80 and name  HB2) (segid "BBBB" and resid   77 and name  HD2) 3.012 1.134 1.134 weight 1.000 ! spec=cc4dnoesy, no=949, id=932, vol=9.525100e+00
    or (segid "BBBB" and resid   80 and name  HB1) (segid "BBBB" and resid   77 and name  HD2)
    or (segid "BBBB" and resid   80 and name  HB3) (segid "BBBB" and resid   77 and name  HD2)
assign (segid "AAAA" and resid   20 and name  HB2) (segid "AAAA" and resid   20 and name   HA) 2.478 0.768 0.768 weight 1.000 ! spec=cc4dnoesy, no=953, id=936, vol=3.066020e+01
assign (segid "AAAA" and resid   47 and name  HG2) (segid "BBBB" and resid   87 and name  HB2) 4.468 2.495 2.495 weight 1.000 ! spec=cc4dnoesy, no=954, id=937, vol=8.937000e-01
assign (segid "AAAA" and resid   18 and name  HB1) (segid "AAAA" and resid   18 and name   HA) 1.975 0.488 0.488 weight 1.000 ! spec=cc4dnoesy, no=955, id=938, vol=1.196779e+02
assign (segid "BBBB" and resid   83 and name  HB2) (segid "BBBB" and resid   83 and name   HG) 2.919 1.065 1.065 weight 1.000 ! spec=cc4dnoesy, no=956, id=939, vol=1.149190e+01
assign (segid "AAAA" and resid   64 and name  HB2) (segid "AAAA" and resid   60 and name  HA2) 3.097 1.199 1.199 weight 1.000 ! spec=cc4dnoesy, no=957, id=940, vol=8.046500e+00
    or (segid "AAAA" and resid   64 and name  HB1) (segid "AAAA" and resid   60 and name  HA2)
    or (segid "AAAA" and resid   64 and name  HB3) (segid "AAAA" and resid   60 and name  HA2)
assign (segid "BBBB" and resid   83 and name  HB1) (segid "BBBB" and resid   83 and name HD12) 3.000 1.125 1.125 weight 1.000 ! spec=cc4dnoesy, no=958, id=941, vol=9.739500e+00
    or (segid "BBBB" and resid   83 and name  HB1) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   83 and name  HB1) (segid "BBBB" and resid   83 and name HD13)
assign (segid "BBBB" and resid   92 and name HG22) (segid "AAAA" and resid   48 and name HG21) 2.239 0.627 0.627 weight 1.000 ! spec=cc4dnoesy, no=961, id=944, vol=5.643450e+01
    or (segid "BBBB" and resid   92 and name HG22) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   92 and name HG22) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   92 and name HG21) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   92 and name HG21) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   92 and name HG21) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   92 and name HG23) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   92 and name HG23) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   92 and name HG23) (segid "AAAA" and resid   48 and name HG23)
assign (segid "BBBB" and resid   92 and name HG22) (segid "BBBB" and resid   87 and name  HB1) 2.948 1.086 1.086 weight 1.000 ! spec=cc4dnoesy, no=964, id=946, vol=1.082370e+01
    or (segid "BBBB" and resid   92 and name HG21) (segid "BBBB" and resid   87 and name  HB1)
    or (segid "BBBB" and resid   92 and name HG23) (segid "BBBB" and resid   87 and name  HB1)
assign (segid "AAAA" and resid    6 and name  HB2) (segid "AAAA" and resid    6 and name   HA) 2.424 0.735 0.735 weight 1.000 ! spec=cc4dnoesy, no=965, id=947, vol=3.500000e+01
assign (segid "AAAA" and resid    6 and name  HB1) (segid "AAAA" and resid    6 and name   HA) 2.174 0.591 0.591 weight 1.000 ! spec=cc4dnoesy, no=966, id=948, vol=6.724340e+01
assign (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   32 and name HD22) 2.402 0.721 0.721 weight 1.000 ! spec=cc4dnoesy, no=977, id=959, vol=3.702830e+01
    or (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   32 and name HD21)
    or (segid "AAAA" and resid   69 and name  HE2) (segid "AAAA" and resid   32 and name HD23)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   32 and name HD22)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   32 and name HD21)
    or (segid "AAAA" and resid   69 and name  HE1) (segid "AAAA" and resid   32 and name HD23)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   32 and name HD22)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   32 and name HD21)
    or (segid "AAAA" and resid   69 and name  HE3) (segid "AAAA" and resid   32 and name HD23)
assign (segid "AAAA" and resid   56 and name HG22) (segid "AAAA" and resid   61 and name  HA2) 3.096 1.198 1.198 weight 1.000 ! spec=cc4dnoesy, no=979, id=961, vol=8.072500e+00
    or (segid "AAAA" and resid   56 and name HG21) (segid "AAAA" and resid   61 and name  HA2)
    or (segid "AAAA" and resid   56 and name HG23) (segid "AAAA" and resid   61 and name  HA2)
assign (segid "BBBB" and resid   84 and name   HA) (segid "BBBB" and resid   87 and name HD22) 2.450 0.750 0.750 weight 1.000 ! spec=cc4dnoesy, no=986, id=968, vol=3.284700e+01
    or (segid "BBBB" and resid   84 and name   HA) (segid "BBBB" and resid   87 and name HD21)
    or (segid "BBBB" and resid   84 and name   HA) (segid "BBBB" and resid   87 and name HD23)
assign (segid "AAAA" and resid   53 and name  HB1) (segid "AAAA" and resid   53 and name  HD1) 2.602 0.846 0.846 weight 1.000 ! spec=cc4dnoesy, no=989, id=971, vol=2.289140e+01
    or (segid "AAAA" and resid   53 and name  HB1) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid   42 and name   HA) (segid "AAAA" and resid   45 and name  HB2) 3.046 1.160 1.160 weight 1.000 ! spec=cc4dnoesy, no=999, id=981, vol=8.898200e+00
assign (segid "BBBB" and resid   87 and name   HA) (segid "BBBB" and resid   92 and name   HB) 3.311 1.370 1.370 weight 1.000 ! spec=cc4dnoesy, no=1000, id=982, vol=5.397700e+00
assign (segid "BBBB" and resid  108 and name   HA) (segid "BBBB" and resid  108 and name  HB2) 2.645 0.875 0.875 weight 1.000 ! spec=cc4dnoesy, no=1002, id=984, vol=2.074710e+01
assign (segid "BBBB" and resid  100 and name  HG2) (segid "BBBB" and resid  100 and name   HA) 2.495 0.778 0.778 weight 1.000 ! spec=cc4dnoesy, no=1007, id=989, vol=2.945320e+01
assign (segid "AAAA" and resid   67 and name   HA) (segid "AAAA" and resid   67 and name  HG2) 2.373 0.704 0.704 weight 1.000 ! spec=cc4dnoesy, no=1008, id=990, vol=3.977000e+01
assign (segid "AAAA" and resid   42 and name  HG1) (segid "AAAA" and resid   42 and name  HB1) 2.687 0.902 0.902 weight 1.000 ! spec=cc4dnoesy, no=1009, id=991, vol=1.888730e+01
assign (segid "AAAA" and resid   42 and name  HG1) (segid "AAAA" and resid   42 and name  HB2) 2.951 1.089 1.089 weight 1.000 ! spec=cc4dnoesy, no=1010, id=992, vol=1.074930e+01
assign (segid "AAAA" and resid   51 and name   HA) (segid "AAAA" and resid   51 and name   HG) 2.483 0.771 0.771 weight 1.000 ! spec=cc4dnoesy, no=1013, id=995, vol=3.031480e+01
assign (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG12) 2.930 1.073 1.073 weight 1.000 ! spec=cc4dnoesy, no=1014, id=996, vol=1.123380e+01
    or (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HD12) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HD11) (segid "AAAA" and resid   12 and name HG13)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG12)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG11)
    or (segid "AAAA" and resid   56 and name HD13) (segid "AAAA" and resid   12 and name HG13)
assign (segid "AAAA" and resid   29 and name   HA) (segid "AAAA" and resid   32 and name  HB1) 2.385 0.711 0.711 weight 1.000 ! spec=cc4dnoesy, no=1020, id=1002, vol=3.860400e+01
assign (segid "AAAA" and resid   58 and name   HA) (segid "AAAA" and resid   58 and name  HB2) 2.215 0.613 0.613 weight 1.000 ! spec=cc4dnoesy, no=1021, id=1003, vol=6.016740e+01
assign (segid "BBBB" and resid   92 and name HD12) (segid "AAAA" and resid   48 and name HG21) 2.855 1.019 1.019 weight 1.000 ! spec=cc4dnoesy, no=1025, id=1007, vol=1.313540e+01
    or (segid "BBBB" and resid   92 and name HD12) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   92 and name HD12) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   92 and name HD11) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   92 and name HD11) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   92 and name HD11) (segid "AAAA" and resid   48 and name HG23)
    or (segid "BBBB" and resid   92 and name HD13) (segid "AAAA" and resid   48 and name HG21)
    or (segid "BBBB" and resid   92 and name HD13) (segid "AAAA" and resid   48 and name HG22)
    or (segid "BBBB" and resid   92 and name HD13) (segid "AAAA" and resid   48 and name HG23)
assign (segid "BBBB" and resid   80 and name   HA) (segid "BBBB" and resid   80 and name  HB2) 1.677 0.352 0.352 weight 1.000 ! spec=cc4dnoesy, no=1031, id=1013, vol=3.189306e+02
    or (segid "BBBB" and resid   80 and name   HA) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "BBBB" and resid   80 and name   HA) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "AAAA" and resid   59 and name  HG1) (segid "AAAA" and resid   59 and name  HB2) 2.568 0.824 0.824 weight 1.000 ! spec=cc4dnoesy, no=1032, id=1014, vol=2.480250e+01
assign (segid "BBBB" and resid   84 and name  HB1) (segid "BBBB" and resid   84 and name   HA) 2.250 0.633 0.633 weight 1.000 ! spec=cc4dnoesy, no=1036, id=1018, vol=5.472660e+01
assign (segid "AAAA" and resid   59 and name  HG1) (segid "AAAA" and resid   65 and name HG22) 3.217 1.293 1.293 weight 1.000 ! spec=cc4dnoesy, no=1042, id=1023, vol=6.416200e+00
    or (segid "AAAA" and resid   59 and name  HG1) (segid "AAAA" and resid   65 and name HG21)
    or (segid "AAAA" and resid   59 and name  HG1) (segid "AAAA" and resid   65 and name HG23)
assign (segid "BBBB" and resid   97 and name  HB1) (segid "BBBB" and resid   97 and name   HA) 2.035 0.518 0.518 weight 1.000 ! spec=cc4dnoesy, no=1048, id=1029, vol=1.000000e+02
assign (segid "AAAA" and resid   33 and name  HB1) (segid "AAAA" and resid   33 and name   HA) 2.517 0.792 0.792 weight 1.000 ! spec=cc4dnoesy, no=1050, id=1031, vol=2.796810e+01
assign (segid "AAAA" and resid   33 and name  HB2) (segid "AAAA" and resid   33 and name   HA) 2.590 0.839 0.839 weight 1.000 ! spec=cc4dnoesy, no=1051, id=1032, vol=2.351520e+01
assign (segid "BBBB" and resid   79 and name   HA) (segid "BBBB" and resid   79 and name HG12) 2.424 0.735 0.735 weight 1.000 ! spec=cc4dnoesy, no=1061, id=1041, vol=3.500000e+01
    or (segid "BBBB" and resid   79 and name   HA) (segid "BBBB" and resid   79 and name HG11)
    or (segid "BBBB" and resid   79 and name   HA) (segid "BBBB" and resid   79 and name HG13)
assign (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   20 and name  HE1) 2.679 0.897 0.897 weight 1.000 ! spec=cc4dnoesy, no=1062, id=1042, vol=1.921840e+01
    or (segid "AAAA" and resid   12 and name HG12) (segid "AAAA" and resid   20 and name  HE2)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   20 and name  HE1)
    or (segid "AAAA" and resid   12 and name HG11) (segid "AAAA" and resid   20 and name  HE2)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   20 and name  HE1)
    or (segid "AAAA" and resid   12 and name HG13) (segid "AAAA" and resid   20 and name  HE2)
assign (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   20 and name  HD1) 2.689 0.904 0.904 weight 1.000 ! spec=cc4dnoesy, no=1065, id=1045, vol=1.879580e+01
    or (segid "AAAA" and resid   43 and name HD22) (segid "AAAA" and resid   20 and name  HD2)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   20 and name  HD1)
    or (segid "AAAA" and resid   43 and name HD21) (segid "AAAA" and resid   20 and name  HD2)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   20 and name  HD1)
    or (segid "AAAA" and resid   43 and name HD23) (segid "AAAA" and resid   20 and name  HD2)
assign (segid "BBBB" and resid   79 and name HG12) (segid "BBBB" and resid   80 and name  HB2) 2.728 0.930 0.930 weight 1.000 ! spec=cc4dnoesy, no=1066, id=1046, vol=1.723120e+01
    or (segid "BBBB" and resid   79 and name HG12) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "BBBB" and resid   79 and name HG12) (segid "BBBB" and resid   80 and name  HB3)
    or (segid "BBBB" and resid   79 and name HG11) (segid "BBBB" and resid   80 and name  HB2)
    or (segid "BBBB" and resid   79 and name HG11) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "BBBB" and resid   79 and name HG11) (segid "BBBB" and resid   80 and name  HB3)
    or (segid "BBBB" and resid   79 and name HG13) (segid "BBBB" and resid   80 and name  HB2)
    or (segid "BBBB" and resid   79 and name HG13) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "BBBB" and resid   79 and name HG13) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG21) 3.896 1.897 1.897 weight 1.000 ! spec=inter_noe, no=5, id=2150, vol=2.141500e+00
assign (segid "AAAA" and resid   38 and name   HA) (segid "BBBB" and resid   95 and name  HB1) 4.172 2.175 2.175 weight 1.000 ! spec=inter_noe, no=7, id=2152, vol=1.420400e+00
assign (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   35 and name   HA) 4.191 2.196 2.196 weight 1.000 ! spec=inter_noe, no=8, id=2153, vol=1.381300e+00
assign (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   32 and name   HA) 3.593 1.614 1.614 weight 1.000 ! spec=inter_noe, no=9, id=2154, vol=3.480000e+00
assign (segid "AAAA" and resid   33 and name   HA) (segid "BBBB" and resid   83 and name HD21) 3.909 1.911 1.911 weight 1.000 ! spec=inter_noe, no=10, id=2155, vol=2.096700e+00
assign (segid "BBBB" and resid   79 and name HG11) (segid "AAAA" and resid   69 and name   HA) 3.436 1.476 1.476 weight 1.000 ! spec=inter_noe, no=11, id=2156, vol=4.548900e+00
assign (segid "BBBB" and resid   95 and name  HB1) (segid "AAAA" and resid   39 and name   HA) 3.947 1.947 1.947 weight 1.000 ! spec=inter_noe, no=12, id=2157, vol=1.981000e+00
assign (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   84 and name  HG2) 3.475 1.510 1.510 weight 1.000 ! spec=inter_noe, no=14, id=2159, vol=4.249400e+00
assign (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   84 and name  HE1) 3.608 1.628 1.628 weight 1.000 ! spec=inter_noe, no=15, id=2160, vol=3.391000e+00
assign (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   36 and name   HA) 3.000 1.125 1.125 weight 1.000 ! spec=inter_noe, no=16, id=2161, vol=1.026130e+01
assign (segid "BBBB" and resid   79 and name HG21) (segid "AAAA" and resid   65 and name   HA) 3.694 1.706 1.706 weight 1.000 ! spec=inter_noe, no=25, id=2164, vol=2.946800e+00
assign (segid "AAAA" and resid   65 and name   HA) (segid "BBBB" and resid   79 and name HG11) 3.692 1.704 1.704 weight 1.000 ! spec=inter_noe, no=26, id=2165, vol=2.955300e+00
assign (segid "BBBB" and resid   95 and name  HB1) (segid "AAAA" and resid   39 and name  HB2) 2.901 1.052 1.052 weight 1.000 ! spec=inter_noe, no=27, id=2166, vol=1.256670e+01
assign (segid "AAAA" and resid   39 and name  HB1) (segid "BBBB" and resid   95 and name  HB1) 2.712 0.919 0.919 weight 1.000 ! spec=inter_noe, no=28, id=2167, vol=1.881540e+01
assign (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   83 and name HD11) 2.903 1.054 1.054 weight 1.000 ! spec=inter_noe, no=29, id=2168, vol=1.250180e+01
assign (segid "AAAA" and resid   42 and name  HG1) (segid "BBBB" and resid   95 and name  HB1) 4.210 2.216 2.216 weight 1.000 ! spec=inter_noe, no=31, id=2170, vol=1.344400e+00
assign (segid "AAAA" and resid   69 and name  HG2) (segid "BBBB" and resid   79 and name HG11) 3.839 1.842 1.842 weight 1.000 ! spec=inter_noe, no=32, id=2171, vol=2.339800e+00
assign (segid "AAAA" and resid   69 and name  HG1) (segid "BBBB" and resid   79 and name HG11) 3.482 1.516 1.516 weight 1.000 ! spec=inter_noe, no=33, id=2172, vol=4.199500e+00
assign (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG21) 3.150 1.241 1.241 weight 1.000 ! spec=inter_noe, no=37, id=2174, vol=7.657900e+00
assign (segid "AAAA" and resid   68 and name  HB2) (segid "BBBB" and resid   79 and name HG11) 2.791 0.974 0.974 weight 1.000 ! spec=inter_noe, no=38, id=2175, vol=1.584270e+01
assign (segid "AAAA" and resid   35 and name  HG2) (segid "BBBB" and resid   80 and name  HB1) 3.732 1.741 1.741 weight 1.000 ! spec=inter_noe, no=39, id=2176, vol=2.768600e+00
assign (segid "AAAA" and resid   69 and name  HE1) (segid "BBBB" and resid   79 and name HG11) 3.164 1.251 1.251 weight 1.000 ! spec=inter_noe, no=43, id=2179, vol=7.467600e+00
assign (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HB2) 3.564 1.588 1.588 weight 1.000 ! spec=inter_noe, no=44, id=2180, vol=3.650900e+00
assign (segid "BBBB" and resid   83 and name HD11) (segid "AAAA" and resid   55 and name  HB1) 4.071 2.071 2.071 weight 1.000 ! spec=inter_noe, no=45, id=2181, vol=1.645100e+00
assign (segid "AAAA" and resid   51 and name HD11) (segid "BBBB" and resid   87 and name   HA) 3.975 1.975 1.975 weight 1.000 ! spec=inter_noe, no=46, id=2182, vol=1.897000e+00
assign (segid "BBBB" and resid   90 and name  HB2) (segid "AAAA" and resid   51 and name HD11) 3.327 1.384 1.384 weight 1.000 ! spec=inter_noe, no=47, id=2183, vol=5.517700e+00
assign (segid "BBBB" and resid   80 and name   HA) (segid "AAAA" and resid   32 and name HD11) 3.917 1.918 1.918 weight 1.000 ! spec=inter_noe, no=48, id=2184, vol=2.073300e+00
assign (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   80 and name   HA) 2.423 0.734 0.734 weight 1.000 ! spec=inter_noe, no=49, id=2185, vol=3.696130e+01
assign (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   90 and name  HB2) 3.689 1.701 1.701 weight 1.000 ! spec=inter_noe, no=50, id=2186, vol=2.968200e+00
assign (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   87 and name   HA) 3.787 1.793 1.793 weight 1.000 ! spec=inter_noe, no=51, id=2187, vol=2.536600e+00
assign (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD21) 3.643 1.659 1.659 weight 1.000 ! spec=inter_noe, no=52, id=2188, vol=3.204100e+00
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   80 and name   HA) 2.811 0.988 0.988 weight 1.000 ! spec=inter_noe, no=53, id=2189, vol=1.515980e+01
assign (segid "AAAA" and resid   52 and name   HA) (segid "BBBB" and resid   86 and name  HD2) 3.806 1.810 1.810 weight 1.000 ! spec=inter_noe, no=54, id=2190, vol=2.464700e+00
assign (segid "AAAA" and resid   55 and name  HB2) (segid "BBBB" and resid   86 and name  HD2) 3.929 1.929 1.929 weight 1.000 ! spec=inter_noe, no=56, id=2192, vol=2.036300e+00
assign (segid "AAAA" and resid   59 and name  HG1) (segid "BBBB" and resid   79 and name HG21) 3.839 1.842 1.842 weight 1.000 ! spec=inter_noe, no=59, id=2193, vol=2.338100e+00
assign (segid "AAAA" and resid   52 and name HG11) (segid "BBBB" and resid   83 and name HD11) 4.116 2.117 2.117 weight 1.000 ! spec=inter_noe, no=61, id=2195, vol=1.540300e+00
assign (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   35 and name  HG1) 3.420 1.462 1.462 weight 1.000 ! spec=inter_noe, no=62, id=2196, vol=4.677900e+00
assign (segid "AAAA" and resid   51 and name HD11) (segid "BBBB" and resid   90 and name  HB1) 3.268 1.335 1.335 weight 1.000 ! spec=inter_noe, no=66, id=2200, vol=6.141600e+00
assign (segid "AAAA" and resid   51 and name HD11) (segid "BBBB" and resid   92 and name HG12) 4.217 2.223 2.223 weight 1.000 ! spec=inter_noe, no=67, id=2201, vol=1.330400e+00
assign (segid "AAAA" and resid   51 and name HD11) (segid "BBBB" and resid   92 and name HG11) 3.764 1.771 1.771 weight 1.000 ! spec=inter_noe, no=68, id=2202, vol=2.633800e+00
assign (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   80 and name  HB1) 3.550 1.575 1.575 weight 1.000 ! spec=inter_noe, no=70, id=2204, vol=3.738800e+00
assign (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG21) 3.198 1.278 1.278 weight 1.000 ! spec=inter_noe, no=71, id=2205, vol=7.002900e+00
assign (segid "AAAA" and resid   32 and name HD11) (segid "BBBB" and resid   79 and name HG11) 2.749 0.945 0.945 weight 1.000 ! spec=inter_noe, no=72, id=2206, vol=1.733170e+01
assign (segid "AAAA" and resid   32 and name HD21) (segid "BBBB" and resid   83 and name  HB2) 3.625 1.643 1.643 weight 1.000 ! spec=inter_noe, no=75, id=2209, vol=3.296700e+00
assign (segid "BBBB" and resid   80 and name  HB1) (segid "AAAA" and resid   32 and name HD21) 2.452 0.751 0.751 weight 1.000 ! spec=inter_noe, no=76, id=2210, vol=3.447170e+01
assign (segid "AAAA" and resid   51 and name HD21) (segid "BBBB" and resid   90 and name  HB1) 3.818 1.822 1.822 weight 1.000 ! spec=inter_noe, no=78, id=2212, vol=2.418600e+00
assign (segid "BBBB" and resid   92 and name HG21) (segid "AAAA" and resid   48 and name HG21) 2.289 0.655 0.655 weight 1.000 ! spec=inter_noe, no=80, id=2214, vol=5.206980e+01
assign (segid "AAAA" and resid   65 and name HG11) (segid "BBBB" and resid   79 and name HG21) 2.792 0.974 0.974 weight 1.000 ! spec=inter_noe, no=81, id=2215, vol=1.581460e+01
assign (segid "AAAA" and resid   65 and name HG11) (segid "BBBB" and resid   79 and name HG11) 2.698 0.910 0.910 weight 1.000 ! spec=inter_noe, no=82, id=2216, vol=1.940290e+01
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   83 and name HD11) 3.896 1.897 1.897 weight 1.000 ! spec=inter_noe, no=83, id=2217, vol=2.140300e+00
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HG1) 2.869 1.029 1.029 weight 1.000 ! spec=inter_noe, no=84, id=2218, vol=1.341320e+01
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HG2) 2.913 1.061 1.061 weight 1.000 ! spec=inter_noe, no=85, id=2219, vol=1.225520e+01
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HB1) 3.872 1.874 1.874 weight 1.000 ! spec=inter_noe, no=86, id=2220, vol=2.221800e+00
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   84 and name  HE1) 3.689 1.701 1.701 weight 1.000 ! spec=inter_noe, no=87, id=2221, vol=2.969600e+00
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   83 and name  HB2) 3.263 1.331 1.331 weight 1.000 ! spec=inter_noe, no=88, id=2222, vol=6.197200e+00
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   83 and name   HG) 3.106 1.206 1.206 weight 1.000 ! spec=inter_noe, no=89, id=2223, vol=8.332000e+00
assign (segid "AAAA" and resid   36 and name  HB1) (segid "BBBB" and resid   83 and name  HB1) 2.993 1.120 1.120 weight 1.000 ! spec=inter_noe, no=90, id=2224, vol=1.040910e+01
assign (segid "BBBB" and resid   83 and name HD21) (segid "AAAA" and resid   36 and name  HB1) 2.470 0.763 0.763 weight 1.000 ! spec=inter_noe, no=91, id=2225, vol=3.297240e+01
assign (segid "AAAA" and resid   38 and name HD11) (segid "BBBB" and resid   83 and name  HB2) 3.560 1.585 1.585 weight 1.000 ! spec=inter_noe, no=96, id=2227, vol=3.674700e+00
assign (segid "AAAA" and resid   38 and name HD11) (segid "BBBB" and resid   83 and name   HG) 3.008 1.131 1.131 weight 1.000 ! spec=inter_noe, no=97, id=2228, vol=1.010880e+01
assign (segid "AAAA" and resid   52 and name HD11) (segid "BBBB" and resid   83 and name HD21) 2.843 1.011 1.011 weight 1.000 ! spec=inter_noe, no=102, id=2231, vol=1.416740e+01
assign (segid "AAAA" and resid   36 and name   HA) (segid "BBBB" and resid   80 and name   HA) 4.169 2.173 2.173 weight 1.000 ! spec=inter_noe, no=107, id=2235, vol=1.425200e+00
assign (segid "AAAA" and resid   55 and name   HZ) (segid "BBBB" and resid   79 and name HG11) 3.832 1.836 1.836 weight 1.000 ! spec=inter_noe, no=108, id=2236, vol=2.362800e+00
assign (segid "BBBB" and resid   90 and name  HD2) (segid "AAAA" and resid   51 and name HD11) 4.072 2.072 2.072 weight 1.000 ! spec=inter_noe, no=113, id=2240, vol=1.643300e+00
assign (segid "AAAA" and resid   52 and name HG12) (segid "BBBB" and resid   83 and name HD11) 3.978 1.978 1.978 weight 1.000 ! spec=inter_noe, no=120, id=2241, vol=1.888900e+00
assign (segid "AAAA" and resid   37 and name  HA1) (segid "BBBB" and resid   94 and name  HB1) 4.947 3.059 3.059 weight 1.000 ! spec=inter_noe, no=123, id=2244, vol=5.106000e-01
assign (segid "BBBB" and resid  108 and name  HE1) (segid "BBBB" and resid  108 and name  HD1) 3.337 1.392 1.392 weight 1.000 ! spec=n3dnoesy, no=0, id=1338, vol=7.889000e+00
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   19 and name   HN) 2.914 1.062 1.062 weight 1.000 ! spec=n3dnoesy, no=1, id=1339, vol=1.780100e+01
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   14 and name   HA) 2.440 0.744 0.744 weight 1.000 ! spec=n3dnoesy, no=2, id=1340, vol=5.167100e+01
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   19 and name  HA2) 4.121 2.122 2.122 weight 1.000 ! spec=n3dnoesy, no=3, id=1341, vol=2.227000e+00
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   15 and name  HB2) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=5, id=1343, vol=1.000000e+01
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   19 and name   HN) 4.040 2.041 2.041 weight 1.000 ! spec=n3dnoesy, no=6, id=1344, vol=2.506000e+00
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   50 and name   HN) 3.698 1.709 1.709 weight 1.000 ! spec=n3dnoesy, no=9, id=1346, vol=4.265000e+00
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   14 and name  HZ2) 3.079 1.185 1.185 weight 1.000 ! spec=n3dnoesy, no=10, id=1347, vol=1.278400e+01
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   14 and name  HD1) 2.846 1.012 1.012 weight 1.000 ! spec=n3dnoesy, no=11, id=1348, vol=2.051800e+01
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   49 and name  HB2) 3.538 1.565 1.565 weight 1.000 ! spec=n3dnoesy, no=12, id=1349, vol=5.556000e+00
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   50 and name   HA) 3.275 1.340 1.340 weight 1.000 ! spec=n3dnoesy, no=14, id=1351, vol=8.842000e+00
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   19 and name  HA2) 2.984 1.113 1.113 weight 1.000 ! spec=n3dnoesy, no=15, id=1352, vol=1.544700e+01
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   50 and name  HB2) 3.629 1.647 1.647 weight 1.000 ! spec=n3dnoesy, no=16, id=1353, vol=4.769000e+00
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   20 and name   HA) 3.397 1.442 1.442 weight 1.000 ! spec=n3dnoesy, no=17, id=1354, vol=7.095000e+00
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   25 and name   HN) 4.436 2.460 2.460 weight 1.000 ! spec=n3dnoesy, no=19, id=1356, vol=1.430000e+00
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   26 and name   HA) 3.002 1.126 1.126 weight 1.000 ! spec=n3dnoesy, no=20, id=1357, vol=1.489900e+01
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   25 and name   HA) 2.361 0.697 0.697 weight 1.000 ! spec=n3dnoesy, no=21, id=1358, vol=6.293200e+01
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   27 and name  HD1) 3.942 1.942 1.942 weight 1.000 ! spec=n3dnoesy, no=22, id=1359, vol=2.906000e+00
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   26 and name  HB1) 2.692 0.906 0.906 weight 1.000 ! spec=n3dnoesy, no=24, id=1361, vol=2.861600e+01
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   26 and name  HB2) 2.780 0.966 0.966 weight 1.000 ! spec=n3dnoesy, no=25, id=1362, vol=2.361400e+01
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   25 and name   HG) 3.609 1.628 1.628 weight 1.000 ! spec=n3dnoesy, no=26, id=1363, vol=4.934000e+00
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   29 and name  HB1) 3.159 1.247 1.247 weight 1.000 ! spec=n3dnoesy, no=27, id=1364, vol=1.097600e+01
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   25 and name  HB1) 3.090 1.194 1.194 weight 1.000 ! spec=n3dnoesy, no=28, id=1365, vol=1.251700e+01
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   29 and name HD22) 2.774 0.962 0.962 weight 1.000 ! spec=n3dnoesy, no=29, id=1366, vol=2.391500e+01
    or (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   29 and name HD23)
assign (segid "BBBB" and resid   95 and name   HN) (segid "AAAA" and resid   38 and name HG22) 4.103 2.104 2.104 weight 1.000 ! spec=n3dnoesy, no=30, id=1367, vol=2.285000e+00
    or (segid "BBBB" and resid   95 and name   HN) (segid "AAAA" and resid   38 and name HG21)
    or (segid "BBBB" and resid   95 and name   HN) (segid "AAAA" and resid   38 and name HG23)
assign (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   71 and name  HB1) 2.720 0.925 0.925 weight 1.000 ! spec=n3dnoesy, no=34, id=1371, vol=2.693500e+01
assign (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   71 and name  HG1) 3.044 1.158 1.158 weight 1.000 ! spec=n3dnoesy, no=35, id=1372, vol=1.371300e+01
assign (segid "BBBB" and resid   95 and name   HN) (segid "AAAA" and resid   42 and name HE21) 3.940 1.940 1.940 weight 1.000 ! spec=n3dnoesy, no=36, id=1373, vol=2.915000e+00
assign (segid "BBBB" and resid   95 and name   HN) (segid "AAAA" and resid   42 and name HE22) 3.394 1.440 1.440 weight 1.000 ! spec=n3dnoesy, no=37, id=1374, vol=7.131000e+00
assign (segid "BBBB" and resid   95 and name   HN) (segid "BBBB" and resid   94 and name   HA) 2.516 0.791 0.791 weight 1.000 ! spec=n3dnoesy, no=38, id=1375, vol=4.300000e+01
assign (segid "BBBB" and resid   95 and name   HN) (segid "BBBB" and resid   94 and name  HB1) 3.142 1.234 1.234 weight 1.000 ! spec=n3dnoesy, no=39, id=1376, vol=1.132100e+01
assign (segid "BBBB" and resid   95 and name   HN) (segid "BBBB" and resid   95 and name  HB2) 2.516 0.791 0.791 weight 1.000 ! spec=n3dnoesy, no=40, id=1377, vol=4.302400e+01
    or (segid "BBBB" and resid   95 and name   HN) (segid "BBBB" and resid   95 and name  HB1)
    or (segid "BBBB" and resid   95 and name   HN) (segid "BBBB" and resid   95 and name  HB3)
assign (segid "BBBB" and resid  108 and name   HN) (segid "BBBB" and resid  107 and name   HA) 2.915 1.062 1.062 weight 1.000 ! spec=n3dnoesy, no=41, id=1378, vol=1.777900e+01
assign (segid "BBBB" and resid  108 and name   HN) (segid "BBBB" and resid  108 and name  HB1) 3.653 1.668 1.668 weight 1.000 ! spec=n3dnoesy, no=42, id=1379, vol=4.588000e+00
assign (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   93 and name  HB2) 2.822 0.995 0.995 weight 1.000 ! spec=n3dnoesy, no=43, id=1380, vol=2.159100e+01
assign (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   92 and name HG22) 2.622 0.859 0.859 weight 1.000 ! spec=n3dnoesy, no=45, id=1382, vol=3.356800e+01
    or (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   92 and name HG21)
    or (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   92 and name HG23)
assign (segid "BBBB" and resid  105 and name   HN) (segid "BBBB" and resid  104 and name  HB1) 4.809 2.891 2.891 weight 1.000 ! spec=n3dnoesy, no=46, id=1383, vol=8.810000e-01
assign (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   76 and name   HA) 2.954 1.090 1.090 weight 1.000 ! spec=n3dnoesy, no=47, id=1384, vol=1.642200e+01
assign (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   75 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=n3dnoesy, no=48, id=1385, vol=4.435300e+01
assign (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   77 and name  HD2) 4.656 2.710 2.710 weight 1.000 ! spec=n3dnoesy, no=49, id=1386, vol=1.070000e+00
assign (segid "BBBB" and resid   76 and name   HN) (segid "BBBB" and resid   75 and name  HB2) 3.328 1.384 1.384 weight 1.000 ! spec=n3dnoesy, no=50, id=1387, vol=8.031000e+00
assign (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   92 and name   HA) 2.227 0.620 0.620 weight 1.000 ! spec=n3dnoesy, no=53, id=1390, vol=8.947800e+01
assign (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   93 and name  HB1) 2.515 0.791 0.791 weight 1.000 ! spec=n3dnoesy, no=55, id=1392, vol=4.308600e+01
assign (segid "BBBB" and resid  105 and name   HN) (segid "BBBB" and resid  105 and name   HA) 2.794 0.976 0.976 weight 1.000 ! spec=n3dnoesy, no=56, id=1393, vol=2.290600e+01
assign (segid "BBBB" and resid  105 and name   HN) (segid "BBBB" and resid  104 and name  HB2) 3.366 1.416 1.416 weight 1.000 ! spec=n3dnoesy, no=57, id=1394, vol=7.493000e+00
assign (segid "BBBB" and resid  105 and name   HN) (segid "BBBB" and resid  105 and name  HB2) 2.792 0.974 0.974 weight 1.000 ! spec=n3dnoesy, no=58, id=1395, vol=2.303500e+01
    or (segid "BBBB" and resid  105 and name   HN) (segid "BBBB" and resid  105 and name  HB1)
    or (segid "BBBB" and resid  105 and name   HN) (segid "BBBB" and resid  105 and name  HB3)
assign (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  102 and name   HA) 3.275 1.341 1.341 weight 1.000 ! spec=n3dnoesy, no=59, id=1396, vol=8.833000e+00
assign (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  102 and name   HB) 3.116 1.214 1.214 weight 1.000 ! spec=n3dnoesy, no=60, id=1397, vol=1.190400e+01
assign (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  102 and name HG11) 3.630 1.647 1.647 weight 1.000 ! spec=n3dnoesy, no=61, id=1398, vol=4.766000e+00
assign (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  102 and name HG12) 3.662 1.676 1.676 weight 1.000 ! spec=n3dnoesy, no=62, id=1399, vol=4.522000e+00
assign (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  101 and name   HA) 2.537 0.805 0.805 weight 1.000 ! spec=n3dnoesy, no=63, id=1400, vol=4.085700e+01
assign (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  102 and name HG22) 3.892 1.894 1.894 weight 1.000 ! spec=n3dnoesy, no=65, id=1402, vol=3.136000e+00
    or (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  102 and name HG21)
    or (segid "BBBB" and resid  102 and name   HN) (segid "BBBB" and resid  102 and name HG23)
assign (segid "AAAA" and resid   50 and name   HN) (segid "AAAA" and resid   49 and name   HN) 2.927 1.071 1.071 weight 1.000 ! spec=n3dnoesy, no=67, id=1404, vol=1.732400e+01
assign (segid "AAAA" and resid   50 and name   HN) (segid "AAAA" and resid   49 and name   HA) 2.967 1.100 1.100 weight 1.000 ! spec=n3dnoesy, no=68, id=1405, vol=1.597600e+01
assign (segid "AAAA" and resid   50 and name   HN) (segid "AAAA" and resid   50 and name   HA) 2.857 1.020 1.020 weight 1.000 ! spec=n3dnoesy, no=69, id=1406, vol=2.005900e+01
assign (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   38 and name   HA) 2.355 0.693 0.693 weight 1.000 ! spec=n3dnoesy, no=70, id=1407, vol=6.388100e+01
assign (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   39 and name  HB1) 2.868 1.028 1.028 weight 1.000 ! spec=n3dnoesy, no=71, id=1408, vol=1.959200e+01
assign (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   42 and name  HB1) 2.904 1.054 1.054 weight 1.000 ! spec=n3dnoesy, no=72, id=1409, vol=1.817400e+01
assign (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   42 and name  HG2) 3.399 1.444 1.444 weight 1.000 ! spec=n3dnoesy, no=73, id=1410, vol=7.074000e+00
assign (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   42 and name  HB2) 3.114 1.212 1.212 weight 1.000 ! spec=n3dnoesy, no=74, id=1411, vol=1.195000e+01
assign (segid "AAAA" and resid   39 and name   HN) (segid "BBBB" and resid   95 and name  HB2) 3.020 1.140 1.140 weight 1.000 ! spec=n3dnoesy, no=75, id=1412, vol=1.437000e+01
    or (segid "AAAA" and resid   39 and name   HN) (segid "BBBB" and resid   95 and name  HB1)
    or (segid "AAAA" and resid   39 and name   HN) (segid "BBBB" and resid   95 and name  HB3)
assign (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   38 and name HG22) 2.718 0.923 0.923 weight 1.000 ! spec=n3dnoesy, no=76, id=1413, vol=2.705600e+01
    or (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   38 and name HG23)
assign (segid "BBBB" and resid   99 and name   HN) (segid "BBBB" and resid   98 and name   HA) 2.535 0.803 0.803 weight 1.000 ! spec=n3dnoesy, no=77, id=1414, vol=4.110000e+01
assign (segid "BBBB" and resid   99 and name   HN) (segid "BBBB" and resid   99 and name  HB2) 2.599 0.845 0.845 weight 1.000 ! spec=n3dnoesy, no=78, id=1415, vol=3.534900e+01
    or (segid "BBBB" and resid   99 and name   HN) (segid "BBBB" and resid   99 and name  HB1)
    or (segid "BBBB" and resid   99 and name   HN) (segid "BBBB" and resid   99 and name  HB3)
assign (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name   HA) 3.124 1.220 1.220 weight 1.000 ! spec=n3dnoesy, no=81, id=1417, vol=1.172700e+01
assign (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   87 and name  HB1) 2.375 0.705 0.705 weight 1.000 ! spec=n3dnoesy, no=82, id=1418, vol=6.072500e+01
assign (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   88 and name  HB2) 2.234 0.624 0.624 weight 1.000 ! spec=n3dnoesy, no=83, id=1419, vol=8.762600e+01
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   88 and name  HB1)
    or (segid "BBBB" and resid   88 and name   HN) (segid "BBBB" and resid   88 and name  HB3)
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   74 and name  HD2) 3.396 1.442 1.442 weight 1.000 ! spec=n3dnoesy, no=84, id=1420, vol=7.103000e+00
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   83 and name   HG) 3.117 1.215 1.215 weight 1.000 ! spec=n3dnoesy, no=87, id=1423, vol=1.187700e+01
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   83 and name HD12) 3.610 1.629 1.629 weight 1.000 ! spec=n3dnoesy, no=89, id=1425, vol=4.924000e+00
    or (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   83 and name HD13)
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   83 and name   HA) 2.976 1.107 1.107 weight 1.000 ! spec=n3dnoesy, no=91, id=1427, vol=1.569200e+01
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   83 and name  HB1) 2.617 0.856 0.856 weight 1.000 ! spec=n3dnoesy, no=92, id=1428, vol=3.392900e+01
assign (segid "BBBB" and resid   99 and name   HN) (segid "BBBB" and resid   98 and name  HB1) 3.975 1.975 1.975 weight 1.000 ! spec=n3dnoesy, no=93, id=1429, vol=2.765000e+00
assign (segid "BBBB" and resid   99 and name   HN) (segid "BBBB" and resid   99 and name   HA) 2.727 0.930 0.930 weight 1.000 ! spec=n3dnoesy, no=94, id=1430, vol=2.648600e+01
assign (segid "BBBB" and resid   99 and name   HN) (segid "BBBB" and resid   98 and name  HB2) 3.616 1.635 1.635 weight 1.000 ! spec=n3dnoesy, no=95, id=1431, vol=4.875000e+00
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name   HA) 2.383 0.710 0.710 weight 1.000 ! spec=n3dnoesy, no=97, id=1433, vol=5.953400e+01
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   29 and name   HA) 3.054 1.166 1.166 weight 1.000 ! spec=n3dnoesy, no=98, id=1434, vol=1.344900e+01
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   69 and name  HE2) 3.109 1.208 1.208 weight 1.000 ! spec=n3dnoesy, no=99, id=1435, vol=1.206600e+01
    or (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   69 and name  HE1)
    or (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   69 and name  HE3)
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name  HB1) 2.443 0.746 0.746 weight 1.000 ! spec=n3dnoesy, no=100, id=1436, vol=5.133000e+01
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name  HB2) 2.391 0.715 0.715 weight 1.000 ! spec=n3dnoesy, no=101, id=1437, vol=5.830100e+01
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name   HG) 3.135 1.228 1.228 weight 1.000 ! spec=n3dnoesy, no=102, id=1438, vol=1.148800e+01
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name HD22) 3.008 1.131 1.131 weight 1.000 ! spec=n3dnoesy, no=103, id=1439, vol=1.470300e+01
    or (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name HD21)
    or (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name HD23)
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name HD12) 3.158 1.246 1.246 weight 1.000 ! spec=n3dnoesy, no=104, id=1440, vol=1.100000e+01
    or (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   32 and name HD13)
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   49 and name   HN) 3.760 1.767 1.767 weight 1.000 ! spec=n3dnoesy, no=106, id=1442, vol=3.859000e+00
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   48 and name   HB) 3.043 1.158 1.158 weight 1.000 ! spec=n3dnoesy, no=108, id=1444, vol=1.372800e+01
assign (segid "AAAA" and resid    7 and name   HN) (segid "AAAA" and resid    6 and name   HA) 2.800 0.980 0.980 weight 1.000 ! spec=n3dnoesy, no=111, id=1447, vol=2.261000e+01
assign (segid "AAAA" and resid    7 and name   HN) (segid "AAAA" and resid    7 and name  HB2) 3.482 1.516 1.516 weight 1.000 ! spec=n3dnoesy, no=112, id=1448, vol=6.117000e+00
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   45 and name  HB2) 2.358 0.695 0.695 weight 1.000 ! spec=n3dnoesy, no=113, id=1449, vol=6.345400e+01
assign (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   79 and name   HN) 3.039 1.155 1.155 weight 1.000 ! spec=n3dnoesy, no=116, id=1450, vol=1.383100e+01
assign (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   80 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=n3dnoesy, no=117, id=1451, vol=1.888500e+01
assign (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   79 and name   HA) 3.819 1.823 1.823 weight 1.000 ! spec=n3dnoesy, no=118, id=1452, vol=3.513000e+00
assign (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   80 and name  HB2) 2.326 0.676 0.676 weight 1.000 ! spec=n3dnoesy, no=121, id=1455, vol=6.891000e+01
    or (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   79 and name HG12) 2.693 0.906 0.906 weight 1.000 ! spec=n3dnoesy, no=122, id=1456, vol=2.859700e+01
    or (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   79 and name HG11)
    or (segid "BBBB" and resid   80 and name   HN) (segid "BBBB" and resid   79 and name HG13)
assign (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   79 and name   HN) 3.059 1.170 1.170 weight 1.000 ! spec=n3dnoesy, no=123, id=1457, vol=1.331100e+01
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   34 and name   HN) 2.128 0.566 0.566 weight 1.000 ! spec=n3dnoesy, no=124, id=1458, vol=1.174520e+02
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   36 and name   HN) 2.426 0.735 0.735 weight 1.000 ! spec=n3dnoesy, no=125, id=1459, vol=5.353400e+01
assign (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   78 and name  HB1) 3.081 1.186 1.186 weight 1.000 ! spec=n3dnoesy, no=128, id=1462, vol=1.275500e+01
assign (segid "BBBB" and resid   78 and name   HN) (segid "BBBB" and resid   78 and name  HB2) 2.786 0.970 0.970 weight 1.000 ! spec=n3dnoesy, no=129, id=1463, vol=2.331700e+01
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   21 and name   HA) 2.121 0.562 0.562 weight 1.000 ! spec=n3dnoesy, no=134, id=1467, vol=1.198820e+02
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   21 and name  HB2) 3.516 1.545 1.545 weight 1.000 ! spec=n3dnoesy, no=135, id=1468, vol=5.771000e+00
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   22 and name HG22) 2.303 0.663 0.663 weight 1.000 ! spec=n3dnoesy, no=136, id=1469, vol=7.303900e+01
    or (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   22 and name HG21)
    or (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   22 and name HG23)
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   22 and name   HA) 2.930 1.073 1.073 weight 1.000 ! spec=n3dnoesy, no=137, id=1470, vol=1.724300e+01
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   22 and name   HB) 2.751 0.946 0.946 weight 1.000 ! spec=n3dnoesy, no=138, id=1471, vol=2.512400e+01
assign (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   91 and name  HA1) 2.930 1.073 1.073 weight 1.000 ! spec=n3dnoesy, no=140, id=1473, vol=1.723800e+01
assign (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   92 and name   HB) 2.411 0.727 0.727 weight 1.000 ! spec=n3dnoesy, no=141, id=1474, vol=5.550300e+01
assign (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   92 and name HG12) 2.654 0.881 0.881 weight 1.000 ! spec=n3dnoesy, no=142, id=1475, vol=3.119100e+01
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   15 and name   HN) 3.948 1.949 1.949 weight 1.000 ! spec=n3dnoesy, no=145, id=1477, vol=2.877000e+00
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   13 and name   HN) 2.917 1.064 1.064 weight 1.000 ! spec=n3dnoesy, no=146, id=1478, vol=1.768700e+01
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   14 and name  HE3) 3.802 1.806 1.806 weight 1.000 ! spec=n3dnoesy, no=148, id=1480, vol=3.612000e+00
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   13 and name  HA1) 2.858 1.021 1.021 weight 1.000 ! spec=n3dnoesy, no=149, id=1481, vol=2.000000e+01
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   13 and name  HA2) 2.372 0.703 0.703 weight 1.000 ! spec=n3dnoesy, no=150, id=1482, vol=6.118900e+01
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   14 and name  HB1) 2.845 1.012 1.012 weight 1.000 ! spec=n3dnoesy, no=151, id=1483, vol=2.055400e+01
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   14 and name  HB2) 2.846 1.013 1.013 weight 1.000 ! spec=n3dnoesy, no=152, id=1484, vol=2.051300e+01
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   12 and name HG22) 3.171 1.257 1.257 weight 1.000 ! spec=n3dnoesy, no=153, id=1485, vol=1.072400e+01
    or (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   12 and name HG21)
    or (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   12 and name HG23)
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name   HA) 4.183 2.187 2.187 weight 1.000 ! spec=n3dnoesy, no=154, id=1486, vol=2.036000e+00
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name HG22) 3.390 1.437 1.437 weight 1.000 ! spec=n3dnoesy, no=155, id=1487, vol=7.177000e+00
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   20 and name  HE1) 3.619 1.637 1.637 weight 1.000 ! spec=n3dnoesy, no=157, id=1489, vol=4.853000e+00
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   20 and name  HE2)
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name   HN) 3.948 1.948 1.948 weight 1.000 ! spec=n3dnoesy, no=158, id=1490, vol=2.879000e+00
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   53 and name  HD1) 3.756 1.763 1.763 weight 1.000 ! spec=n3dnoesy, no=159, id=1491, vol=3.885000e+00
    or (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   57 and name   HN) 2.703 0.913 0.913 weight 1.000 ! spec=n3dnoesy, no=164, id=1496, vol=2.797100e+01
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   59 and name   HN) 2.961 1.096 1.096 weight 1.000 ! spec=n3dnoesy, no=166, id=1498, vol=1.618700e+01
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   58 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=n3dnoesy, no=167, id=1499, vol=3.088500e+01
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   55 and name   HA) 2.981 1.111 1.111 weight 1.000 ! spec=n3dnoesy, no=168, id=1500, vol=1.554200e+01
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   57 and name   HA) 3.079 1.185 1.185 weight 1.000 ! spec=n3dnoesy, no=169, id=1501, vol=1.279000e+01
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   58 and name  HB1) 2.508 0.786 0.786 weight 1.000 ! spec=n3dnoesy, no=170, id=1502, vol=4.377900e+01
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   58 and name  HB2) 2.633 0.866 0.866 weight 1.000 ! spec=n3dnoesy, no=171, id=1503, vol=3.275100e+01
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   57 and name  HB1) 2.383 0.710 0.710 weight 1.000 ! spec=n3dnoesy, no=172, id=1504, vol=5.946900e+01
assign (segid "BBBB" and resid   98 and name   HN) (segid "BBBB" and resid   98 and name   HA) 3.162 1.250 1.250 weight 1.000 ! spec=n3dnoesy, no=173, id=1505, vol=1.089900e+01
assign (segid "AAAA" and resid    9 and name   HN) (segid "AAAA" and resid    8 and name   HA) 2.127 0.565 0.565 weight 1.000 ! spec=n3dnoesy, no=174, id=1506, vol=1.178850e+02
assign (segid "AAAA" and resid    9 and name   HN) (segid "AAAA" and resid    9 and name   HA) 2.977 1.108 1.108 weight 1.000 ! spec=n3dnoesy, no=175, id=1507, vol=1.565900e+01
assign (segid "AAAA" and resid    9 and name   HN) (segid "AAAA" and resid    9 and name   HB) 2.669 0.890 0.890 weight 1.000 ! spec=n3dnoesy, no=176, id=1508, vol=3.018700e+01
assign (segid "AAAA" and resid    9 and name   HN) (segid "AAAA" and resid    9 and name HG12) 2.560 0.819 0.819 weight 1.000 ! spec=n3dnoesy, no=177, id=1509, vol=3.876600e+01
    or (segid "AAAA" and resid    9 and name   HN) (segid "AAAA" and resid    9 and name HG11)
    or (segid "AAAA" and resid    9 and name   HN) (segid "AAAA" and resid    9 and name HG13)
assign (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   63 and name   HN) 2.688 0.903 0.903 weight 1.000 ! spec=n3dnoesy, no=179, id=1510, vol=2.890200e+01
assign (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   65 and name   HN) 2.398 0.719 0.719 weight 1.000 ! spec=n3dnoesy, no=180, id=1511, vol=5.730600e+01
assign (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   63 and name  HB2) 2.504 0.784 0.784 weight 1.000 ! spec=n3dnoesy, no=183, id=1514, vol=4.422400e+01
assign (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   64 and name  HB2) 2.255 0.636 0.636 weight 1.000 ! spec=n3dnoesy, no=184, id=1515, vol=8.281700e+01
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   64 and name  HB1)
    or (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   64 and name  HB3)
assign (segid "BBBB" and resid   98 and name   HN) (segid "BBBB" and resid   98 and name  HG2) 4.128 2.130 2.130 weight 1.000 ! spec=n3dnoesy, no=186, id=1516, vol=2.204000e+00
assign (segid "BBBB" and resid   98 and name   HN) (segid "BBBB" and resid   98 and name  HB1) 3.515 1.544 1.544 weight 1.000 ! spec=n3dnoesy, no=187, id=1517, vol=5.781000e+00
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   24 and name  HB2) 3.341 1.395 1.395 weight 1.000 ! spec=n3dnoesy, no=188, id=1518, vol=7.843000e+00
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   23 and name   HN) 4.067 2.068 2.068 weight 1.000 ! spec=n3dnoesy, no=189, id=1519, vol=2.409000e+00
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   24 and name   HN) 2.453 0.752 0.752 weight 1.000 ! spec=n3dnoesy, no=190, id=1520, vol=5.006200e+01
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   24 and name   HA) 2.856 1.020 1.020 weight 1.000 ! spec=n3dnoesy, no=191, id=1521, vol=2.007900e+01
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   23 and name   HA) 3.677 1.690 1.690 weight 1.000 ! spec=n3dnoesy, no=192, id=1522, vol=4.412000e+00
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   25 and name   HA) 2.925 1.070 1.070 weight 1.000 ! spec=n3dnoesy, no=193, id=1523, vol=1.739700e+01
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   22 and name   HA) 3.196 1.277 1.277 weight 1.000 ! spec=n3dnoesy, no=194, id=1524, vol=1.022500e+01
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   25 and name  HB2) 2.503 0.783 0.783 weight 1.000 ! spec=n3dnoesy, no=195, id=1525, vol=4.433800e+01
assign (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   86 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=n3dnoesy, no=197, id=1527, vol=3.812500e+01
assign (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   83 and name   HA) 2.549 0.812 0.812 weight 1.000 ! spec=n3dnoesy, no=198, id=1528, vol=3.976900e+01
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   37 and name   HN) 2.335 0.682 0.682 weight 1.000 ! spec=n3dnoesy, no=199, id=1529, vol=6.720800e+01
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   34 and name   HA) 3.158 1.246 1.246 weight 1.000 ! spec=n3dnoesy, no=200, id=1530, vol=1.100000e+01
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   33 and name  HB2) 3.220 1.296 1.296 weight 1.000 ! spec=n3dnoesy, no=201, id=1531, vol=9.777000e+00
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name   HB) 2.305 0.664 0.664 weight 1.000 ! spec=n3dnoesy, no=202, id=1532, vol=7.276300e+01
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name HG12) 2.405 0.723 0.723 weight 1.000 ! spec=n3dnoesy, no=203, id=1533, vol=5.627400e+01
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   37 and name  HA2) 2.913 1.061 1.061 weight 1.000 ! spec=n3dnoesy, no=205, id=1535, vol=1.784700e+01
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   37 and name  HA1) 3.054 1.166 1.166 weight 1.000 ! spec=n3dnoesy, no=206, id=1536, vol=1.342700e+01
assign (segid "AAAA" and resid   40 and name   HN) (segid "AAAA" and resid   39 and name   HA) 2.998 1.124 1.124 weight 1.000 ! spec=n3dnoesy, no=208, id=1538, vol=1.500000e+01
assign (segid "AAAA" and resid   40 and name   HN) (segid "AAAA" and resid   39 and name  HB2) 3.063 1.173 1.173 weight 1.000 ! spec=n3dnoesy, no=209, id=1539, vol=1.319100e+01
assign (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   20 and name  HD1) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=212, id=1542, vol=1.000000e+01
    or (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   20 and name  HD2)
assign (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   49 and name  HB2) 3.921 1.922 1.922 weight 1.000 ! spec=n3dnoesy, no=213, id=1543, vol=3.000000e+00
assign (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   19 and name  HA1) 2.565 0.822 0.822 weight 1.000 ! spec=n3dnoesy, no=214, id=1544, vol=3.827000e+01
assign (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   19 and name  HA2) 2.879 1.036 1.036 weight 1.000 ! spec=n3dnoesy, no=215, id=1545, vol=1.913300e+01
assign (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   20 and name  HB1) 2.514 0.790 0.790 weight 1.000 ! spec=n3dnoesy, no=216, id=1546, vol=4.322200e+01
assign (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   44 and name HG21) 3.209 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=217, id=1547, vol=9.992000e+00
    or (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   44 and name HG23)
assign (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   85 and name  HB2) 2.265 0.641 0.641 weight 1.000 ! spec=n3dnoesy, no=220, id=1550, vol=8.079700e+01
assign (segid "AAAA" and resid   71 and name   HN) (segid "AAAA" and resid   68 and name   HA) 3.217 1.293 1.293 weight 1.000 ! spec=n3dnoesy, no=222, id=1552, vol=9.840000e+00
assign (segid "AAAA" and resid   71 and name   HN) (segid "AAAA" and resid   69 and name   HN) 2.858 1.021 1.021 weight 1.000 ! spec=n3dnoesy, no=223, id=1553, vol=1.998700e+01
assign (segid "BBBB" and resid   79 and name   HN) (segid "BBBB" and resid   78 and name   HA) 2.583 0.834 0.834 weight 1.000 ! spec=n3dnoesy, no=225, id=1555, vol=3.673900e+01
assign (segid "BBBB" and resid   79 and name   HN) (segid "BBBB" and resid   78 and name  HB1) 2.837 1.006 1.006 weight 1.000 ! spec=n3dnoesy, no=226, id=1556, vol=2.090200e+01
assign (segid "BBBB" and resid   79 and name   HN) (segid "BBBB" and resid   78 and name  HB2) 3.133 1.227 1.227 weight 1.000 ! spec=n3dnoesy, no=227, id=1557, vol=1.151700e+01
assign (segid "BBBB" and resid   79 and name   HN) (segid "BBBB" and resid   79 and name HG12) 2.773 0.961 0.961 weight 1.000 ! spec=n3dnoesy, no=228, id=1558, vol=2.400000e+01
    or (segid "BBBB" and resid   79 and name   HN) (segid "BBBB" and resid   79 and name HG11)
    or (segid "BBBB" and resid   79 and name   HN) (segid "BBBB" and resid   79 and name HG13)
assign (segid "AAAA" and resid   66 and name   HN) (segid "AAAA" and resid   63 and name   HA) 2.881 1.038 1.038 weight 1.000 ! spec=n3dnoesy, no=230, id=1560, vol=1.906400e+01
assign (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid    9 and name   HN) 3.277 1.342 1.342 weight 1.000 ! spec=n3dnoesy, no=231, id=1561, vol=8.807000e+00
assign (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name   HA) 2.997 1.123 1.123 weight 1.000 ! spec=n3dnoesy, no=232, id=1562, vol=1.503600e+01
assign (segid "AAAA" and resid   12 and name   HN) (segid "AAAA" and resid   12 and name   HB) 3.182 1.266 1.266 weight 1.000 ! spec=n3dnoesy, no=233, id=1563, vol=1.049700e+01
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   26 and name  HB1) 3.689 1.701 1.701 weight 1.000 ! spec=n3dnoesy, no=236, id=1566, vol=4.326000e+00
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name  HB1) 2.392 0.715 0.715 weight 1.000 ! spec=n3dnoesy, no=237, id=1567, vol=5.818900e+01
assign (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   71 and name   HN) 2.752 0.947 0.947 weight 1.000 ! spec=n3dnoesy, no=238, id=1568, vol=2.508000e+01
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   55 and name   HA) 2.952 1.090 1.090 weight 1.000 ! spec=n3dnoesy, no=239, id=1569, vol=1.646400e+01
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   55 and name  HB2) 2.641 0.872 0.872 weight 1.000 ! spec=n3dnoesy, no=240, id=1570, vol=3.213500e+01
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   54 and name  HB2) 3.004 1.128 1.128 weight 1.000 ! spec=n3dnoesy, no=241, id=1571, vol=1.483100e+01
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   55 and name  HB1) 2.701 0.912 0.912 weight 1.000 ! spec=n3dnoesy, no=242, id=1572, vol=2.805300e+01
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   61 and name   HN) 3.493 1.525 1.525 weight 1.000 ! spec=n3dnoesy, no=246, id=1576, vol=6.000000e+00
assign (segid "AAAA" and resid   66 and name   HN) (segid "AAAA" and resid   66 and name  HD2) 3.893 1.894 1.894 weight 1.000 ! spec=n3dnoesy, no=247, id=1577, vol=3.134000e+00
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   89 and name   HA) 2.719 0.924 0.924 weight 1.000 ! spec=n3dnoesy, no=248, id=1578, vol=2.700000e+01
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   87 and name   HA) 3.747 1.755 1.755 weight 1.000 ! spec=n3dnoesy, no=249, id=1579, vol=3.941000e+00
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   89 and name  HG1) 2.516 0.791 0.791 weight 1.000 ! spec=n3dnoesy, no=250, id=1580, vol=4.297300e+01
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   88 and name  HB2) 2.532 0.801 0.801 weight 1.000 ! spec=n3dnoesy, no=251, id=1581, vol=4.138200e+01
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   88 and name  HB1)
    or (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   88 and name  HB3)
assign (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   85 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=n3dnoesy, no=252, id=1582, vol=5.492800e+01
assign (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   84 and name   HA) 2.782 0.967 0.967 weight 1.000 ! spec=n3dnoesy, no=253, id=1583, vol=2.353200e+01
assign (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   86 and name  HB2) 3.480 1.514 1.514 weight 1.000 ! spec=n3dnoesy, no=254, id=1584, vol=6.140000e+00
assign (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   84 and name  HG1) 3.805 1.809 1.809 weight 1.000 ! spec=n3dnoesy, no=255, id=1585, vol=3.594000e+00
assign (segid "BBBB" and resid   85 and name   HN) (segid "BBBB" and resid   85 and name  HG1) 2.730 0.931 0.931 weight 1.000 ! spec=n3dnoesy, no=256, id=1586, vol=2.636000e+01
assign (segid "AAAA" and resid   41 and name   HN) (segid "AAAA" and resid   42 and name   HN) 2.647 0.876 0.876 weight 1.000 ! spec=n3dnoesy, no=260, id=1590, vol=3.170700e+01
assign (segid "AAAA" and resid   41 and name   HN) (segid "AAAA" and resid   41 and name  HB2) 2.405 0.723 0.723 weight 1.000 ! spec=n3dnoesy, no=262, id=1592, vol=5.634000e+01
    or (segid "AAAA" and resid   41 and name   HN) (segid "AAAA" and resid   41 and name  HB1)
    or (segid "AAAA" and resid   41 and name   HN) (segid "AAAA" and resid   41 and name  HB3)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   56 and name   HN) 2.903 1.053 1.053 weight 1.000 ! spec=n3dnoesy, no=263, id=1593, vol=1.822100e+01
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   53 and name   HA) 3.077 1.184 1.184 weight 1.000 ! spec=n3dnoesy, no=264, id=1594, vol=1.284100e+01
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   52 and name   HA) 4.117 2.118 2.118 weight 1.000 ! spec=n3dnoesy, no=265, id=1595, vol=2.240000e+00
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   55 and name  HB2) 2.694 0.907 0.907 weight 1.000 ! spec=n3dnoesy, no=266, id=1596, vol=2.851700e+01
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name   HA) 2.668 0.890 0.890 weight 1.000 ! spec=n3dnoesy, no=267, id=1597, vol=3.021000e+01
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HG12) 2.172 0.590 0.590 weight 1.000 ! spec=n3dnoesy, no=268, id=1598, vol=1.037120e+02
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HG11) 2.851 1.016 1.016 weight 1.000 ! spec=n3dnoesy, no=269, id=1599, vol=2.028300e+01
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HG22) 3.004 1.128 1.128 weight 1.000 ! spec=n3dnoesy, no=270, id=1600, vol=1.484100e+01
    or (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid    6 and name   HN) (segid "AAAA" and resid    6 and name   HA) 4.275 2.284 2.284 weight 1.000 ! spec=n3dnoesy, no=271, id=1601, vol=1.786000e+00
assign (segid "AAAA" and resid    6 and name   HN) (segid "AAAA" and resid    5 and name  HA1) 3.160 1.248 1.248 weight 1.000 ! spec=n3dnoesy, no=272, id=1602, vol=1.095800e+01
assign (segid "AAAA" and resid    6 and name   HN) (segid "AAAA" and resid    6 and name  HB2) 3.253 1.323 1.323 weight 1.000 ! spec=n3dnoesy, no=273, id=1603, vol=9.202000e+00
assign (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   56 and name   HA) 3.839 1.843 1.843 weight 1.000 ! spec=n3dnoesy, no=274, id=1604, vol=3.403000e+00
assign (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   56 and name HG22) 3.023 1.142 1.142 weight 1.000 ! spec=n3dnoesy, no=276, id=1606, vol=1.428100e+01
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   57 and name   HN) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   28 and name   HA) 3.590 1.611 1.611 weight 1.000 ! spec=n3dnoesy, no=278, id=1608, vol=5.094000e+00
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   28 and name  HB2) 2.964 1.098 1.098 weight 1.000 ! spec=n3dnoesy, no=279, id=1609, vol=1.606400e+01
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name HD22) 2.617 0.856 0.856 weight 1.000 ! spec=n3dnoesy, no=280, id=1610, vol=3.396500e+01
    or (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name HD21)
    or (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name HD23)
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name HD12) 3.223 1.299 1.299 weight 1.000 ! spec=n3dnoesy, no=281, id=1611, vol=9.724000e+00
    or (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   55 and name  HD1) 3.619 1.637 1.637 weight 1.000 ! spec=n3dnoesy, no=282, id=1612, vol=4.854000e+00
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   55 and name  HD2)
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   54 and name  HB1) 2.732 0.933 0.933 weight 1.000 ! spec=n3dnoesy, no=283, id=1613, vol=2.619700e+01
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   54 and name   HA) 3.505 1.535 1.535 weight 1.000 ! spec=n3dnoesy, no=286, id=1616, vol=5.884000e+00
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   52 and name   HA) 3.475 1.509 1.509 weight 1.000 ! spec=n3dnoesy, no=287, id=1617, vol=6.196000e+00
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   57 and name  HB1) 4.148 2.150 2.150 weight 1.000 ! spec=n3dnoesy, no=288, id=1618, vol=2.141000e+00
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   53 and name   HA) 3.770 1.776 1.776 weight 1.000 ! spec=n3dnoesy, no=290, id=1620, vol=3.800000e+00
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   61 and name  HA2) 2.796 0.977 0.977 weight 1.000 ! spec=n3dnoesy, no=291, id=1621, vol=2.282200e+01
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   62 and name   HA) 2.760 0.953 0.953 weight 1.000 ! spec=n3dnoesy, no=292, id=1622, vol=2.463700e+01
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   61 and name  HA1) 2.749 0.945 0.945 weight 1.000 ! spec=n3dnoesy, no=293, id=1623, vol=2.527000e+01
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   62 and name  HB1) 2.735 0.935 0.935 weight 1.000 ! spec=n3dnoesy, no=294, id=1624, vol=2.603200e+01
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   62 and name HD22) 2.978 1.108 1.108 weight 1.000 ! spec=n3dnoesy, no=297, id=1627, vol=1.564400e+01
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   62 and name HD21)
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   62 and name HD23)
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   56 and name HG22) 2.998 1.123 1.123 weight 1.000 ! spec=n3dnoesy, no=298, id=1628, vol=1.502300e+01
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid   56 and name HG23)
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   89 and name  HB2) 2.277 0.648 0.648 weight 1.000 ! spec=n3dnoesy, no=303, id=1631, vol=7.818900e+01
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   89 and name  HB1) 2.701 0.912 0.912 weight 1.000 ! spec=n3dnoesy, no=304, id=1632, vol=2.808500e+01
assign (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   20 and name   HA) 2.207 0.609 0.609 weight 1.000 ! spec=n3dnoesy, no=305, id=1633, vol=9.438700e+01
assign (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   14 and name   HA) 2.848 1.014 1.014 weight 1.000 ! spec=n3dnoesy, no=306, id=1634, vol=2.042400e+01
assign (segid "AAAA" and resid   21 and name   HN) (segid "AAAA" and resid   21 and name  HB2) 2.512 0.789 0.789 weight 1.000 ! spec=n3dnoesy, no=308, id=1636, vol=4.338800e+01
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   49 and name   HA) 3.351 1.404 1.404 weight 1.000 ! spec=n3dnoesy, no=313, id=1641, vol=7.700000e+00
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   48 and name   HA) 3.689 1.701 1.701 weight 1.000 ! spec=n3dnoesy, no=314, id=1642, vol=4.327000e+00
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name   HA) 2.918 1.065 1.065 weight 1.000 ! spec=n3dnoesy, no=315, id=1643, vol=1.764600e+01
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   51 and name  HB2) 3.112 1.210 1.210 weight 1.000 ! spec=n3dnoesy, no=318, id=1646, vol=1.200900e+01
assign (segid "AAAA" and resid   52 and name   HN) (segid "BBBB" and resid   87 and name HD12) 2.541 0.807 0.807 weight 1.000 ! spec=n3dnoesy, no=319, id=1647, vol=4.047600e+01
    or (segid "AAAA" and resid   52 and name   HN) (segid "BBBB" and resid   87 and name HD11)
    or (segid "AAAA" and resid   52 and name   HN) (segid "BBBB" and resid   87 and name HD13)
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name HD12) 2.818 0.993 0.993 weight 1.000 ! spec=n3dnoesy, no=320, id=1648, vol=2.176700e+01
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name HD11)
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name HD13)
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   53 and name  HD1) 3.520 1.549 1.549 weight 1.000 ! spec=n3dnoesy, no=321, id=1649, vol=5.729000e+00
    or (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   53 and name  HD2)
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   53 and name  HB1) 2.769 0.959 0.959 weight 1.000 ! spec=n3dnoesy, no=322, id=1650, vol=2.417000e+01
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   54 and name   HN) 3.069 1.177 1.177 weight 1.000 ! spec=n3dnoesy, no=324, id=1652, vol=1.305400e+01
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   51 and name   HA) 3.090 1.194 1.194 weight 1.000 ! spec=n3dnoesy, no=325, id=1653, vol=1.252400e+01
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   54 and name  HB2) 2.657 0.882 0.882 weight 1.000 ! spec=n3dnoesy, no=326, id=1654, vol=3.099700e+01
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   54 and name  HB1) 2.725 0.928 0.928 weight 1.000 ! spec=n3dnoesy, no=327, id=1655, vol=2.662300e+01
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   82 and name  HD2) 4.179 2.183 2.183 weight 1.000 ! spec=n3dnoesy, no=328, id=1656, vol=2.046000e+00
assign (segid "BBBB" and resid   83 and name   HN) (segid "BBBB" and resid   82 and name   HN) 2.544 0.809 0.809 weight 1.000 ! spec=n3dnoesy, no=331, id=1659, vol=4.025200e+01
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   74 and name  HD2) 4.409 2.429 2.429 weight 1.000 ! spec=n3dnoesy, no=333, id=1661, vol=1.485000e+00
assign (segid "BBBB" and resid   82 and name   HN) (segid "AAAA" and resid   55 and name  HE1) 4.058 2.058 2.058 weight 1.000 ! spec=n3dnoesy, no=334, id=1662, vol=2.442000e+00
    or (segid "BBBB" and resid   82 and name   HN) (segid "AAAA" and resid   55 and name  HE2)
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   82 and name   HA) 2.456 0.754 0.754 weight 1.000 ! spec=n3dnoesy, no=335, id=1663, vol=4.969000e+01
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   82 and name  HB2) 2.178 0.593 0.593 weight 1.000 ! spec=n3dnoesy, no=337, id=1665, vol=1.020450e+02
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   82 and name  HB1) 2.197 0.603 0.603 weight 1.000 ! spec=n3dnoesy, no=338, id=1666, vol=9.700000e+01
assign (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   27 and name  HD1) 2.668 0.889 0.889 weight 1.000 ! spec=n3dnoesy, no=341, id=1669, vol=3.025700e+01
assign (segid "BBBB" and resid   97 and name   HN) (segid "BBBB" and resid   96 and name   HA) 2.812 0.989 0.989 weight 1.000 ! spec=n3dnoesy, no=342, id=1670, vol=2.202700e+01
assign (segid "BBBB" and resid   97 and name   HN) (segid "BBBB" and resid   97 and name  HB1) 2.785 0.970 0.970 weight 1.000 ! spec=n3dnoesy, no=343, id=1671, vol=2.335400e+01
assign (segid "BBBB" and resid  100 and name   HN) (segid "BBBB" and resid  100 and name   HA) 2.417 0.730 0.730 weight 1.000 ! spec=n3dnoesy, no=344, id=1672, vol=5.469000e+01
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   37 and name   HN) 2.625 0.861 0.861 weight 1.000 ! spec=n3dnoesy, no=347, id=1675, vol=3.335600e+01
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   36 and name  HB2) 2.227 0.620 0.620 weight 1.000 ! spec=n3dnoesy, no=350, id=1678, vol=8.927200e+01
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   36 and name  HB3)
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   32 and name HD22) 3.380 1.428 1.428 weight 1.000 ! spec=n3dnoesy, no=351, id=1679, vol=7.313000e+00
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   32 and name HD21)
    or (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   32 and name HD23)
assign (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   65 and name   HA) 2.539 0.806 0.806 weight 1.000 ! spec=n3dnoesy, no=353, id=1681, vol=4.072400e+01
assign (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   69 and name   HN) 2.451 0.751 0.751 weight 1.000 ! spec=n3dnoesy, no=355, id=1683, vol=5.026900e+01
assign (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   68 and name   HA) 2.535 0.803 0.803 weight 1.000 ! spec=n3dnoesy, no=356, id=1684, vol=4.111000e+01
assign (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   68 and name  HG1) 2.348 0.689 0.689 weight 1.000 ! spec=n3dnoesy, no=357, id=1685, vol=6.501100e+01
assign (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   28 and name   HA) 2.742 0.940 0.940 weight 1.000 ! spec=n3dnoesy, no=360, id=1688, vol=2.563600e+01
assign (segid "AAAA" and resid   28 and name   HN) (segid "AAAA" and resid   28 and name  HB2) 2.511 0.788 0.788 weight 1.000 ! spec=n3dnoesy, no=361, id=1689, vol=4.348200e+01
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   28 and name   HN) 2.514 0.790 0.790 weight 1.000 ! spec=n3dnoesy, no=363, id=1691, vol=4.322200e+01
assign (segid "BBBB" and resid   96 and name   HN) (segid "BBBB" and resid   95 and name   HA) 2.422 0.734 0.734 weight 1.000 ! spec=n3dnoesy, no=364, id=1692, vol=5.395300e+01
assign (segid "BBBB" and resid   96 and name   HN) (segid "BBBB" and resid   94 and name  HB1) 3.899 1.900 1.900 weight 1.000 ! spec=n3dnoesy, no=366, id=1694, vol=3.103000e+00
assign (segid "BBBB" and resid   96 and name   HN) (segid "BBBB" and resid   94 and name  HB2) 3.005 1.129 1.129 weight 1.000 ! spec=n3dnoesy, no=367, id=1695, vol=1.480900e+01
assign (segid "BBBB" and resid   96 and name   HN) (segid "BBBB" and resid   95 and name  HB2) 2.676 0.895 0.895 weight 1.000 ! spec=n3dnoesy, no=368, id=1696, vol=2.970200e+01
    or (segid "BBBB" and resid   96 and name   HN) (segid "BBBB" and resid   95 and name  HB1)
    or (segid "BBBB" and resid   96 and name   HN) (segid "BBBB" and resid   95 and name  HB3)
assign (segid "BBBB" and resid   96 and name   HN) (segid "BBBB" and resid   94 and name  HD2) 4.711 2.774 2.774 weight 1.000 ! spec=n3dnoesy, no=369, id=1697, vol=9.970000e-01
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   83 and name HD12) 3.466 1.502 1.502 weight 1.000 ! spec=n3dnoesy, no=370, id=1698, vol=6.286000e+00
    or (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   83 and name HD13)
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   82 and name   HN) 3.993 1.993 1.993 weight 1.000 ! spec=n3dnoesy, no=371, id=1699, vol=2.688000e+00
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   81 and name   HA) 2.540 0.806 0.806 weight 1.000 ! spec=n3dnoesy, no=372, id=1700, vol=4.064400e+01
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   84 and name   HA) 2.516 0.791 0.791 weight 1.000 ! spec=n3dnoesy, no=373, id=1701, vol=4.296200e+01
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   84 and name  HG1) 2.681 0.898 0.898 weight 1.000 ! spec=n3dnoesy, no=374, id=1702, vol=2.937400e+01
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   84 and name  HG2) 2.867 1.027 1.027 weight 1.000 ! spec=n3dnoesy, no=375, id=1703, vol=1.963900e+01
assign (segid "BBBB" and resid   84 and name   HN) (segid "BBBB" and resid   83 and name  HB1) 2.909 1.058 1.058 weight 1.000 ! spec=n3dnoesy, no=377, id=1705, vol=1.800400e+01
assign (segid "BBBB" and resid  107 and name   HN) (segid "BBBB" and resid  106 and name   HA) 2.662 0.886 0.886 weight 1.000 ! spec=n3dnoesy, no=378, id=1706, vol=3.064900e+01
assign (segid "BBBB" and resid   82 and name   HN) (segid "BBBB" and resid   81 and name   HN) 2.624 0.861 0.861 weight 1.000 ! spec=n3dnoesy, no=379, id=1707, vol=3.341700e+01
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   81 and name   HA) 2.711 0.919 0.919 weight 1.000 ! spec=n3dnoesy, no=380, id=1708, vol=2.744100e+01
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   79 and name   HA) 4.456 2.482 2.482 weight 1.000 ! spec=n3dnoesy, no=381, id=1709, vol=1.392000e+00
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   78 and name  HB1) 4.915 3.020 3.020 weight 1.000 ! spec=n3dnoesy, no=382, id=1710, vol=7.730000e-01
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   81 and name  HG1) 2.744 0.941 0.941 weight 1.000 ! spec=n3dnoesy, no=383, id=1711, vol=2.555900e+01
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   81 and name  HB1) 2.295 0.658 0.658 weight 1.000 ! spec=n3dnoesy, no=384, id=1712, vol=7.468500e+01
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   80 and name  HB2) 2.655 0.881 0.881 weight 1.000 ! spec=n3dnoesy, no=385, id=1713, vol=3.111500e+01
    or (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   80 and name  HB1)
    or (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   80 and name  HB3)
assign (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   66 and name   HN) 2.736 0.936 0.936 weight 1.000 ! spec=n3dnoesy, no=387, id=1715, vol=2.598200e+01
assign (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   64 and name  HB2) 2.607 0.849 0.849 weight 1.000 ! spec=n3dnoesy, no=388, id=1716, vol=3.475000e+01
    or (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   64 and name  HB1)
    or (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   64 and name  HB3)
assign (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   86 and name   HA) 3.504 1.535 1.535 weight 1.000 ! spec=n3dnoesy, no=389, id=1717, vol=5.890000e+00
assign (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   87 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=n3dnoesy, no=390, id=1718, vol=3.101500e+01
assign (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   87 and name HD22) 2.671 0.891 0.891 weight 1.000 ! spec=n3dnoesy, no=392, id=1720, vol=3.005300e+01
    or (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   87 and name HD21)
    or (segid "BBBB" and resid   87 and name   HN) (segid "BBBB" and resid   87 and name HD23)
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   78 and name   HA) 4.135 2.137 2.137 weight 1.000 ! spec=n3dnoesy, no=394, id=1722, vol=2.182000e+00
assign (segid "BBBB" and resid   81 and name   HN) (segid "BBBB" and resid   78 and name  HB2) 4.363 2.380 2.380 weight 1.000 ! spec=n3dnoesy, no=395, id=1723, vol=1.580000e+00
assign (segid "AAAA" and resid   48 and name   HN) (segid "BBBB" and resid   93 and name   HN) 3.042 1.157 1.157 weight 1.000 ! spec=n3dnoesy, no=397, id=1725, vol=1.374800e+01
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   48 and name   HB) 2.667 0.889 0.889 weight 1.000 ! spec=n3dnoesy, no=398, id=1726, vol=3.027000e+01
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   48 and name HG21) 3.249 1.320 1.320 weight 1.000 ! spec=n3dnoesy, no=400, id=1728, vol=9.261000e+00
    or (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   47 and name   HN) (segid "AAAA" and resid   46 and name  HB2) 2.416 0.730 0.730 weight 1.000 ! spec=n3dnoesy, no=401, id=1729, vol=5.475100e+01
    or (segid "AAAA" and resid   47 and name   HN) (segid "AAAA" and resid   46 and name  HB1)
    or (segid "AAAA" and resid   47 and name   HN) (segid "AAAA" and resid   46 and name  HB3)
assign (segid "AAAA" and resid   47 and name   HN) (segid "AAAA" and resid   46 and name   HN) 3.432 1.472 1.472 weight 1.000 ! spec=n3dnoesy, no=402, id=1730, vol=6.671000e+00
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   47 and name   HN) 2.579 0.831 0.831 weight 1.000 ! spec=n3dnoesy, no=403, id=1731, vol=3.709100e+01
assign (segid "AAAA" and resid   47 and name   HN) (segid "AAAA" and resid   47 and name   HA) 2.547 0.811 0.811 weight 1.000 ! spec=n3dnoesy, no=404, id=1732, vol=3.990800e+01
assign (segid "AAAA" and resid   47 and name   HN) (segid "AAAA" and resid   45 and name  HB2) 4.893 2.993 2.993 weight 1.000 ! spec=n3dnoesy, no=405, id=1733, vol=7.940000e-01
assign (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   30 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=n3dnoesy, no=407, id=1735, vol=2.580600e+01
assign (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   27 and name   HA) 3.217 1.293 1.293 weight 1.000 ! spec=n3dnoesy, no=409, id=1737, vol=9.839000e+00
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   67 and name   HA) 3.279 1.344 1.344 weight 1.000 ! spec=n3dnoesy, no=415, id=1742, vol=8.764000e+00
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   70 and name  HB2) 2.315 0.670 0.670 weight 1.000 ! spec=n3dnoesy, no=419, id=1746, vol=7.079200e+01
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   25 and name   HA) 4.855 2.947 2.947 weight 1.000 ! spec=n3dnoesy, no=421, id=1748, vol=8.320000e-01
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   48 and name   HA) 2.897 1.049 1.049 weight 1.000 ! spec=n3dnoesy, no=422, id=1749, vol=1.844900e+01
assign (segid "AAAA" and resid   48 and name   HN) (segid "AAAA" and resid   45 and name  HB2) 3.055 1.167 1.167 weight 1.000 ! spec=n3dnoesy, no=423, id=1750, vol=1.340000e+01
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   23 and name   HN) 2.378 0.707 0.707 weight 1.000 ! spec=n3dnoesy, no=424, id=1751, vol=6.035500e+01
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   24 and name   HN) 2.494 0.777 0.777 weight 1.000 ! spec=n3dnoesy, no=425, id=1752, vol=4.533300e+01
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   23 and name HD22) 4.635 2.686 2.686 weight 1.000 ! spec=n3dnoesy, no=427, id=1754, vol=1.099000e+00
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   24 and name   HA) 5.356 3.585 3.585 weight 1.000 ! spec=n3dnoesy, no=428, id=1755, vol=4.620000e-01
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   22 and name   HA) 3.082 1.187 1.187 weight 1.000 ! spec=n3dnoesy, no=429, id=1756, vol=1.272700e+01
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   22 and name   HB) 3.020 1.140 1.140 weight 1.000 ! spec=n3dnoesy, no=431, id=1758, vol=1.437700e+01
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   22 and name HG22) 2.759 0.951 0.951 weight 1.000 ! spec=n3dnoesy, no=432, id=1759, vol=2.472300e+01
    or (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   22 and name HG21)
    or (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   22 and name HG23)
assign (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   29 and name HD12) 4.635 2.685 2.685 weight 1.000 ! spec=n3dnoesy, no=434, id=1761, vol=1.100000e+00
    or (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   29 and name HD13)
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   69 and name   HA) 2.691 0.905 0.905 weight 1.000 ! spec=n3dnoesy, no=437, id=1764, vol=2.873400e+01
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   68 and name   HA) 2.915 1.062 1.062 weight 1.000 ! spec=n3dnoesy, no=438, id=1765, vol=1.776000e+01
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   66 and name   HA) 3.241 1.313 1.313 weight 1.000 ! spec=n3dnoesy, no=439, id=1766, vol=9.400000e+00
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   69 and name  HG2) 2.754 0.948 0.948 weight 1.000 ! spec=n3dnoesy, no=440, id=1767, vol=2.498400e+01
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   69 and name  HG1) 2.772 0.960 0.960 weight 1.000 ! spec=n3dnoesy, no=441, id=1768, vol=2.403400e+01
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   68 and name  HG1) 3.176 1.261 1.261 weight 1.000 ! spec=n3dnoesy, no=442, id=1769, vol=1.062500e+01
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   65 and name HG12) 4.421 2.443 2.443 weight 1.000 ! spec=n3dnoesy, no=444, id=1771, vol=1.461000e+00
    or (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   65 and name HG13)
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   24 and name HD22) 4.607 2.653 2.653 weight 1.000 ! spec=n3dnoesy, no=446, id=1773, vol=1.140000e+00
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   24 and name   HA) 2.917 1.064 1.064 weight 1.000 ! spec=n3dnoesy, no=449, id=1776, vol=1.769600e+01
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   23 and name   HA) 3.156 1.245 1.245 weight 1.000 ! spec=n3dnoesy, no=450, id=1777, vol=1.103500e+01
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   22 and name   HA) 3.846 1.849 1.849 weight 1.000 ! spec=n3dnoesy, no=451, id=1778, vol=3.371000e+00
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   24 and name  HB1) 2.754 0.948 0.948 weight 1.000 ! spec=n3dnoesy, no=452, id=1779, vol=2.500000e+01
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   21 and name  HB2) 3.172 1.257 1.257 weight 1.000 ! spec=n3dnoesy, no=453, id=1780, vol=1.071100e+01
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   24 and name  HB2) 2.594 0.841 0.841 weight 1.000 ! spec=n3dnoesy, no=454, id=1781, vol=3.581900e+01
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   25 and name   HG) 3.933 1.933 1.933 weight 1.000 ! spec=n3dnoesy, no=455, id=1782, vol=2.947000e+00
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   25 and name  HB2) 3.462 1.498 1.498 weight 1.000 ! spec=n3dnoesy, no=456, id=1783, vol=6.333000e+00
assign (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   44 and name HG21) 4.447 2.472 2.472 weight 1.000 ! spec=n3dnoesy, no=457, id=1784, vol=1.410000e+00
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   24 and name   HN) (segid "AAAA" and resid   44 and name HG23)
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   39 and name   HN) 4.033 2.033 2.033 weight 1.000 ! spec=n3dnoesy, no=459, id=1786, vol=2.535000e+00
assign (segid "AAAA" and resid   42 and name   HN) (segid "BBBB" and resid  101 and name  HE1) 3.196 1.276 1.276 weight 1.000 ! spec=n3dnoesy, no=461, id=1788, vol=1.023900e+01
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   39 and name  HB2) 3.869 1.871 1.871 weight 1.000 ! spec=n3dnoesy, no=462, id=1789, vol=3.249000e+00
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   42 and name   HA) 2.806 0.985 0.985 weight 1.000 ! spec=n3dnoesy, no=463, id=1790, vol=2.231400e+01
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   42 and name  HB2) 2.883 1.039 1.039 weight 1.000 ! spec=n3dnoesy, no=465, id=1792, vol=1.899300e+01
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   41 and name  HB2) 2.781 0.967 0.967 weight 1.000 ! spec=n3dnoesy, no=466, id=1793, vol=2.356500e+01
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   41 and name  HB1)
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   41 and name  HB3)
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   48 and name HG21) 4.984 3.105 3.105 weight 1.000 ! spec=n3dnoesy, no=467, id=1794, vol=7.110000e-01
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   38 and name HG22) 3.355 1.407 1.407 weight 1.000 ! spec=n3dnoesy, no=468, id=1795, vol=7.638000e+00
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   38 and name HG23)
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   51 and name   HN) 2.742 0.940 0.940 weight 1.000 ! spec=n3dnoesy, no=470, id=1797, vol=2.567300e+01
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   50 and name   HN) 2.715 0.921 0.921 weight 1.000 ! spec=n3dnoesy, no=471, id=1798, vol=2.721400e+01
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name   HA) 2.883 1.039 1.039 weight 1.000 ! spec=n3dnoesy, no=472, id=1799, vol=1.899100e+01
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   50 and name   HA) 3.169 1.256 1.256 weight 1.000 ! spec=n3dnoesy, no=473, id=1800, vol=1.075700e+01
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   50 and name  HG2) 3.427 1.468 1.468 weight 1.000 ! spec=n3dnoesy, no=475, id=1802, vol=6.729000e+00
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name  HB2) 2.955 1.092 1.092 weight 1.000 ! spec=n3dnoesy, no=476, id=1803, vol=1.636100e+01
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name HD22) 3.298 1.360 1.360 weight 1.000 ! spec=n3dnoesy, no=478, id=1805, vol=8.468000e+00
    or (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name HD21)
    or (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   51 and name HD23)
assign (segid "AAAA" and resid   59 and name HE22) (segid "AAAA" and resid   55 and name   HZ) 3.433 1.473 1.473 weight 1.000 ! spec=n3dnoesy, no=480, id=1807, vol=6.660000e+00
assign (segid "AAAA" and resid   59 and name HE22) (segid "AAAA" and resid   58 and name  HB1) 4.451 2.476 2.476 weight 1.000 ! spec=n3dnoesy, no=481, id=1808, vol=1.402000e+00
assign (segid "AAAA" and resid   59 and name HE22) (segid "AAAA" and resid   58 and name  HB2) 4.226 2.233 2.233 weight 1.000 ! spec=n3dnoesy, no=482, id=1809, vol=1.913000e+00
assign (segid "AAAA" and resid   59 and name HE22) (segid "AAAA" and resid   59 and name  HG2) 3.391 1.437 1.437 weight 1.000 ! spec=n3dnoesy, no=483, id=1810, vol=7.175000e+00
assign (segid "AAAA" and resid   59 and name HE22) (segid "AAAA" and resid   59 and name  HG1) 4.179 2.183 2.183 weight 1.000 ! spec=n3dnoesy, no=484, id=1811, vol=2.047000e+00
assign (segid "AAAA" and resid   59 and name HE21) (segid "AAAA" and resid   58 and name  HB2) 4.698 2.759 2.759 weight 1.000 ! spec=n3dnoesy, no=486, id=1813, vol=1.014000e+00
assign (segid "AAAA" and resid   69 and name   HN) (segid "BBBB" and resid   79 and name HG12) 3.830 1.834 1.834 weight 1.000 ! spec=n3dnoesy, no=487, id=1814, vol=3.452000e+00
    or (segid "AAAA" and resid   69 and name   HN) (segid "BBBB" and resid   79 and name HG11)
    or (segid "AAAA" and resid   69 and name   HN) (segid "BBBB" and resid   79 and name HG13)
assign (segid "AAAA" and resid   42 and name   HN) (segid "AAAA" and resid   39 and name  HB1) 3.685 1.698 1.698 weight 1.000 ! spec=n3dnoesy, no=488, id=1815, vol=4.352000e+00
assign (segid "AAAA" and resid   55 and name   HZ) (segid "AAAA" and resid   59 and name HE21) 3.449 1.487 1.487 weight 1.000 ! spec=n3dnoesy, no=490, id=1817, vol=6.476000e+00
assign (segid "AAAA" and resid   59 and name HE21) (segid "AAAA" and resid   59 and name   HA) 4.602 2.647 2.647 weight 1.000 ! spec=n3dnoesy, no=491, id=1818, vol=1.148000e+00
assign (segid "AAAA" and resid   59 and name HE21) (segid "AAAA" and resid   58 and name  HB1) 4.265 2.273 2.273 weight 1.000 ! spec=n3dnoesy, no=492, id=1819, vol=1.812000e+00
assign (segid "AAAA" and resid   59 and name HE21) (segid "AAAA" and resid   59 and name  HG2) 3.102 1.203 1.203 weight 1.000 ! spec=n3dnoesy, no=493, id=1820, vol=1.223100e+01
assign (segid "AAAA" and resid   59 and name HE21) (segid "AAAA" and resid   59 and name  HG1) 3.647 1.663 1.663 weight 1.000 ! spec=n3dnoesy, no=494, id=1821, vol=4.633000e+00
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   17 and name   HN) 2.350 0.690 0.690 weight 1.000 ! spec=n3dnoesy, no=495, id=1822, vol=6.468500e+01
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   18 and name HD22) 4.442 2.467 2.467 weight 1.000 ! spec=n3dnoesy, no=496, id=1823, vol=1.419000e+00
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   18 and name   HA) 3.013 1.135 1.135 weight 1.000 ! spec=n3dnoesy, no=497, id=1824, vol=1.456300e+01
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   17 and name   HA) 3.188 1.270 1.270 weight 1.000 ! spec=n3dnoesy, no=498, id=1825, vol=1.038700e+01
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   18 and name  HB1) 3.060 1.171 1.171 weight 1.000 ! spec=n3dnoesy, no=500, id=1827, vol=1.326800e+01
assign (segid "AAAA" and resid   18 and name   HN) (segid "AAAA" and resid   18 and name  HB2) 2.770 0.959 0.959 weight 1.000 ! spec=n3dnoesy, no=501, id=1828, vol=2.413100e+01
assign (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   49 and name   HA) 2.617 0.856 0.856 weight 1.000 ! spec=n3dnoesy, no=507, id=1833, vol=3.393500e+01
assign (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   48 and name   HA) 3.165 1.252 1.252 weight 1.000 ! spec=n3dnoesy, no=508, id=1834, vol=1.083900e+01
assign (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   45 and name  HB2) 3.275 1.341 1.341 weight 1.000 ! spec=n3dnoesy, no=509, id=1835, vol=8.831000e+00
assign (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   48 and name HG21) 3.438 1.477 1.477 weight 1.000 ! spec=n3dnoesy, no=510, id=1836, vol=6.602000e+00
    or (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   49 and name  HB2) 2.592 0.840 0.840 weight 1.000 ! spec=n3dnoesy, no=512, id=1838, vol=3.593700e+01
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   61 and name  HA1) 4.710 2.774 2.774 weight 1.000 ! spec=n3dnoesy, no=513, id=1839, vol=9.980000e-01
assign (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   63 and name   HN) 3.568 1.591 1.591 weight 1.000 ! spec=n3dnoesy, no=514, id=1840, vol=5.284000e+00
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   61 and name  HA2) 4.058 2.058 2.058 weight 1.000 ! spec=n3dnoesy, no=516, id=1842, vol=2.442000e+00
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   63 and name   HA) 2.849 1.015 1.015 weight 1.000 ! spec=n3dnoesy, no=517, id=1843, vol=2.038800e+01
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name   HA) 3.449 1.487 1.487 weight 1.000 ! spec=n3dnoesy, no=518, id=1844, vol=6.472000e+00
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   63 and name  HG2) 2.721 0.926 0.926 weight 1.000 ! spec=n3dnoesy, no=519, id=1845, vol=2.685500e+01
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   63 and name  HB2) 2.428 0.737 0.737 weight 1.000 ! spec=n3dnoesy, no=520, id=1846, vol=5.319800e+01
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name  HB1) 2.778 0.964 0.964 weight 1.000 ! spec=n3dnoesy, no=521, id=1847, vol=2.373900e+01
assign (segid "AAAA" and resid   63 and name   HN) (segid "AAAA" and resid   62 and name  HB2) 2.876 1.034 1.034 weight 1.000 ! spec=n3dnoesy, no=522, id=1848, vol=1.925500e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name   HG) 3.162 1.250 1.250 weight 1.000 ! spec=n3dnoesy, no=524, id=1850, vol=1.091500e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name HD22) 3.071 1.179 1.179 weight 1.000 ! spec=n3dnoesy, no=525, id=1851, vol=1.299800e+01
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name HD21)
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name HD23)
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   33 and name   HN) 2.537 0.805 0.805 weight 1.000 ! spec=n3dnoesy, no=526, id=1852, vol=4.085300e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   33 and name  HD1) 3.149 1.240 1.240 weight 1.000 ! spec=n3dnoesy, no=527, id=1853, vol=1.118100e+01
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   33 and name  HD2)
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   33 and name   HA) 2.976 1.107 1.107 weight 1.000 ! spec=n3dnoesy, no=528, id=1854, vol=1.569700e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   34 and name  HB2) 3.355 1.407 1.407 weight 1.000 ! spec=n3dnoesy, no=529, id=1855, vol=7.639000e+00
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   29 and name   HA) 3.315 1.373 1.373 weight 1.000 ! spec=n3dnoesy, no=530, id=1856, vol=8.219000e+00
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   33 and name  HB1) 2.596 0.842 0.842 weight 1.000 ! spec=n3dnoesy, no=531, id=1857, vol=3.564900e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name  HB1) 2.668 0.890 0.890 weight 1.000 ! spec=n3dnoesy, no=532, id=1858, vol=3.023600e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name HD12) 3.081 1.187 1.187 weight 1.000 ! spec=n3dnoesy, no=534, id=1860, vol=1.274100e+01
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name HD11)
    or (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name HD13)
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   64 and name  HB2) 4.393 2.412 2.412 weight 1.000 ! spec=n3dnoesy, no=535, id=1861, vol=1.517000e+00
    or (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   64 and name  HB1)
    or (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   64 and name  HB3)
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   67 and name   HN) 2.923 1.068 1.068 weight 1.000 ! spec=n3dnoesy, no=537, id=1863, vol=1.749300e+01
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   67 and name   HA) 2.732 0.933 0.933 weight 1.000 ! spec=n3dnoesy, no=538, id=1864, vol=2.624400e+01
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   66 and name   HA) 3.295 1.357 1.357 weight 1.000 ! spec=n3dnoesy, no=539, id=1865, vol=8.519000e+00
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   67 and name  HG2) 2.562 0.820 0.820 weight 1.000 ! spec=n3dnoesy, no=541, id=1867, vol=3.858100e+01
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   66 and name  HB2) 2.558 0.818 0.818 weight 1.000 ! spec=n3dnoesy, no=543, id=1869, vol=3.891500e+01
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   66 and name  HG1) 3.620 1.638 1.638 weight 1.000 ! spec=n3dnoesy, no=544, id=1870, vol=4.848000e+00
assign (segid "AAAA" and resid   24 and name HD22) (segid "AAAA" and resid   23 and name HD21) 2.870 1.029 1.029 weight 1.000 ! spec=n3dnoesy, no=545, id=1871, vol=1.952000e+01
assign (segid "AAAA" and resid   24 and name HD22) (segid "AAAA" and resid   24 and name  HB2) 3.255 1.324 1.324 weight 1.000 ! spec=n3dnoesy, no=546, id=1872, vol=9.174000e+00
assign (segid "AAAA" and resid   24 and name HD21) (segid "AAAA" and resid   23 and name HD21) 3.269 1.336 1.336 weight 1.000 ! spec=n3dnoesy, no=547, id=1873, vol=8.934000e+00
assign (segid "AAAA" and resid   24 and name HD21) (segid "AAAA" and resid   24 and name   HN) 4.289 2.299 2.299 weight 1.000 ! spec=n3dnoesy, no=548, id=1874, vol=1.752000e+00
assign (segid "AAAA" and resid   24 and name HD21) (segid "AAAA" and resid   24 and name  HB1) 3.211 1.289 1.289 weight 1.000 ! spec=n3dnoesy, no=549, id=1875, vol=9.940000e+00
assign (segid "AAAA" and resid   24 and name HD21) (segid "AAAA" and resid   24 and name  HB2) 3.041 1.156 1.156 weight 1.000 ! spec=n3dnoesy, no=550, id=1876, vol=1.379500e+01
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   18 and name   HA) 4.321 2.334 2.334 weight 1.000 ! spec=n3dnoesy, no=551, id=1877, vol=1.674000e+00
assign (segid "BBBB" and resid   89 and name   HN) (segid "BBBB" and resid   90 and name   HN) 2.647 0.876 0.876 weight 1.000 ! spec=n3dnoesy, no=552, id=1878, vol=3.172600e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   92 and name   HN) 3.145 1.237 1.237 weight 1.000 ! spec=n3dnoesy, no=553, id=1879, vol=1.125700e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   90 and name  HD2) 3.413 1.456 1.456 weight 1.000 ! spec=n3dnoesy, no=555, id=1881, vol=6.900000e+00
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   90 and name   HA) 2.941 1.081 1.081 weight 1.000 ! spec=n3dnoesy, no=556, id=1882, vol=1.684400e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   89 and name   HA) 3.025 1.144 1.144 weight 1.000 ! spec=n3dnoesy, no=557, id=1883, vol=1.423300e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   90 and name  HB2) 2.898 1.050 1.050 weight 1.000 ! spec=n3dnoesy, no=559, id=1885, vol=1.840700e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   90 and name  HB1) 2.586 0.836 0.836 weight 1.000 ! spec=n3dnoesy, no=560, id=1886, vol=3.641200e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   89 and name  HB2) 3.098 1.200 1.200 weight 1.000 ! spec=n3dnoesy, no=561, id=1887, vol=1.232800e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   89 and name  HB1) 3.399 1.444 1.444 weight 1.000 ! spec=n3dnoesy, no=562, id=1888, vol=7.069000e+00
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   17 and name   HA) 2.802 0.981 0.981 weight 1.000 ! spec=n3dnoesy, no=567, id=1893, vol=2.254300e+01
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   16 and name   HA) 3.475 1.509 1.509 weight 1.000 ! spec=n3dnoesy, no=568, id=1894, vol=6.192000e+00
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   16 and name  HD1) 3.386 1.433 1.433 weight 1.000 ! spec=n3dnoesy, no=569, id=1895, vol=7.236000e+00
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   16 and name  HD2) 4.524 2.558 2.558 weight 1.000 ! spec=n3dnoesy, no=572, id=1898, vol=1.272000e+00
assign (segid "AAAA" and resid   17 and name   HN) (segid "AAAA" and resid   15 and name  HB2) 3.372 1.421 1.421 weight 1.000 ! spec=n3dnoesy, no=573, id=1899, vol=7.416000e+00
assign (segid "AAAA" and resid   18 and name HD21) (segid "AAAA" and resid   18 and name   HN) 4.250 2.258 2.258 weight 1.000 ! spec=n3dnoesy, no=574, id=1900, vol=1.850000e+00
assign (segid "AAAA" and resid   18 and name HD21) (segid "AAAA" and resid   18 and name  HB1) 3.070 1.178 1.178 weight 1.000 ! spec=n3dnoesy, no=575, id=1901, vol=1.302300e+01
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   60 and name   HN) 2.391 0.715 0.715 weight 1.000 ! spec=n3dnoesy, no=576, id=1902, vol=5.831200e+01
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   56 and name   HA) 3.784 1.790 1.790 weight 1.000 ! spec=n3dnoesy, no=577, id=1903, vol=3.713000e+00
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   58 and name  HB2) 3.392 1.438 1.438 weight 1.000 ! spec=n3dnoesy, no=578, id=1904, vol=7.155000e+00
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   59 and name  HG2) 2.752 0.947 0.947 weight 1.000 ! spec=n3dnoesy, no=579, id=1905, vol=2.508800e+01
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   59 and name  HG1) 3.115 1.213 1.213 weight 1.000 ! spec=n3dnoesy, no=580, id=1906, vol=1.193900e+01
assign (segid "AAAA" and resid   18 and name HD22) (segid "AAAA" and resid   18 and name  HB1) 3.657 1.672 1.672 weight 1.000 ! spec=n3dnoesy, no=581, id=1907, vol=4.557000e+00
assign (segid "AAAA" and resid   18 and name HD22) (segid "AAAA" and resid   18 and name  HB2) 3.214 1.291 1.291 weight 1.000 ! spec=n3dnoesy, no=582, id=1908, vol=9.895000e+00
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   40 and name   HA) 2.871 1.031 1.031 weight 1.000 ! spec=n3dnoesy, no=586, id=1912, vol=1.945400e+01
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   43 and name  HB1) 2.708 0.917 0.917 weight 1.000 ! spec=n3dnoesy, no=590, id=1916, vol=2.762600e+01
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   38 and name HG22) 2.846 1.012 1.012 weight 1.000 ! spec=n3dnoesy, no=594, id=1920, vol=2.052800e+01
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   38 and name HG21)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   38 and name HG23)
assign (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   43 and name HD22) 3.386 1.433 1.433 weight 1.000 ! spec=n3dnoesy, no=595, id=1921, vol=7.234000e+00
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   43 and name HD21)
    or (segid "AAAA" and resid   43 and name   HN) (segid "AAAA" and resid   43 and name HD23)
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   57 and name   HN) 3.074 1.182 1.182 weight 1.000 ! spec=n3dnoesy, no=598, id=1924, vol=1.291000e+01
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   59 and name HE22) 3.941 1.942 1.942 weight 1.000 ! spec=n3dnoesy, no=599, id=1925, vol=2.908000e+00
assign (segid "AAAA" and resid   59 and name HE21) (segid "AAAA" and resid   59 and name   HN) 3.522 1.550 1.550 weight 1.000 ! spec=n3dnoesy, no=600, id=1926, vol=5.714000e+00
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   58 and name   HA) 3.396 1.442 1.442 weight 1.000 ! spec=n3dnoesy, no=601, id=1927, vol=7.103000e+00
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   59 and name   HA) 2.945 1.084 1.084 weight 1.000 ! spec=n3dnoesy, no=602, id=1928, vol=1.670100e+01
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   60 and name  HA2) 4.013 2.013 2.013 weight 1.000 ! spec=n3dnoesy, no=603, id=1929, vol=2.612000e+00
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   58 and name  HB1) 3.405 1.449 1.449 weight 1.000 ! spec=n3dnoesy, no=604, id=1930, vol=6.999000e+00
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   59 and name  HB2) 2.910 1.059 1.059 weight 1.000 ! spec=n3dnoesy, no=605, id=1931, vol=1.794300e+01
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   59 and name  HB1) 2.860 1.023 1.023 weight 1.000 ! spec=n3dnoesy, no=606, id=1932, vol=1.990200e+01
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   65 and name HG22) 3.761 1.768 1.768 weight 1.000 ! spec=n3dnoesy, no=607, id=1933, vol=3.852000e+00
    or (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   65 and name HG21)
    or (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   65 and name HG23)
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   33 and name  HD1) 4.523 2.557 2.557 weight 1.000 ! spec=n3dnoesy, no=610, id=1936, vol=1.274000e+00
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   33 and name  HD2)
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   34 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=n3dnoesy, no=611, id=1937, vol=3.101400e+01
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   34 and name  HB2) 2.375 0.705 0.705 weight 1.000 ! spec=n3dnoesy, no=612, id=1938, vol=6.070800e+01
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   30 and name   HA) 3.598 1.618 1.618 weight 1.000 ! spec=n3dnoesy, no=613, id=1939, vol=5.028000e+00
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   33 and name  HB1) 2.736 0.936 0.936 weight 1.000 ! spec=n3dnoesy, no=614, id=1940, vol=2.596800e+01
assign (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   43 and name HD12) 4.346 2.361 2.361 weight 1.000 ! spec=n3dnoesy, no=618, id=1944, vol=1.618000e+00
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   43 and name HD11)
    or (segid "AAAA" and resid   34 and name   HN) (segid "AAAA" and resid   43 and name HD13)
assign (segid "BBBB" and resid  108 and name  HZ2) (segid "BBBB" and resid  108 and name  HH2) 3.659 1.674 1.674 weight 1.000 ! spec=n3dnoesy, no=622, id=1947, vol=4.541000e+00
assign (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   31 and name   HN) 2.797 0.978 0.978 weight 1.000 ! spec=n3dnoesy, no=624, id=1949, vol=2.277500e+01
assign (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   28 and name   HA) 3.300 1.361 1.361 weight 1.000 ! spec=n3dnoesy, no=626, id=1951, vol=8.442000e+00
assign (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   31 and name   HA) 2.638 0.870 0.870 weight 1.000 ! spec=n3dnoesy, no=627, id=1952, vol=3.232100e+01
assign (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   30 and name   HA) 3.131 1.225 1.225 weight 1.000 ! spec=n3dnoesy, no=629, id=1954, vol=1.158000e+01
assign (segid "AAAA" and resid   31 and name   HN) (segid "AAAA" and resid   30 and name  HB1) 2.714 0.920 0.920 weight 1.000 ! spec=n3dnoesy, no=631, id=1956, vol=2.730400e+01
assign (segid "BBBB" and resid   97 and name HD21) (segid "BBBB" and resid   97 and name  HB1) 3.258 1.327 1.327 weight 1.000 ! spec=n3dnoesy, no=637, id=1958, vol=9.109000e+00
assign (segid "AAAA" and resid   67 and name HE21) (segid "AAAA" and resid   67 and name  HG2) 3.486 1.519 1.519 weight 1.000 ! spec=n3dnoesy, no=638, id=1959, vol=6.077000e+00
assign (segid "BBBB" and resid   81 and name HE22) (segid "BBBB" and resid   76 and name  HB1) 3.764 1.771 1.771 weight 1.000 ! spec=n3dnoesy, no=641, id=1962, vol=3.832000e+00
assign (segid "BBBB" and resid   85 and name HE21) (segid "BBBB" and resid   85 and name  HG2) 3.153 1.243 1.243 weight 1.000 ! spec=n3dnoesy, no=642, id=1963, vol=1.108800e+01
assign (segid "BBBB" and resid   85 and name HE22) (segid "BBBB" and resid   85 and name  HG2) 3.279 1.344 1.344 weight 1.000 ! spec=n3dnoesy, no=646, id=1967, vol=8.776000e+00
assign (segid "AAAA" and resid   13 and name   HN) (segid "AAAA" and resid   13 and name  HA1) 2.487 0.773 0.773 weight 1.000 ! spec=n3dnoesy, no=649, id=1970, vol=4.612100e+01
assign (segid "AAAA" and resid   42 and name HE21) (segid "AAAA" and resid   42 and name  HG1) 2.879 1.036 1.036 weight 1.000 ! spec=n3dnoesy, no=653, id=1974, vol=1.916200e+01
assign (segid "AAAA" and resid   42 and name HE21) (segid "AAAA" and resid   48 and name HG21) 4.525 2.559 2.559 weight 1.000 ! spec=n3dnoesy, no=654, id=1975, vol=1.270000e+00
    or (segid "AAAA" and resid   42 and name HE21) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   42 and name HE21) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   42 and name HE21) (segid "BBBB" and resid   92 and name HG22) 3.214 1.291 1.291 weight 1.000 ! spec=n3dnoesy, no=655, id=1976, vol=9.891000e+00
    or (segid "AAAA" and resid   42 and name HE21) (segid "BBBB" and resid   92 and name HG21)
    or (segid "AAAA" and resid   42 and name HE21) (segid "BBBB" and resid   92 and name HG23)
assign (segid "AAAA" and resid   42 and name HE21) (segid "BBBB" and resid   94 and name   HA) 4.505 2.537 2.537 weight 1.000 ! spec=n3dnoesy, no=656, id=1977, vol=1.304000e+00
assign (segid "AAAA" and resid   42 and name HE21) (segid "AAAA" and resid   42 and name  HG2) 2.713 0.920 0.920 weight 1.000 ! spec=n3dnoesy, no=662, id=1979, vol=2.735500e+01
assign (segid "AAAA" and resid   42 and name HE22) (segid "BBBB" and resid   94 and name   HA) 3.365 1.416 1.416 weight 1.000 ! spec=n3dnoesy, no=664, id=1981, vol=7.505000e+00
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   59 and name  HB2) 3.800 1.805 1.805 weight 1.000 ! spec=n3dnoesy, no=666, id=1983, vol=3.623000e+00
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   59 and name  HB1) 3.751 1.759 1.759 weight 1.000 ! spec=n3dnoesy, no=668, id=1985, vol=3.912000e+00
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   64 and name  HB2) 3.515 1.545 1.545 weight 1.000 ! spec=n3dnoesy, no=669, id=1986, vol=5.777000e+00
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   64 and name  HB1)
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   64 and name  HB3)
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   61 and name   HN) 3.199 1.279 1.279 weight 1.000 ! spec=n3dnoesy, no=673, id=1990, vol=1.017600e+01
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   61 and name  HA2) 2.785 0.969 0.969 weight 1.000 ! spec=n3dnoesy, no=674, id=1991, vol=2.338800e+01
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   60 and name  HA1) 3.153 1.243 1.243 weight 1.000 ! spec=n3dnoesy, no=675, id=1992, vol=1.109700e+01
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   57 and name   HA) 2.760 0.952 0.952 weight 1.000 ! spec=n3dnoesy, no=676, id=1993, vol=2.468500e+01
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   61 and name  HA1) 2.507 0.786 0.786 weight 1.000 ! spec=n3dnoesy, no=677, id=1994, vol=4.391200e+01
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   56 and name HG22) 3.305 1.365 1.365 weight 1.000 ! spec=n3dnoesy, no=678, id=1995, vol=8.368000e+00
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   18 and name   HA) 2.991 1.118 1.118 weight 1.000 ! spec=n3dnoesy, no=685, id=1999, vol=1.522200e+01
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   19 and name  HA2) 2.455 0.753 0.753 weight 1.000 ! spec=n3dnoesy, no=686, id=2000, vol=4.981800e+01
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   15 and name  HB1) 3.406 1.450 1.450 weight 1.000 ! spec=n3dnoesy, no=689, id=2003, vol=6.989000e+00
assign (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   90 and name  HB1) 3.245 1.317 1.317 weight 1.000 ! spec=n3dnoesy, no=690, id=2004, vol=9.331000e+00
assign (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   92 and name   HN) 2.348 0.689 0.689 weight 1.000 ! spec=n3dnoesy, no=691, id=2005, vol=6.500000e+01
assign (segid "BBBB" and resid   90 and name   HN) (segid "BBBB" and resid   91 and name   HN) 2.537 0.805 0.805 weight 1.000 ! spec=n3dnoesy, no=692, id=2006, vol=4.088400e+01
assign (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   90 and name   HA) 2.965 1.099 1.099 weight 1.000 ! spec=n3dnoesy, no=693, id=2007, vol=1.604100e+01
assign (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   91 and name  HA2) 2.623 0.860 0.860 weight 1.000 ! spec=n3dnoesy, no=694, id=2008, vol=3.350000e+01
assign (segid "BBBB" and resid   91 and name   HN) (segid "BBBB" and resid   91 and name  HA1) 2.431 0.739 0.739 weight 1.000 ! spec=n3dnoesy, no=695, id=2009, vol=5.283400e+01
assign (segid "AAAA" and resid   44 and name   HN) (segid "BBBB" and resid  101 and name  HE1) 2.982 1.112 1.112 weight 1.000 ! spec=n3dnoesy, no=698, id=2012, vol=1.550600e+01
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   44 and name   HA) 3.139 1.232 1.232 weight 1.000 ! spec=n3dnoesy, no=700, id=2014, vol=1.140000e+01
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   42 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=n3dnoesy, no=701, id=2015, vol=2.312700e+01
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   45 and name  HB2) 3.477 1.512 1.512 weight 1.000 ! spec=n3dnoesy, no=702, id=2016, vol=6.166000e+00
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   43 and name  HB1) 3.221 1.297 1.297 weight 1.000 ! spec=n3dnoesy, no=703, id=2017, vol=9.760000e+00
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   44 and name HG21) 2.597 0.843 0.843 weight 1.000 ! spec=n3dnoesy, no=705, id=2019, vol=3.550300e+01
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   44 and name HG23)
assign (segid "AAAA" and resid   46 and name   HN) (segid "AAAA" and resid   45 and name   HA) 2.858 1.021 1.021 weight 1.000 ! spec=n3dnoesy, no=709, id=2023, vol=2.000000e+01
assign (segid "AAAA" and resid   46 and name   HN) (segid "AAAA" and resid   46 and name   HA) 3.358 1.410 1.410 weight 1.000 ! spec=n3dnoesy, no=710, id=2024, vol=7.599000e+00
assign (segid "AAAA" and resid   46 and name   HN) (segid "AAAA" and resid   45 and name  HB2) 3.888 1.890 1.890 weight 1.000 ! spec=n3dnoesy, no=711, id=2025, vol=3.156000e+00
assign (segid "AAAA" and resid   46 and name   HN) (segid "AAAA" and resid   46 and name  HB2) 2.745 0.942 0.942 weight 1.000 ! spec=n3dnoesy, no=712, id=2026, vol=2.549900e+01
    or (segid "AAAA" and resid   46 and name   HN) (segid "AAAA" and resid   46 and name  HB1)
    or (segid "AAAA" and resid   46 and name   HN) (segid "AAAA" and resid   46 and name  HB3)
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   35 and name   HN) 4.041 2.041 2.041 weight 1.000 ! spec=n3dnoesy, no=713, id=2027, vol=2.504000e+00
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   34 and name   HA) 2.695 0.908 0.908 weight 1.000 ! spec=n3dnoesy, no=715, id=2029, vol=2.848500e+01
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   37 and name  HA2) 2.483 0.770 0.770 weight 1.000 ! spec=n3dnoesy, no=716, id=2030, vol=4.656900e+01
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   37 and name  HA1) 2.377 0.706 0.706 weight 1.000 ! spec=n3dnoesy, no=717, id=2031, vol=6.045800e+01
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   36 and name  HB2) 2.789 0.972 0.972 weight 1.000 ! spec=n3dnoesy, no=719, id=2033, vol=2.318200e+01
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   36 and name  HB1)
    or (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   36 and name  HB3)
assign (segid "AAAA" and resid   61 and name   HN) (segid "AAAA" and resid   60 and name   HN) 2.540 0.806 0.806 weight 1.000 ! spec=n3dnoesy, no=721, id=2035, vol=4.059800e+01
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   59 and name   HA) 2.947 1.085 1.085 weight 1.000 ! spec=n3dnoesy, no=724, id=2038, vol=1.665600e+01
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   60 and name  HA2) 2.392 0.715 0.715 weight 1.000 ! spec=n3dnoesy, no=725, id=2039, vol=5.819700e+01
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   59 and name  HB2) 3.680 1.692 1.692 weight 1.000 ! spec=n3dnoesy, no=726, id=2040, vol=4.392000e+00
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   59 and name  HB1) 3.960 1.960 1.960 weight 1.000 ! spec=n3dnoesy, no=728, id=2042, vol=2.829000e+00
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   64 and name  HB2) 3.705 1.716 1.716 weight 1.000 ! spec=n3dnoesy, no=729, id=2043, vol=4.212000e+00
    or (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   64 and name  HB1)
    or (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   64 and name  HB3)
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   14 and name  HB1) 3.632 1.649 1.649 weight 1.000 ! spec=n3dnoesy, no=730, id=2044, vol=4.746000e+00
assign (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   68 and name   HA) 3.265 1.332 1.332 weight 1.000 ! spec=n3dnoesy, no=731, id=2045, vol=9.000000e+00
assign (segid "AAAA" and resid   72 and name   HN) (segid "AAAA" and resid   71 and name   HA) 2.604 0.847 0.847 weight 1.000 ! spec=n3dnoesy, no=732, id=2046, vol=3.500000e+01
assign (segid "AAAA" and resid   32 and name   HN) (segid "AAAA" and resid   31 and name   HA) 3.279 1.344 1.344 weight 1.000 ! spec=n3dnoesy, no=733, id=2047, vol=8.774000e+00
assign (segid "BBBB" and resid  108 and name   HN) (segid "BBBB" and resid  108 and name  HB2) 3.287 1.351 1.351 weight 1.000 ! spec=n3dnoesy, no=734, id=2048, vol=8.644000e+00
assign (segid "BBBB" and resid  108 and name   HN) (segid "BBBB" and resid  108 and name   HA) 3.447 1.485 1.485 weight 1.000 ! spec=n3dnoesy, no=735, id=2049, vol=6.500000e+00
assign (segid "BBBB" and resid   93 and name   HN) (segid "BBBB" and resid   93 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=n3dnoesy, no=736, id=2050, vol=1.539600e+01
assign (segid "BBBB" and resid  105 and name   HN) (segid "BBBB" and resid  104 and name   HA) 2.410 0.726 0.726 weight 1.000 ! spec=n3dnoesy, no=737, id=2051, vol=5.565900e+01
assign (segid "AAAA" and resid   39 and name   HN) (segid "AAAA" and resid   39 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=n3dnoesy, no=738, id=2052, vol=1.193200e+01
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   49 and name  HB2) 3.416 1.459 1.459 weight 1.000 ! spec=n3dnoesy, no=739, id=2053, vol=6.860000e+00
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   25 and name   HG) 2.529 0.799 0.799 weight 1.000 ! spec=n3dnoesy, no=743, id=2057, vol=4.170800e+01
assign (segid "BBBB" and resid   98 and name   HN) (segid "BBBB" and resid   97 and name   HA) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=744, id=2058, vol=1.000000e+01
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   25 and name HD12) 2.921 1.067 1.067 weight 1.000 ! spec=n3dnoesy, no=745, id=2059, vol=1.753600e+01
    or (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   25 and name HD11)
    or (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   25 and name HD13)
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   20 and name   HN) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=746, id=2060, vol=1.000000e+01
assign (segid "AAAA" and resid   66 and name   HN) (segid "AAAA" and resid   65 and name HG12) 2.813 0.989 0.989 weight 1.000 ! spec=n3dnoesy, no=747, id=2061, vol=2.200000e+01
    or (segid "AAAA" and resid   66 and name   HN) (segid "AAAA" and resid   65 and name HG11)
    or (segid "AAAA" and resid   66 and name   HN) (segid "AAAA" and resid   65 and name HG13)
assign (segid "AAAA" and resid   62 and name   HN) (segid "AAAA" and resid    8 and name   HN) 3.601 1.621 1.621 weight 1.000 ! spec=n3dnoesy, no=748, id=2062, vol=5.000000e+00
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name   HG) 2.748 0.944 0.944 weight 1.000 ! spec=n3dnoesy, no=749, id=2063, vol=2.533400e+01
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   50 and name   HA) 3.737 1.746 1.746 weight 1.000 ! spec=n3dnoesy, no=750, id=2064, vol=4.000000e+00
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   51 and name   HA) 3.679 1.691 1.691 weight 1.000 ! spec=n3dnoesy, no=751, id=2065, vol=4.400000e+00
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   54 and name   HA) 2.815 0.991 0.991 weight 1.000 ! spec=n3dnoesy, no=752, id=2066, vol=2.190300e+01
assign (segid "AAAA" and resid   38 and name   HN) (segid "AAAA" and resid   38 and name   HA) 3.601 1.621 1.621 weight 1.000 ! spec=n3dnoesy, no=754, id=2068, vol=5.000000e+00
assign (segid "AAAA" and resid   65 and name   HN) (segid "AAAA" and resid   64 and name   HA) 2.751 0.946 0.946 weight 1.000 ! spec=n3dnoesy, no=755, id=2069, vol=2.514500e+01
assign (segid "AAAA" and resid   68 and name   HN) (segid "AAAA" and resid   65 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=n3dnoesy, no=756, id=2070, vol=2.615800e+01
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   68 and name   HA) 3.515 1.545 1.545 weight 1.000 ! spec=n3dnoesy, no=757, id=2071, vol=5.778000e+00
assign (segid "AAAA" and resid   23 and name   HN) (segid "AAAA" and resid   23 and name   HA) 2.578 0.831 0.831 weight 1.000 ! spec=n3dnoesy, no=758, id=2072, vol=3.716900e+01
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   69 and name   HN) 2.451 0.751 0.751 weight 1.000 ! spec=n3dnoesy, no=759, id=2073, vol=5.022700e+01
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   18 and name   HN) 2.479 0.768 0.768 weight 1.000 ! spec=n3dnoesy, no=760, id=2074, vol=4.701700e+01
assign (segid "AAAA" and resid   49 and name   HN) (segid "AAAA" and resid   48 and name   HB) 2.612 0.853 0.853 weight 1.000 ! spec=n3dnoesy, no=761, id=2075, vol=3.431900e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   32 and name   HA) 3.199 1.279 1.279 weight 1.000 ! spec=n3dnoesy, no=762, id=2076, vol=1.018100e+01
assign (segid "AAAA" and resid   33 and name   HN) (segid "AAAA" and resid   30 and name   HA) 3.306 1.366 1.366 weight 1.000 ! spec=n3dnoesy, no=763, id=2077, vol=8.356000e+00
assign (segid "AAAA" and resid   44 and name   HN) (segid "AAAA" and resid   45 and name   HN) 2.380 0.708 0.708 weight 1.000 ! spec=n3dnoesy, no=765, id=2079, vol=6.000000e+01
assign (segid "AAAA" and resid   25 and name   HN) (segid "AAAA" and resid   24 and name  HB1) 3.665 1.679 1.679 weight 1.000 ! spec=n3dnoesy, no=766, id=2080, vol=4.500000e+00
assign (segid "AAAA" and resid   41 and name   HN) (segid "AAAA" and resid   40 and name   HN) 3.665 1.679 1.679 weight 1.000 ! spec=n3dnoesy, no=767, id=2081, vol=4.500000e+00
assign (segid "BBBB" and resid  108 and name  HE1) (segid "BBBB" and resid  108 and name  HZ2) 4.042 2.042 2.042 weight 1.000 ! spec=n3dnoesy, no=768, id=2082, vol=2.500000e+00
assign (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   90 and name  HB1) 3.601 1.621 1.621 weight 1.000 ! spec=n3dnoesy, no=769, id=2083, vol=5.000000e+00
assign (segid "BBBB" and resid   92 and name   HN) (segid "BBBB" and resid   90 and name  HB2) 3.601 1.621 1.621 weight 1.000 ! spec=n3dnoesy, no=770, id=2084, vol=5.000000e+00
assign (segid "AAAA" and resid    9 and name   HN) (segid "AAAA" and resid    8 and name  HB2) 3.405 1.449 1.449 weight 1.000 ! spec=n3dnoesy, no=771, id=2085, vol=7.000000e+00
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   34 and name  HB2) 2.453 0.752 0.752 weight 1.000 ! spec=n3dnoesy, no=772, id=2086, vol=5.000000e+01
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   44 and name HG21) 3.921 1.922 1.922 weight 1.000 ! spec=n3dnoesy, no=773, id=2087, vol=3.000000e+00
    or (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   44 and name HG22)
    or (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   44 and name HG23)
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   20 and name   HZ) 4.042 2.042 2.042 weight 1.000 ! spec=n3dnoesy, no=774, id=2088, vol=2.500000e+00
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   53 and name   HN) 2.909 1.058 1.058 weight 1.000 ! spec=n3dnoesy, no=775, id=2089, vol=1.800000e+01
assign (segid "BBBB" and resid   98 and name   HN) (segid "BBBB" and resid   98 and name  HB2) 3.158 1.246 1.246 weight 1.000 ! spec=n3dnoesy, no=776, id=2090, vol=1.100000e+01
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   50 and name   HA) 3.737 1.746 1.746 weight 1.000 ! spec=n3dnoesy, no=777, id=2091, vol=4.000000e+00
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   53 and name   HA) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=778, id=2092, vol=1.000000e+00
assign (segid "AAAA" and resid   66 and name   HN) (segid "AAAA" and resid   66 and name   HA) 2.671 0.892 0.892 weight 1.000 ! spec=n3dnoesy, no=779, id=2093, vol=3.000000e+01
assign (segid "AAAA" and resid   67 and name   HN) (segid "AAAA" and resid   66 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=n3dnoesy, no=780, id=2094, vol=3.000000e+01
assign (segid "AAAA" and resid   64 and name   HN) (segid "AAAA" and resid   66 and name   HN) 3.737 1.746 1.746 weight 1.000 ! spec=n3dnoesy, no=781, id=2095, vol=4.000000e+00
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   55 and name  HD1) 3.601 1.621 1.621 weight 1.000 ! spec=n3dnoesy, no=782, id=2096, vol=5.000000e+00
    or (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   55 and name  HD2)
assign (segid "AAAA" and resid   23 and name HD21) (segid "AAAA" and resid   23 and name   HN) 3.366 1.416 1.416 weight 1.000 ! spec=n3dnoesy, no=783, id=2097, vol=7.500000e+00
assign (segid "AAAA" and resid   15 and name   HN) (segid "AAAA" and resid   16 and name  HD1) 5.286 3.492 3.492 weight 1.000 ! spec=n3dnoesy, no=784, id=2098, vol=5.000000e-01
assign (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   20 and name  HD1) 5.286 3.492 3.492 weight 1.000 ! spec=n3dnoesy, no=785, id=2099, vol=5.000000e-01
    or (segid "AAAA" and resid   14 and name  HE1) (segid "AAAA" and resid   20 and name  HD2)
assign (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   29 and name HD12) 5.286 3.492 3.492 weight 1.000 ! spec=n3dnoesy, no=786, id=2100, vol=5.000000e-01
    or (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   29 and name HD11)
    or (segid "AAAA" and resid   26 and name   HN) (segid "AAAA" and resid   29 and name HD13)
assign (segid "BBBB" and resid   95 and name   HN) (segid "BBBB" and resid   95 and name   HA) 2.516 0.791 0.791 weight 1.000 ! spec=n3dnoesy, no=788, id=2102, vol=4.300000e+01
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   46 and name   HN) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=789, id=2103, vol=1.000000e+00
assign (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   48 and name HG21) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=790, id=2104, vol=1.000000e+00
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   48 and name HG22)
    or (segid "AAAA" and resid   45 and name   HN) (segid "AAAA" and resid   48 and name HG23)
assign (segid "AAAA" and resid   35 and name   HN) (segid "AAAA" and resid   32 and name   HN) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=791, id=2105, vol=1.000000e+00
assign (segid "AAAA" and resid   22 and name   HN) (segid "AAAA" and resid   24 and name   HN) 3.921 1.922 1.922 weight 1.000 ! spec=n3dnoesy, no=794, id=2108, vol=3.000000e+00
assign (segid "AAAA" and resid   14 and name   HN) (segid "AAAA" and resid   14 and name   HA) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=795, id=2109, vol=1.000000e+01
assign (segid "AAAA" and resid   53 and name   HN) (segid "AAAA" and resid   51 and name   HA) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=796, id=2110, vol=1.000000e+00
assign (segid "AAAA" and resid   58 and name   HN) (segid "AAAA" and resid   54 and name   HA) 3.601 1.621 1.621 weight 1.000 ! spec=n3dnoesy, no=797, id=2111, vol=5.000000e+00
assign (segid "AAAA" and resid   20 and name   HN) (segid "AAAA" and resid   21 and name   HN) 4.042 2.042 2.042 weight 1.000 ! spec=n3dnoesy, no=798, id=2112, vol=2.500000e+00
assign (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   83 and name HD12) 4.195 2.200 2.200 weight 1.000 ! spec=n3dnoesy, no=799, id=2113, vol=2.000000e+00
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   83 and name HD11)
    or (segid "BBBB" and resid   86 and name   HN) (segid "BBBB" and resid   83 and name HD13)
assign (segid "AAAA" and resid   30 and name   HN) (segid "AAAA" and resid   29 and name   HN) 2.754 0.948 0.948 weight 1.000 ! spec=n3dnoesy, no=802, id=2116, vol=2.500000e+01
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   55 and name  HB1) 3.208 1.287 1.287 weight 1.000 ! spec=n3dnoesy, no=804, id=2118, vol=1.000000e+01
assign (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HD12) 3.158 1.246 1.246 weight 1.000 ! spec=n3dnoesy, no=805, id=2119, vol=1.100000e+01
    or (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HD11)
    or (segid "AAAA" and resid   56 and name   HN) (segid "AAAA" and resid   56 and name HD13)
assign (segid "AAAA" and resid   29 and name   HN) (segid "AAAA" and resid   29 and name   HA) 3.112 1.211 1.211 weight 1.000 ! spec=n3dnoesy, no=806, id=2120, vol=1.200000e+01
assign (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   52 and name HG22) 5.286 3.492 3.492 weight 1.000 ! spec=n3dnoesy, no=808, id=2122, vol=5.000000e-01
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   55 and name   HN) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name HG22) 3.033 1.150 1.150 weight 1.000 ! spec=n3dnoesy, no=813, id=2125, vol=1.400000e+01
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name HG21)
    or (segid "AAAA" and resid   52 and name   HN) (segid "AAAA" and resid   52 and name HG23)
assign (segid "AAAA" and resid   54 and name   HN) (segid "AAAA" and resid   56 and name   HN) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=815, id=2127, vol=1.000000e+00
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   32 and name   HA) 3.921 1.922 1.922 weight 1.000 ! spec=n3dnoesy, no=816, id=2128, vol=3.000000e+00
assign (segid "AAAA" and resid   36 and name   HN) (segid "AAAA" and resid   37 and name  HA1) 4.195 2.200 2.200 weight 1.000 ! spec=n3dnoesy, no=817, id=2129, vol=2.000000e+00
assign (segid "AAAA" and resid   47 and name   HN) (segid "AAAA" and resid   46 and name   HA) 3.330 1.386 1.386 weight 1.000 ! spec=n3dnoesy, no=820, id=2132, vol=8.000000e+00
assign (segid "AAAA" and resid   70 and name   HN) (segid "AAAA" and resid   66 and name   HA) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=821, id=2133, vol=1.000000e+00
assign (segid "AAAA" and resid   69 and name   HN) (segid "AAAA" and resid   67 and name   HA) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=822, id=2134, vol=1.000000e+00
assign (segid "AAAA" and resid   51 and name   HN) (segid "AAAA" and resid   49 and name   HN) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=824, id=2136, vol=1.000000e+00
assign (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   56 and name HG22) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=825, id=2137, vol=1.000000e+00
    or (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   56 and name HG21)
    or (segid "AAAA" and resid   59 and name   HN) (segid "AAAA" and resid   56 and name HG23)
assign (segid "AAAA" and resid   19 and name   HN) (segid "AAAA" and resid   19 and name  HA1) 2.623 0.860 0.860 weight 1.000 ! spec=n3dnoesy, no=829, id=2140, vol=3.350000e+01
assign (segid "AAAA" and resid   37 and name   HN) (segid "AAAA" and resid   38 and name HG11) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=830, id=2141, vol=1.000000e+00
assign (segid "AAAA" and resid   60 and name   HN) (segid "AAAA" and resid   61 and name  HA2) 4.709 2.772 2.772 weight 1.000 ! spec=n3dnoesy, no=832, id=2143, vol=1.000000e+00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  -9.781   4.872 -13.992
    2    H2   GLY   1           HT2      GLY   1  -8.734   4.813 -15.327
    3    H3   GLY   1           HT3      GLY   1 -10.310   4.198 -15.453
    4    HA2  GLY   1           HA1      GLY   1 -10.080   6.367 -16.534
    5    HA3  GLY   1           HA2      GLY   1 -11.271   6.345 -15.244
    6    H    HIS   2           HN       HIS   2  -9.318   8.370 -16.532
    7    HA   HIS   2           HA       HIS   2  -8.846   9.795 -14.030
    8    HD1  HIS   2           HD1      HIS   2  -5.553   7.159 -15.476
    9    HD2  HIS   2           HD2      HIS   2  -6.847   9.188 -12.078
   10    HE1  HIS   2           HE1      HIS   2  -4.763   5.786 -13.521
   11    HE2  HIS   2           HE2      HIS   2  -5.644   6.964 -11.473
   12    HB2  HIS   2           HB2      HIS   2  -6.647   9.274 -16.047
   13    HB3  HIS   2           HB1      HIS   2  -6.555  10.499 -14.792
   14    H    MET   3           HN       MET   3 -10.802  10.145 -15.963
   15    HA   MET   3           HA       MET   3 -10.094  11.810 -18.100
   16    HB2  MET   3           HB2      MET   3 -12.537  12.358 -18.224
   17    HB3  MET   3           HB1      MET   3 -12.165  10.643 -18.221
   18    HG2  MET   3           HG2      MET   3 -12.713  10.596 -15.795
   19    HG3  MET   3           HG1      MET   3 -13.237  12.273 -15.931
   20    HE1  MET   3           HE1      MET   3 -14.568  12.288 -18.828
   21    HE2  MET   3           HE2      MET   3 -15.318  13.055 -17.429
   22    HE3  MET   3           HE3      MET   3 -16.253  11.948 -18.435
   23    H    SER   4           HN       SER   4 -11.778  12.821 -15.099
   24    HA   SER   4           HA       SER   4 -10.191  15.218 -14.972
   25    HG   SER   4           HG       SER   4 -11.077  15.410 -17.178
   26    HB2  SER   4           HB2      SER   4 -13.174  15.476 -15.437
   27    HB3  SER   4           HB1      SER   4 -12.040  16.796 -15.167
   28    H    GLY   5           HN       GLY   5  -9.837  15.574 -12.870
   29    HA2  GLY   5           HA2      GLY   5 -10.283  15.895 -10.631
   30    HA3  GLY   5           HA1      GLY   5 -11.986  15.638 -10.980
   31    H    PHE   6           HN       PHE   6  -8.920  13.881 -10.634
   32    HA   PHE   6           HA       PHE   6 -10.365  11.471  -9.921
   33    HD1  PHE   6           HD1      PHE   6  -7.486  13.184 -12.131
   34    HD2  PHE   6           HD2      PHE   6  -6.232  11.424  -8.467
   35    HE1  PHE   6           HE1      PHE   6  -5.439  14.544 -12.185
   36    HE2  PHE   6           HE2      PHE   6  -4.183  12.785  -8.512
   37    HZ   PHE   6           HZ       PHE   6  -3.783  14.347 -10.374
   38    HB2  PHE   6           HB2      PHE   6  -8.042  10.492  -9.677
   39    HB3  PHE   6           HB1      PHE   6  -8.461  11.061 -11.286
   40    H    LYS   7           HN       LYS   7 -11.001  11.058  -7.949
   41    HA   LYS   7           HA       LYS   7 -10.086  12.695  -5.741
   42    HB2  LYS   7           HB2      LYS   7 -12.155  10.492  -5.868
   43    HB3  LYS   7           HB1      LYS   7 -11.842  11.494  -4.456
   44    HG2  LYS   7           HG2      LYS   7 -12.499  13.481  -5.724
   45    HG3  LYS   7           HG1      LYS   7 -12.820  12.471  -7.133
   46    HD2  LYS   7           HD2      LYS   7 -14.886  12.985  -5.963
   47    HD3  LYS   7           HD1      LYS   7 -14.535  11.260  -5.859
   48    HE2  LYS   7           HE2      LYS   7 -15.295  12.059  -3.711
   49    HE3  LYS   7           HE1      LYS   7 -13.591  11.620  -3.605
   50    HZ1  LYS   7           HZ1      LYS   7 -14.044  13.705  -2.479
   51    HZ2  LYS   7           HZ2      LYS   7 -14.654  14.380  -3.907
   52    HZ3  LYS   7           HZ3      LYS   7 -13.016  13.961  -3.803
   53    H    HIS   8           HN       HIS   8  -7.948  11.537  -6.376
   54    HA   HIS   8           HA       HIS   8  -7.038  10.081  -4.193
   55    HD1  HIS   8           HD1      HIS   8  -9.932   7.949  -6.637
   56    HD2  HIS   8           HD2      HIS   8  -6.141   8.236  -8.324
   57    HE1  HIS   8           HE1      HIS   8 -10.247   7.510  -9.086
   58    HE2  HIS   8           HE2      HIS   8  -7.916   7.449 -10.027
   59    HB2  HIS   8           HB2      HIS   8  -6.450   7.921  -5.465
   60    HB3  HIS   8           HB1      HIS   8  -8.106   8.093  -4.906
   61    H    VAL   9           HN       VAL   9  -5.274  11.410  -4.215
   62    HA   VAL   9           HA       VAL   9  -4.066  12.230  -6.672
   63    HB   VAL   9           HB       VAL   9  -2.984  12.584  -3.871
   64   HG11  VAL   9          HG11      VAL   9  -1.359  12.991  -5.643
   65   HG12  VAL   9          HG12      VAL   9  -1.797  14.492  -4.827
   66   HG13  VAL   9          HG13      VAL   9  -2.471  14.122  -6.414
   67   HG21  VAL   9          HG21      VAL   9  -4.075  14.792  -3.910
   68   HG22  VAL   9          HG22      VAL   9  -5.240  13.472  -3.971
   69   HG23  VAL   9          HG23      VAL   9  -4.848  14.369  -5.436
   70    H    SER  10           HN       SER  10  -2.605  11.147  -7.781
   71    HA   SER  10           HA       SER  10  -1.707   8.610  -6.998
   72    HG   SER  10           HG       SER  10  -2.829   8.774  -9.215
   73    HB2  SER  10           HB2      SER  10  -0.442  10.314  -9.135
   74    HB3  SER  10           HB1      SER  10  -0.513   8.555  -9.042
   75    H    HIS  11           HN       HIS  11  -0.458  11.741  -6.341
   76    HA   HIS  11           HA       HIS  11   2.208  11.150  -5.759
   77    HD1  HIS  11           HD1      HIS  11   0.646  15.468  -5.448
   78    HD2  HIS  11           HD2      HIS  11   3.448  12.712  -6.813
   79    HE1  HIS  11           HE1      HIS  11   1.940  16.646  -7.249
   80    HE2  HIS  11           HE2      HIS  11   3.806  15.060  -7.835
   81    HB2  HIS  11           HB2      HIS  11   0.263  13.107  -4.568
   82    HB3  HIS  11           HB1      HIS  11   1.865  12.905  -3.873
   83    H    VAL  12           HN       VAL  12  -0.541  11.197  -3.484
   84    HA   VAL  12           HA       VAL  12  -0.794  10.189  -1.436
   85    HB   VAL  12           HB       VAL  12  -1.830   8.752  -3.105
   86   HG11  VAL  12          HG11      VAL  12  -0.730   6.629  -3.787
   87   HG12  VAL  12          HG12      VAL  12   0.783   7.263  -3.135
   88   HG13  VAL  12          HG13      VAL  12  -0.011   8.085  -4.484
   89   HG21  VAL  12          HG21      VAL  12  -2.130   8.133  -0.805
   90   HG22  VAL  12          HG22      VAL  12  -0.613   7.231  -0.810
   91   HG23  VAL  12          HG23      VAL  12  -1.972   6.676  -1.787
   92    H    GLY  13           HN       GLY  13   1.906  11.049  -1.510
   93    HA2  GLY  13           HA2      GLY  13   3.955  10.713  -0.527
   94    HA3  GLY  13           HA1      GLY  13   3.082   9.700   0.610
   95    H    TRP  14           HN       TRP  14   3.278   9.008  -2.794
   96    HA   TRP  14           HA       TRP  14   4.901   6.621  -2.194
   97    HD1  TRP  14           HD1      TRP  14   4.365   3.759  -2.944
   98    HE1  TRP  14           HE1      TRP  14   4.675   2.316  -5.055
   99    HE3  TRP  14           HE3      TRP  14   2.472   6.996  -6.415
  100    HZ2  TRP  14           HZ2      TRP  14   4.151   2.517  -7.824
  101    HZ3  TRP  14           HZ3      TRP  14   2.398   6.292  -8.773
  102    HH2  TRP  14           HH2      TRP  14   3.226   4.099  -9.462
  103    HB2  TRP  14           HB2      TRP  14   2.640   5.938  -2.581
  104    HB3  TRP  14           HB1      TRP  14   2.490   6.994  -3.977
  105    H    ASP  15           HN       ASP  15   6.504   6.098  -3.634
  106    HA   ASP  15           HA       ASP  15   6.881   7.952  -5.885
  107    HB2  ASP  15           HB2      ASP  15   8.734   8.027  -4.288
  108    HB3  ASP  15           HB1      ASP  15   8.913   6.277  -4.387
  109    HA   PRO  16           HA       PRO  16   5.539   4.877  -8.649
  110    HB2  PRO  16           HB2      PRO  16   7.401   5.559 -10.665
  111    HB3  PRO  16           HB1      PRO  16   5.747   6.144 -10.494
  112    HG2  PRO  16           HG2      PRO  16   8.301   7.416  -9.665
  113    HG3  PRO  16           HG1      PRO  16   6.793   8.170 -10.211
  114    HD2  PRO  16           HD2      PRO  16   7.513   8.207  -7.638
  115    HD3  PRO  16           HD1      PRO  16   5.812   8.004  -8.110
  116    H    GLN  17           HN       GLN  17   9.016   5.148  -8.011
  117    HA   GLN  17           HA       GLN  17   9.308   2.367  -8.916
  118    HB2  GLN  17           HB2      GLN  17  10.800   3.900 -10.031
  119    HB3  GLN  17           HB1      GLN  17  11.416   4.472  -8.487
  120    HG2  GLN  17           HG2      GLN  17  12.295   2.236  -8.018
  121    HG3  GLN  17           HG1      GLN  17  11.700   1.681  -9.579
  122   HE21  GLN  17          HE21      GLN  17  14.394   1.743  -8.515
  123   HE22  GLN  17          HE22      GLN  17  15.334   2.675  -9.633
  124    H    ASN  18           HN       ASN  18  10.309   4.524  -6.222
  125    HA   ASN  18           HA       ASN  18  11.356   2.167  -4.849
  126    HB2  ASN  18           HB2      ASN  18  11.687   5.107  -4.329
  127    HB3  ASN  18           HB1      ASN  18  12.278   3.864  -3.228
  128   HD21  ASN  18          HD21      ASN  18  13.795   5.828  -4.709
  129   HD22  ASN  18          HD22      ASN  18  14.886   4.944  -5.731
  130    H    GLY  19           HN       GLY  19   8.395   3.280  -5.016
  131    HA2  GLY  19           HA2      GLY  19   6.661   2.385  -3.766
  132    HA3  GLY  19           HA1      GLY  19   7.820   1.929  -2.534
  133    H    PHE  20           HN       PHE  20   6.063   2.632  -1.161
  134    HA   PHE  20           HA       PHE  20   5.290   5.370  -1.029
  135    HD1  PHE  20           HD2      PHE  20   2.486   5.560  -0.054
  136    HD2  PHE  20           HD1      PHE  20   3.933   1.608  -0.667
  137    HE1  PHE  20           HE2      PHE  20   0.416   4.992  -1.256
  138    HE2  PHE  20           HE1      PHE  20   1.866   1.032  -1.866
  139    HZ   PHE  20           HZ       PHE  20   0.102   2.726  -2.164
  140    HB2  PHE  20           HB2      PHE  20   4.991   3.074   0.914
  141    HB3  PHE  20           HB1      PHE  20   4.360   4.685   1.232
  142    H    ASP  21           HN       ASP  21   6.242   7.017  -0.042
  143    HA   ASP  21           HA       ASP  21   8.748   6.674   1.319
  144    HB2  ASP  21           HB2      ASP  21   8.135   8.705  -0.063
  145    HB3  ASP  21           HB1      ASP  21   7.005   9.152   1.209
  146    H    VAL  22           HN       VAL  22   8.384   5.437   3.113
  147    HA   VAL  22           HA       VAL  22   6.092   5.495   4.738
  148    HB   VAL  22           HB       VAL  22   7.459   4.187   6.355
  149   HG11  VAL  22          HG11      VAL  22   6.320   3.077   4.522
  150   HG12  VAL  22          HG12      VAL  22   7.865   2.291   4.841
  151   HG13  VAL  22          HG13      VAL  22   7.698   3.374   3.461
  152   HG21  VAL  22          HG21      VAL  22   9.746   3.590   5.835
  153   HG22  VAL  22          HG22      VAL  22   9.617   5.343   5.959
  154   HG23  VAL  22          HG23      VAL  22   9.704   4.575   4.374
  155    H    ASN  23           HN       ASN  23   8.678   7.736   4.659
  156    HA   ASN  23           HA       ASN  23   8.367   8.587   7.413
  157    HB2  ASN  23           HB2      ASN  23  10.561   8.851   6.422
  158    HB3  ASN  23           HB1      ASN  23   9.895   9.786   5.088
  159   HD21  ASN  23          HD21      ASN  23   9.539  11.922   5.336
  160   HD22  ASN  23          HD22      ASN  23   9.938  12.815   6.767
  161    H    ASN  24           HN       ASN  24   7.219   9.428   4.240
  162    HA   ASN  24           HA       ASN  24   5.518  11.556   5.383
  163    HB2  ASN  24           HB2      ASN  24   6.473  11.084   2.552
  164    HB3  ASN  24           HB1      ASN  24   5.185  12.212   2.950
  165   HD21  ASN  24          HD21      ASN  24   6.419  13.080   5.435
  166   HD22  ASN  24          HD22      ASN  24   7.742  14.100   4.966
  167    H    LEU  25           HN       LEU  25   5.082   8.724   5.608
  168    HA   LEU  25           HA       LEU  25   3.054   8.096   3.632
  169    HG   LEU  25           HG       LEU  25   2.916   5.775   6.159
  170    HB2  LEU  25           HB2      LEU  25   4.416   6.298   3.655
  171    HB3  LEU  25           HB1      LEU  25   5.033   6.659   5.254
  172   HD11  LEU  25          HD11      LEU  25   1.553   5.913   4.156
  173   HD12  LEU  25          HD12      LEU  25   1.646   4.233   4.694
  174   HD13  LEU  25          HD13      LEU  25   2.631   4.785   3.337
  175   HD21  LEU  25          HD21      LEU  25   4.766   3.978   4.633
  176   HD22  LEU  25          HD22      LEU  25   3.552   3.377   5.764
  177   HD23  LEU  25          HD23      LEU  25   4.850   4.431   6.338
  178    H    ASP  26           HN       ASP  26   1.005   8.220   4.135
  179    HA   ASP  26           HA       ASP  26   0.062   9.335   6.507
  180    HB2  ASP  26           HB2      ASP  26  -1.155   9.535   4.442
  181    HB3  ASP  26           HB1      ASP  26  -1.381   7.792   4.354
  182    HA   PRO  27           HA       PRO  27   0.115   6.051   9.447
  183    HB2  PRO  27           HB2      PRO  27  -2.125   7.620  10.612
  184    HB3  PRO  27           HB1      PRO  27  -0.630   7.053  11.364
  185    HG2  PRO  27           HG2      PRO  27  -0.926   9.607  10.704
  186    HG3  PRO  27           HG1      PRO  27   0.628   8.782  10.482
  187    HD2  PRO  27           HD2      PRO  27  -1.437   9.513   8.448
  188    HD3  PRO  27           HD1      PRO  27   0.333   9.537   8.320
  189    H    ASP  28           HN       ASP  28  -2.980   7.166   8.089
  190    HA   ASP  28           HA       ASP  28  -4.474   4.896   8.926
  191    HB2  ASP  28           HB2      ASP  28  -4.945   6.879   6.690
  192    HB3  ASP  28           HB1      ASP  28  -6.092   5.619   7.134
  193    H    LEU  29           HN       LEU  29  -2.880   5.758   5.874
  194    HA   LEU  29           HA       LEU  29  -3.302   3.342   4.532
  195    HG   LEU  29           HG       LEU  29  -2.994   6.325   3.731
  196    HB2  LEU  29           HB2      LEU  29  -0.915   5.191   4.445
  197    HB3  LEU  29           HB1      LEU  29  -1.233   3.913   3.288
  198   HD11  LEU  29          HD11      LEU  29  -2.150   6.936   1.453
  199   HD12  LEU  29          HD12      LEU  29  -0.935   5.663   1.638
  200   HD13  LEU  29          HD13      LEU  29  -0.956   7.036   2.748
  201   HD21  LEU  29          HD21      LEU  29  -4.267   4.411   2.973
  202   HD22  LEU  29          HD22      LEU  29  -3.096   4.106   1.690
  203   HD23  LEU  29          HD23      LEU  29  -4.083   5.568   1.655
  204    H    ARG  30           HN       ARG  30  -0.703   4.371   6.701
  205    HA   ARG  30           HA       ARG  30   0.892   2.100   6.632
  206    HE   ARG  30           HE       ARG  30   4.712   2.269   9.483
  207    HB2  ARG  30           HB2      ARG  30   1.347   4.338   7.711
  208    HB3  ARG  30           HB1      ARG  30   0.428   3.755   9.093
  209    HG2  ARG  30           HG2      ARG  30   2.035   2.219   9.680
  210    HG3  ARG  30           HG1      ARG  30   2.695   2.128   8.041
  211    HD2  ARG  30           HD2      ARG  30   3.368   4.537   8.348
  212    HD3  ARG  30           HD1      ARG  30   3.019   4.324  10.064
  213   HH11  ARG  30          HH11      ARG  30   4.849   5.762   9.146
  214   HH12  ARG  30          HH12      ARG  30   6.584   5.815   9.173
  215   HH21  ARG  30          HH21      ARG  30   6.995   2.348   9.548
  216   HH22  ARG  30          HH22      ARG  30   7.811   3.879   9.411
  217    H    SER  31           HN       SER  31  -1.923   2.835   8.626
  218    HA   SER  31           HA       SER  31  -1.975   0.590  10.279
  219    HG   SER  31           HG       SER  31  -3.953   1.007  11.739
  220    HB2  SER  31           HB2      SER  31  -3.493   2.668  10.336
  221    HB3  SER  31           HB1      SER  31  -4.441   1.876   9.090
  222    H    LEU  32           HN       LEU  32  -3.554   1.149   7.162
  223    HA   LEU  32           HA       LEU  32  -4.787  -1.326   6.866
  224    HG   LEU  32           HG       LEU  32  -4.142  -1.526   3.704
  225    HB2  LEU  32           HB2      LEU  32  -5.369   0.569   5.489
  226    HB3  LEU  32           HB1      LEU  32  -3.761   0.612   4.794
  227   HD11  LEU  32          HD11      LEU  32  -6.316  -2.598   3.783
  228   HD12  LEU  32          HD12      LEU  32  -6.888  -1.382   4.923
  229   HD13  LEU  32          HD13      LEU  32  -5.606  -2.499   5.393
  230   HD21  LEU  32          HD21      LEU  32  -6.039  -0.835   2.215
  231   HD22  LEU  32          HD22      LEU  32  -4.736   0.341   2.380
  232   HD23  LEU  32          HD23      LEU  32  -6.250   0.572   3.256
  233    H    PHE  33           HN       PHE  33  -1.680  -0.185   5.655
  234    HA   PHE  33           HA       PHE  33  -1.097  -2.473   4.127
  235    HD1  PHE  33           HD2      PHE  33  -1.622  -1.171   2.702
  236    HD2  PHE  33           HD1      PHE  33   1.428   1.493   4.055
  237    HE1  PHE  33           HE2      PHE  33  -2.384   0.529   1.088
  238    HE2  PHE  33           HE1      PHE  33   0.659   3.183   2.450
  239    HZ   PHE  33           HZ       PHE  33  -1.207   2.705   0.950
  240    HB2  PHE  33           HB2      PHE  33   0.835  -0.481   5.335
  241    HB3  PHE  33           HB1      PHE  33   1.186  -1.588   4.012
  242    H    SER  34           HN       SER  34  -0.244  -1.540   7.416
  243    HA   SER  34           HA       SER  34   1.422  -3.734   7.965
  244    HG   SER  34           HG       SER  34   2.193  -3.524  10.317
  245    HB2  SER  34           HB2      SER  34   1.406  -1.686   9.295
  246    HB3  SER  34           HB1      SER  34  -0.210  -2.071   9.881
  247    H    ARG  35           HN       ARG  35  -2.063  -3.276   8.186
  248    HA   ARG  35           HA       ARG  35  -2.663  -5.708   9.516
  249    HE   ARG  35           HE       ARG  35  -5.405  -1.939  11.247
  250    HB2  ARG  35           HB2      ARG  35  -4.312  -4.041   7.619
  251    HB3  ARG  35           HB1      ARG  35  -4.936  -5.420   8.509
  252    HG2  ARG  35           HG2      ARG  35  -4.557  -4.326  10.592
  253    HG3  ARG  35           HG1      ARG  35  -3.737  -2.997   9.780
  254    HD2  ARG  35           HD2      ARG  35  -5.846  -2.517   8.552
  255    HD3  ARG  35           HD1      ARG  35  -6.640  -3.760   9.520
  256   HH11  ARG  35          HH11      ARG  35  -8.093  -2.058   8.970
  257   HH12  ARG  35          HH12      ARG  35  -8.999  -0.832   9.820
  258   HH21  ARG  35          HH21      ARG  35  -6.594  -0.339  12.326
  259   HH22  ARG  35          HH22      ARG  35  -8.154   0.136  11.715
  260    H    ALA  36           HN       ALA  36  -2.476  -4.744   6.152
  261    HA   ALA  36           HA       ALA  36  -3.394  -7.133   4.992
  262    HB1  ALA  36           HB1      ALA  36  -2.824  -6.160   2.923
  263    HB2  ALA  36           HB2      ALA  36  -1.533  -5.199   3.647
  264    HB3  ALA  36           HB3      ALA  36  -3.217  -4.798   3.975
  265    H    GLY  37           HN       GLY  37  -0.306  -6.199   6.228
  266    HA2  GLY  37           HA2      GLY  37   1.182  -8.065   6.825
  267    HA3  GLY  37           HA1      GLY  37   0.813  -8.754   5.248
  268    H    ILE  38           HN       ILE  38   0.874  -5.873   4.266
  269    HA   ILE  38           HA       ILE  38   3.477  -5.877   3.202
  270    HB   ILE  38           HB       ILE  38   1.730  -3.434   3.434
  271   HG12  ILE  38          HG12      ILE  38   1.477  -5.365   1.148
  272   HG13  ILE  38          HG11      ILE  38   0.549  -5.631   2.623
  273   HG21  ILE  38          HG21      ILE  38   3.945  -3.108   2.499
  274   HG22  ILE  38          HG22      ILE  38   2.720  -2.920   1.243
  275   HG23  ILE  38          HG23      ILE  38   3.667  -4.405   1.336
  276   HD11  ILE  38          HD11      ILE  38  -0.782  -4.450   1.000
  277   HD12  ILE  38          HD12      ILE  38   0.460  -3.201   0.859
  278   HD13  ILE  38          HD13      ILE  38  -0.428  -3.394   2.370
  279    H    SER  39           HN       SER  39   5.246  -5.566   4.420
  280    HA   SER  39           HA       SER  39   5.138  -3.772   6.707
  281    HG   SER  39           HG       SER  39   7.252  -4.919   8.405
  282    HB2  SER  39           HB2      SER  39   6.246  -5.993   6.905
  283    HB3  SER  39           HB1      SER  39   7.442  -5.452   5.735
  284    H    GLU  40           HN       GLU  40   7.440  -2.574   6.930
  285    HA   GLU  40           HA       GLU  40   7.272  -0.335   5.291
  286    HB2  GLU  40           HB2      GLU  40   8.343  -0.352   7.494
  287    HB3  GLU  40           HB1      GLU  40   9.633  -1.368   6.874
  288    HG2  GLU  40           HG2      GLU  40  10.383   0.420   5.424
  289    HG3  GLU  40           HG1      GLU  40   9.048   1.439   5.963
  290    H    ALA  41           HN       ALA  41   9.560  -3.059   5.111
  291    HA   ALA  41           HA       ALA  41  11.017  -2.239   2.891
  292    HB1  ALA  41           HB1      ALA  41  11.620  -4.150   4.298
  293    HB2  ALA  41           HB2      ALA  41  11.591  -4.584   2.587
  294    HB3  ALA  41           HB3      ALA  41  10.259  -5.058   3.642
  295    H    GLN  42           HN       GLN  42   8.128  -4.341   2.925
  296    HA   GLN  42           HA       GLN  42   7.933  -4.653   0.174
  297    HB2  GLN  42           HB2      GLN  42   5.789  -4.674   2.285
  298    HB3  GLN  42           HB1      GLN  42   5.471  -5.052   0.599
  299    HG2  GLN  42           HG2      GLN  42   7.183  -6.859   0.772
  300    HG3  GLN  42           HG1      GLN  42   7.236  -6.544   2.508
  301   HE21  GLN  42          HE21      GLN  42   5.389  -7.829  -0.117
  302   HE22  GLN  42          HE22      GLN  42   4.158  -8.577   0.843
  303    H    LEU  43           HN       LEU  43   6.598  -2.153   2.288
  304    HA   LEU  43           HA       LEU  43   5.038  -0.808   0.391
  305    HG   LEU  43           HG       LEU  43   4.467  -1.300   3.274
  306    HB2  LEU  43           HB2      LEU  43   6.418   0.145   2.887
  307    HB3  LEU  43           HB1      LEU  43   5.434   1.208   1.898
  308   HD11  LEU  43          HD11      LEU  43   3.215   0.220   4.699
  309   HD12  LEU  43          HD12      LEU  43   3.913   1.606   3.862
  310   HD13  LEU  43          HD13      LEU  43   4.944   0.544   4.822
  311   HD21  LEU  43          HD21      LEU  43   3.304  -0.892   1.174
  312   HD22  LEU  43          HD22      LEU  43   2.984   0.772   1.663
  313   HD23  LEU  43          HD23      LEU  43   2.252  -0.565   2.551
  314    H    THR  44           HN       THR  44   8.451  -0.887   0.851
  315    HA   THR  44           HA       THR  44   8.761   1.489  -0.842
  316    HB   THR  44           HB       THR  44  11.228   1.251  -0.128
  317    HG1  THR  44           HG1      THR  44  10.077  -0.160   2.058
  318   HG21  THR  44          HG21      THR  44   9.123   1.957   1.921
  319   HG22  THR  44          HG22      THR  44   9.760   3.030   0.676
  320   HG23  THR  44          HG23      THR  44  10.809   2.461   1.972
  321    H    ASP  45           HN       ASP  45   8.233  -1.549  -1.442
  322    HA   ASP  45           HA       ASP  45  10.442  -1.985  -3.303
  323    HB2  ASP  45           HB2      ASP  45   9.266  -3.844  -1.874
  324    HB3  ASP  45           HB1      ASP  45   8.064  -3.790  -3.154
  325    H    ALA  46           HN       ALA  46  10.059  -2.373  -5.573
  326    HA   ALA  46           HA       ALA  46   8.516  -0.305  -6.677
  327    HB1  ALA  46           HB1      ALA  46   9.259  -1.071  -8.808
  328    HB2  ALA  46           HB2      ALA  46   9.651  -2.664  -8.156
  329    HB3  ALA  46           HB3      ALA  46  10.586  -1.253  -7.663
  330    H    GLU  47           HN       GLU  47   8.115  -3.802  -7.335
  331    HA   GLU  47           HA       GLU  47   5.676  -3.365  -8.689
  332    HB2  GLU  47           HB2      GLU  47   5.634  -5.642  -9.116
  333    HB3  GLU  47           HB1      GLU  47   7.348  -5.327  -8.911
  334    HG2  GLU  47           HG2      GLU  47   6.866  -6.038  -6.428
  335    HG3  GLU  47           HG1      GLU  47   5.464  -6.815  -7.156
  336    H    THR  48           HN       THR  48   6.449  -4.354  -5.402
  337    HA   THR  48           HA       THR  48   3.909  -5.083  -4.569
  338    HB   THR  48           HB       THR  48   6.025  -3.718  -2.876
  339    HG1  THR  48           HG1      THR  48   7.094  -5.518  -3.141
  340   HG21  THR  48          HG21      THR  48   3.639  -5.464  -2.212
  341   HG22  THR  48          HG22      THR  48   3.911  -3.787  -1.726
  342   HG23  THR  48          HG23      THR  48   4.924  -5.072  -1.065
  343    H    SER  49           HN       SER  49   5.460  -1.875  -4.125
  344    HA   SER  49           HA       SER  49   3.144  -0.733  -2.959
  345    HG   SER  49           HG       SER  49   6.495   0.168  -4.436
  346    HB2  SER  49           HB2      SER  49   4.334   1.392  -3.156
  347    HB3  SER  49           HB1      SER  49   5.425   0.131  -2.580
  348    H    LYS  50           HN       LYS  50   4.399  -0.814  -6.235
  349    HA   LYS  50           HA       LYS  50   2.785   1.099  -7.458
  350    HB2  LYS  50           HB2      LYS  50   4.736  -0.357  -8.393
  351    HB3  LYS  50           HB1      LYS  50   3.473  -1.508  -8.790
  352    HG2  LYS  50           HG2      LYS  50   2.349   0.272 -10.110
  353    HG3  LYS  50           HG1      LYS  50   3.746   1.305  -9.808
  354    HD2  LYS  50           HD2      LYS  50   5.140  -0.602 -10.787
  355    HD3  LYS  50           HD1      LYS  50   3.612  -1.252 -11.380
  356    HE2  LYS  50           HE2      LYS  50   4.495   0.019 -13.155
  357    HE3  LYS  50           HE1      LYS  50   3.231   1.017 -12.438
  358    HZ1  LYS  50           HZ1      LYS  50   5.079   2.415 -12.790
  359    HZ2  LYS  50           HZ2      LYS  50   6.164   1.298 -12.120
  360    HZ3  LYS  50           HZ3      LYS  50   5.057   2.104 -11.126
  361    H    LEU  51           HN       LEU  51   2.190  -2.325  -6.810
  362    HA   LEU  51           HA       LEU  51  -0.420  -2.243  -8.010
  363    HG   LEU  51           HG       LEU  51   1.548  -3.814  -9.021
  364    HB2  LEU  51           HB2      LEU  51   1.135  -4.344  -6.539
  365    HB3  LEU  51           HB1      LEU  51  -0.541  -4.591  -7.003
  366   HD11  LEU  51          HD11      LEU  51   2.269  -5.881  -7.899
  367   HD12  LEU  51          HD12      LEU  51   1.811  -6.146  -9.581
  368   HD13  LEU  51          HD13      LEU  51   0.710  -6.609  -8.284
  369   HD21  LEU  51          HD21      LEU  51  -1.132  -5.169  -9.200
  370   HD22  LEU  51          HD22      LEU  51  -0.055  -4.864 -10.564
  371   HD23  LEU  51          HD23      LEU  51  -0.766  -3.513  -9.678
  372    H    ILE  52           HN       ILE  52   0.889  -1.859  -4.786
  373    HA   ILE  52           HA       ILE  52  -1.543  -2.016  -3.383
  374    HB   ILE  52           HB       ILE  52   0.883  -0.306  -2.837
  375   HG12  ILE  52          HG12      ILE  52  -0.036  -2.963  -1.717
  376   HG13  ILE  52          HG11      ILE  52   1.327  -2.708  -2.801
  377   HG21  ILE  52          HG21      ILE  52  -1.473  -0.920  -1.058
  378   HG22  ILE  52          HG22      ILE  52  -1.078   0.649  -1.765
  379   HG23  ILE  52          HG23      ILE  52  -0.006  -0.075  -0.561
  380   HD11  ILE  52          HD11      ILE  52   1.056  -1.954   0.077
  381   HD12  ILE  52          HD12      ILE  52   2.270  -1.211  -0.966
  382   HD13  ILE  52          HD13      ILE  52   2.282  -2.954  -0.701
  383    H    TYR  53           HN       TYR  53   0.022   0.722  -5.059
  384    HA   TYR  53           HA       TYR  53  -1.987   2.591  -4.400
  385    HD1  TYR  53           HD2      TYR  53  -2.033   5.036  -4.807
  386    HD2  TYR  53           HD1      TYR  53  -0.836   3.590  -8.626
  387    HE1  TYR  53           HE2      TYR  53  -3.295   6.860  -5.889
  388    HE2  TYR  53           HE1      TYR  53  -2.103   5.397  -9.718
  389    HH   TYR  53           HH       TYR  53  -4.134   6.849  -9.101
  390    HB2  TYR  53           HB2      TYR  53   0.072   3.462  -5.260
  391    HB3  TYR  53           HB1      TYR  53  -0.073   2.509  -6.739
  392    H    ASP  54           HN       ASP  54  -1.549   0.518  -7.250
  393    HA   ASP  54           HA       ASP  54  -3.883   1.182  -8.621
  394    HB2  ASP  54           HB2      ASP  54  -2.265  -0.198  -9.707
  395    HB3  ASP  54           HB1      ASP  54  -2.344  -1.413  -8.435
  396    H    PHE  55           HN       PHE  55  -3.332  -1.119  -6.023
  397    HA   PHE  55           HA       PHE  55  -5.853  -2.218  -5.726
  398    HD1  PHE  55           HD1      PHE  55  -6.032  -4.318  -3.531
  399    HD2  PHE  55           HD2      PHE  55  -4.867  -0.565  -1.910
  400    HE1  PHE  55           HE1      PHE  55  -7.418  -4.754  -1.552
  401    HE2  PHE  55           HE2      PHE  55  -6.258  -0.987   0.057
  402    HZ   PHE  55           HZ       PHE  55  -7.520  -3.126   0.257
  403    HB2  PHE  55           HB2      PHE  55  -4.102  -3.079  -4.393
  404    HB3  PHE  55           HB1      PHE  55  -3.691  -1.493  -3.757
  405    H    ILE  56           HN       ILE  56  -4.555   0.672  -4.114
  406    HA   ILE  56           HA       ILE  56  -6.882   1.381  -2.742
  407    HB   ILE  56           HB       ILE  56  -4.657   3.175  -3.719
  408   HG12  ILE  56          HG12      ILE  56  -5.049   1.767  -1.068
  409   HG13  ILE  56          HG11      ILE  56  -3.893   1.298  -2.310
  410   HG21  ILE  56          HG21      ILE  56  -6.690   3.628  -1.540
  411   HG22  ILE  56          HG22      ILE  56  -6.645   4.447  -3.101
  412   HG23  ILE  56          HG23      ILE  56  -5.341   4.691  -1.939
  413   HD11  ILE  56          HD11      ILE  56  -2.719   3.410  -2.023
  414   HD12  ILE  56          HD12      ILE  56  -2.825   2.520  -0.503
  415   HD13  ILE  56          HD13      ILE  56  -3.889   3.896  -0.795
  416    H    GLU  57           HN       GLU  57  -5.783   2.173  -5.973
  417    HA   GLU  57           HA       GLU  57  -7.792   4.157  -6.457
  418    HB2  GLU  57           HB2      GLU  57  -5.550   4.096  -7.575
  419    HB3  GLU  57           HB1      GLU  57  -6.081   2.676  -8.464
  420    HG2  GLU  57           HG2      GLU  57  -7.749   3.918  -9.612
  421    HG3  GLU  57           HG1      GLU  57  -7.496   5.324  -8.578
  422    H    ASP  58           HN       ASP  58  -7.600   0.724  -6.726
  423    HA   ASP  58           HA       ASP  58  -9.580   0.285  -8.686
  424    HB2  ASP  58           HB2      ASP  58  -7.958  -1.441  -7.864
  425    HB3  ASP  58           HB1      ASP  58  -8.891  -1.538  -6.377
  426    H    GLN  59           HN       GLN  59  -9.766   0.682  -5.169
  427    HA   GLN  59           HA       GLN  59 -12.628   0.195  -5.222
  428    HB2  GLN  59           HB2      GLN  59 -10.732   0.851  -2.979
  429    HB3  GLN  59           HB1      GLN  59 -12.475   0.846  -2.746
  430    HG2  GLN  59           HG2      GLN  59 -11.946  -1.270  -2.080
  431    HG3  GLN  59           HG1      GLN  59 -12.313  -1.547  -3.781
  432   HE21  GLN  59          HE21      GLN  59  -9.420  -0.035  -2.542
  433   HE22  GLN  59          HE22      GLN  59  -8.326  -1.267  -3.054
  434    H    GLY  60           HN       GLY  60 -10.847   2.766  -6.123
  435    HA2  GLY  60           HA2      GLY  60 -12.308   4.587  -6.953
  436    HA3  GLY  60           HA1      GLY  60 -13.043   4.590  -5.360
  437    H    GLY  61           HN       GLY  61 -10.327   4.289  -4.077
  438    HA2  GLY  61           HA2      GLY  61  -8.404   6.018  -4.615
  439    HA3  GLY  61           HA1      GLY  61  -9.691   7.138  -4.204
  440    H    LEU  62           HN       LEU  62  -8.157   7.843  -2.570
  441    HA   LEU  62           HA       LEU  62  -7.196   6.096  -0.554
  442    HG   LEU  62           HG       LEU  62  -5.873   8.246  -2.305
  443    HB2  LEU  62           HB2      LEU  62  -7.451   9.098  -0.611
  444    HB3  LEU  62           HB1      LEU  62  -6.593   8.204   0.629
  445   HD11  LEU  62          HD11      LEU  62  -3.917   9.518  -1.568
  446   HD12  LEU  62          HD12      LEU  62  -4.562   9.550   0.075
  447   HD13  LEU  62          HD13      LEU  62  -5.422  10.376  -1.226
  448   HD21  LEU  62          HD21      LEU  62  -4.458   7.013   0.055
  449   HD22  LEU  62          HD22      LEU  62  -3.875   7.043  -1.611
  450   HD23  LEU  62          HD23      LEU  62  -5.328   6.130  -1.199
  451    H    GLU  63           HN       GLU  63  -9.772   8.540  -0.542
  452    HA   GLU  63           HA       GLU  63 -10.618   8.128   2.103
  453    HB2  GLU  63           HB2      GLU  63 -12.315   8.986  -0.249
  454    HB3  GLU  63           HB1      GLU  63 -12.665   9.266   1.450
  455    HG2  GLU  63           HG2      GLU  63 -10.366  10.428  -0.103
  456    HG3  GLU  63           HG1      GLU  63 -11.833  11.274   0.381
  457    H    ALA  64           HN       ALA  64 -11.288   6.431  -0.854
  458    HA   ALA  64           HA       ALA  64 -13.665   5.140  -0.073
  459    HB1  ALA  64           HB1      ALA  64 -11.639   4.210  -2.094
  460    HB2  ALA  64           HB2      ALA  64 -12.927   5.373  -2.408
  461    HB3  ALA  64           HB3      ALA  64 -13.326   3.707  -1.980
  462    H    VAL  65           HN       VAL  65 -10.274   3.990  -0.059
  463    HA   VAL  65           HA       VAL  65 -11.006   1.462   1.051
  464    HB   VAL  65           HB       VAL  65  -8.704   0.942   1.214
  465   HG11  VAL  65          HG11      VAL  65  -7.876   1.436  -1.014
  466   HG12  VAL  65          HG12      VAL  65  -9.068   2.726  -1.187
  467   HG13  VAL  65          HG13      VAL  65  -9.595   1.047  -1.056
  468   HG21  VAL  65          HG21      VAL  65  -7.818   2.818   2.362
  469   HG22  VAL  65          HG22      VAL  65  -8.189   3.899   1.019
  470   HG23  VAL  65          HG23      VAL  65  -6.931   2.674   0.843
  471    H    ARG  66           HN       ARG  66 -10.172   4.566   2.372
  472    HA   ARG  66           HA       ARG  66  -9.719   3.732   5.037
  473    HE   ARG  66           HE       ARG  66  -6.366   7.341   5.233
  474    HB2  ARG  66           HB2      ARG  66 -10.630   6.341   3.840
  475    HB3  ARG  66           HB1      ARG  66 -10.435   6.129   5.576
  476    HG2  ARG  66           HG2      ARG  66  -8.089   5.600   5.274
  477    HG3  ARG  66           HG1      ARG  66  -8.267   5.731   3.523
  478    HD2  ARG  66           HD2      ARG  66  -8.774   8.076   3.702
  479    HD3  ARG  66           HD1      ARG  66  -8.797   7.976   5.463
  480   HH11  ARG  66          HH11      ARG  66  -8.002   9.411   2.927
  481   HH12  ARG  66          HH12      ARG  66  -6.540  10.204   2.428
  482   HH21  ARG  66          HH21      ARG  66  -4.456   8.396   4.602
  483   HH22  ARG  66          HH22      ARG  66  -4.525   9.635   3.370
  484    H    GLN  67           HN       GLN  67 -12.605   4.488   3.189
  485    HA   GLN  67           HA       GLN  67 -14.403   4.351   5.380
  486    HB2  GLN  67           HB2      GLN  67 -14.879   3.989   2.425
  487    HB3  GLN  67           HB1      GLN  67 -16.150   4.087   3.639
  488    HG2  GLN  67           HG2      GLN  67 -14.144   6.227   2.988
  489    HG3  GLN  67           HG1      GLN  67 -15.852   6.223   2.546
  490   HE21  GLN  67          HE21      GLN  67 -17.392   6.632   4.118
  491   HE22  GLN  67          HE22      GLN  67 -16.990   7.304   5.665
  492    H    GLU  68           HN       GLU  68 -13.084   1.973   3.139
  493    HA   GLU  68           HA       GLU  68 -14.747  -0.192   3.770
  494    HB2  GLU  68           HB2      GLU  68 -11.794  -0.503   3.236
  495    HB3  GLU  68           HB1      GLU  68 -13.088  -1.635   2.873
  496    HG2  GLU  68           HG2      GLU  68 -13.820   0.545   1.412
  497    HG3  GLU  68           HG1      GLU  68 -12.056   0.617   1.342
  498    H    MET  69           HN       MET  69 -12.064   1.234   5.483
  499    HA   MET  69           HA       MET  69 -11.412  -0.793   7.282
  500    HB2  MET  69           HB2      MET  69 -11.341   2.195   7.474
  501    HB3  MET  69           HB1      MET  69 -10.931   1.206   8.865
  502    HG2  MET  69           HG2      MET  69  -9.231   0.061   7.447
  503    HG3  MET  69           HG1      MET  69  -9.564   1.254   6.194
  504    HE1  MET  69           HE1      MET  69  -6.936   0.412   7.576
  505    HE2  MET  69           HE2      MET  69  -6.051   1.860   8.091
  506    HE3  MET  69           HE3      MET  69  -6.703   1.750   6.447
  507    H    ARG  70           HN       ARG  70 -14.074   1.498   7.269
  508    HA   ARG  70           HA       ARG  70 -15.072   0.389   9.805
  509    HE   ARG  70           HE       ARG  70 -13.399   5.493  10.250
  510    HB2  ARG  70           HB2      ARG  70 -15.863   2.947   8.394
  511    HB3  ARG  70           HB1      ARG  70 -16.489   2.390   9.931
  512    HG2  ARG  70           HG2      ARG  70 -14.970   3.985  10.576
  513    HG3  ARG  70           HG1      ARG  70 -14.022   2.504  10.703
  514    HD2  ARG  70           HD2      ARG  70 -12.715   3.024   8.896
  515    HD3  ARG  70           HD1      ARG  70 -13.973   3.987   8.125
  516   HH11  ARG  70          HH11      ARG  70 -11.244   3.927   7.964
  517   HH12  ARG  70          HH12      ARG  70 -10.039   5.172   8.072
  518   HH21  ARG  70          HH21      ARG  70 -11.818   7.139  10.345
  519   HH22  ARG  70          HH22      ARG  70 -10.354   6.964   9.415
  520    H    ARG  71           HN       ARG  71 -15.321  -0.566   6.854
  521    HA   ARG  71           HA       ARG  71 -18.239  -0.821   6.857
  522    HE   ARG  71           HE       ARG  71 -17.911   1.197   2.097
  523    HB2  ARG  71           HB2      ARG  71 -17.747   1.172   5.541
  524    HB3  ARG  71           HB1      ARG  71 -16.648   0.251   4.524
  525    HG2  ARG  71           HG2      ARG  71 -19.338  -0.870   4.682
  526    HG3  ARG  71           HG1      ARG  71 -19.274   0.747   3.978
  527    HD2  ARG  71           HD2      ARG  71 -17.467  -1.496   3.114
  528    HD3  ARG  71           HD1      ARG  71 -19.032  -1.181   2.356
  529   HH11  ARG  71          HH11      ARG  71 -16.553  -1.998   1.594
  530   HH12  ARG  71          HH12      ARG  71 -15.379  -1.448   0.419
  531   HH21  ARG  71          HH21      ARG  71 -16.392   1.910   0.516
  532   HH22  ARG  71          HH22      ARG  71 -15.315   0.750  -0.203
  533    H    GLN  72           HN       GLN  72 -15.473  -1.608   4.787
  534    HA   GLN  72           HA       GLN  72 -14.902  -3.437   3.588
  535    HB2  GLN  72           HB2      GLN  72 -14.752  -4.289   5.998
  536    HB3  GLN  72           HB1      GLN  72 -16.289  -5.083   5.702
  537    HG2  GLN  72           HG2      GLN  72 -13.977  -5.565   3.871
  538    HG3  GLN  72           HG1      GLN  72 -14.067  -6.395   5.420
  539   HE21  GLN  72          HE21      GLN  72 -15.744  -7.870   5.781
  540   HE22  GLN  72          HE22      GLN  72 -16.626  -8.582   4.475
  541    H1   GLY  73           HT1      GLY  73  -3.612 -12.966   7.326
  542    H2   GLY  73           HT2      GLY  73  -3.166 -13.221   5.713
  543    H3   GLY  73           HT3      GLY  73  -2.699 -14.328   6.903
  544    HA2  GLY  73           HA1      GLY  73  -4.532 -15.231   5.647
  545    HA3  GLY  73           HA2      GLY  73  -5.026 -14.897   7.303
  546    H    HIS  74           HN       HIS  74  -6.455 -14.965   4.598
  547    HA   HIS  74           HA       HIS  74  -7.107 -12.256   3.974
  548    HD1  HIS  74           HD1      HIS  74 -10.650 -14.304   1.964
  549    HD2  HIS  74           HD2      HIS  74  -7.950 -11.143   1.654
  550    HE1  HIS  74           HE1      HIS  74 -11.817 -12.544   0.599
  551    HE2  HIS  74           HE2      HIS  74 -10.111 -10.717   0.281
  552    HB2  HIS  74           HB2      HIS  74  -7.168 -14.083   2.301
  553    HB3  HIS  74           HB1      HIS  74  -8.539 -14.792   3.147
  554    H    MET  75           HN       MET  75  -8.080 -14.206   6.503
  555    HA   MET  75           HA       MET  75 -10.805 -13.299   6.674
  556    HB2  MET  75           HB2      MET  75 -10.070 -15.474   7.605
  557    HB3  MET  75           HB1      MET  75  -9.098 -14.612   8.792
  558    HG2  MET  75           HG2      MET  75 -11.105 -13.608   9.725
  559    HG3  MET  75           HG1      MET  75 -12.090 -14.440   8.522
  560    HE1  MET  75           HE1      MET  75 -12.363 -17.116   8.428
  561    HE2  MET  75           HE2      MET  75 -11.525 -18.204   9.535
  562    HE3  MET  75           HE3      MET  75 -10.606 -17.265   8.361
  563    H    LEU  76           HN       LEU  76 -10.011 -11.015   6.369
  564    HA   LEU  76           HA       LEU  76  -9.636  -9.794   9.024
  565    HG   LEU  76           HG       LEU  76  -7.031 -10.221   7.240
  566    HB2  LEU  76           HB2      LEU  76  -8.712  -8.775   6.329
  567    HB3  LEU  76           HB1      LEU  76  -8.736  -7.796   7.787
  568   HD11  LEU  76          HD11      LEU  76  -5.206  -8.656   7.626
  569   HD12  LEU  76          HD12      LEU  76  -6.367  -7.358   7.903
  570   HD13  LEU  76          HD13      LEU  76  -6.247  -8.108   6.312
  571   HD21  LEU  76          HD21      LEU  76  -6.134  -9.943   9.500
  572   HD22  LEU  76          HD22      LEU  76  -7.846 -10.362   9.535
  573   HD23  LEU  76          HD23      LEU  76  -7.340  -8.698   9.831
  574    HA   PRO  77           HA       PRO  77 -13.581  -8.092   8.317
  575    HB2  PRO  77           HB2      PRO  77 -13.746  -6.410  10.370
  576    HB3  PRO  77           HB1      PRO  77 -13.542  -8.146  10.634
  577    HG2  PRO  77           HG2      PRO  77 -11.532  -5.951  10.815
  578    HG3  PRO  77           HG1      PRO  77 -11.704  -7.401  11.818
  579    HD2  PRO  77           HD2      PRO  77  -9.922  -7.075   9.675
  580    HD3  PRO  77           HD1      PRO  77 -10.371  -8.615  10.440
  581    H    ASP  78           HN       ASP  78 -11.049  -6.441   7.214
  582    HA   ASP  78           HA       ASP  78 -12.669  -4.140   6.460
  583    HB2  ASP  78           HB2      ASP  78 -11.039  -2.507   7.098
  584    HB3  ASP  78           HB1      ASP  78 -11.337  -3.521   8.504
  585    H    VAL  79           HN       VAL  79 -10.788  -2.672   5.172
  586    HA   VAL  79           HA       VAL  79 -10.644  -3.916   2.672
  587    HB   VAL  79           HB       VAL  79 -10.777  -1.560   2.723
  588   HG11  VAL  79          HG11      VAL  79  -9.125  -0.104   3.727
  589   HG12  VAL  79          HG12      VAL  79  -8.211  -1.504   4.283
  590   HG13  VAL  79          HG13      VAL  79  -9.823  -1.189   4.928
  591   HG21  VAL  79          HG21      VAL  79  -8.810  -0.774   1.459
  592   HG22  VAL  79          HG22      VAL  79  -9.443  -2.310   0.860
  593   HG23  VAL  79          HG23      VAL  79  -7.984  -2.284   1.852
  594    H    ALA  80           HN       ALA  80  -8.522  -4.210   5.341
  595    HA   ALA  80           HA       ALA  80  -6.053  -4.482   4.038
  596    HB1  ALA  80           HB1      ALA  80  -5.983  -4.128   6.322
  597    HB2  ALA  80           HB2      ALA  80  -5.428  -5.791   6.120
  598    HB3  ALA  80           HB3      ALA  80  -7.075  -5.470   6.670
  599    H    GLN  81           HN       GLN  81  -8.644  -6.821   4.559
  600    HA   GLN  81           HA       GLN  81  -7.140  -9.116   3.825
  601    HB2  GLN  81           HB2      GLN  81  -9.274 -10.233   3.505
  602    HB3  GLN  81           HB1      GLN  81  -9.384  -9.221   4.938
  603    HG2  GLN  81           HG2      GLN  81 -10.789  -7.689   3.910
  604    HG3  GLN  81           HG1      GLN  81 -10.314  -8.188   2.290
  605   HE21  GLN  81          HE21      GLN  81 -11.181 -10.416   4.843
  606   HE22  GLN  81          HE22      GLN  81 -12.657 -10.953   4.131
  607    H    ARG  82           HN       ARG  82  -8.861  -6.663   2.080
  608    HA   ARG  82           HA       ARG  82  -9.055  -7.870  -0.432
  609    HE   ARG  82           HE       ARG  82 -11.722  -3.870  -1.040
  610    HB2  ARG  82           HB2      ARG  82 -10.308  -5.865   0.437
  611    HB3  ARG  82           HB1      ARG  82  -8.845  -4.920   0.218
  612    HG2  ARG  82           HG2      ARG  82  -9.614  -4.462  -1.811
  613    HG3  ARG  82           HG1      ARG  82  -9.212  -6.133  -2.213
  614    HD2  ARG  82           HD2      ARG  82 -11.458  -5.812  -2.876
  615    HD3  ARG  82           HD1      ARG  82 -11.516  -6.744  -1.379
  616   HH11  ARG  82          HH11      ARG  82 -13.444  -6.882  -1.450
  617   HH12  ARG  82          HH12      ARG  82 -14.937  -6.271  -0.809
  618   HH21  ARG  82          HH21      ARG  82 -13.684  -3.033  -0.241
  619   HH22  ARG  82          HH22      ARG  82 -15.081  -4.071  -0.144
  620    H    LEU  83           HN       LEU  83  -6.415  -6.441   1.252
  621    HA   LEU  83           HA       LEU  83  -4.914  -5.757  -1.127
  622    HG   LEU  83           HG       LEU  83  -4.728  -3.471  -0.090
  623    HB2  LEU  83           HB2      LEU  83  -4.716  -5.179   1.691
  624    HB3  LEU  83           HB1      LEU  83  -3.177  -5.759   1.082
  625   HD11  LEU  83          HD11      LEU  83  -2.235  -3.369   1.572
  626   HD12  LEU  83          HD12      LEU  83  -3.854  -2.981   2.156
  627   HD13  LEU  83          HD13      LEU  83  -3.115  -2.002   0.886
  628   HD21  LEU  83          HD21      LEU  83  -1.953  -4.474  -0.673
  629   HD22  LEU  83          HD22      LEU  83  -2.690  -3.029  -1.365
  630   HD23  LEU  83          HD23      LEU  83  -3.353  -4.620  -1.737
  631    H    MET  84           HN       MET  84  -4.981  -8.310   1.284
  632    HA   MET  84           HA       MET  84  -2.526  -9.508   0.659
  633    HB2  MET  84           HB2      MET  84  -5.061 -10.815   1.659
  634    HB3  MET  84           HB1      MET  84  -3.469 -11.560   1.666
  635    HG2  MET  84           HG2      MET  84  -2.690  -9.690   3.114
  636    HG3  MET  84           HG1      MET  84  -4.366  -9.154   3.220
  637    HE1  MET  84           HE1      MET  84  -2.708  -9.732   5.821
  638    HE2  MET  84           HE2      MET  84  -3.903 -10.636   6.751
  639    HE3  MET  84           HE3      MET  84  -4.404  -9.250   5.778
  640    H    GLN  85           HN       GLN  85  -5.700  -9.812  -0.803
  641    HA   GLN  85           HA       GLN  85  -5.013 -11.992  -2.500
  642    HB2  GLN  85           HB2      GLN  85  -7.191  -9.915  -2.793
  643    HB3  GLN  85           HB1      GLN  85  -7.063 -11.389  -3.742
  644    HG2  GLN  85           HG2      GLN  85  -7.550 -11.181  -0.782
  645    HG3  GLN  85           HG1      GLN  85  -8.706 -11.665  -2.019
  646   HE21  GLN  85          HE21      GLN  85  -8.458 -13.687  -3.034
  647   HE22  GLN  85          HE22      GLN  85  -7.541 -14.952  -2.284
  648    H    HIS  86           HN       HIS  86  -4.865  -8.483  -2.803
  649    HA   HIS  86           HA       HIS  86  -4.634  -8.558  -5.649
  650    HD1  HIS  86           HD1      HIS  86  -5.816  -7.241  -7.096
  651    HD2  HIS  86           HD2      HIS  86  -3.396  -4.162  -5.682
  652    HE1  HIS  86           HE1      HIS  86  -5.560  -5.642  -9.021
  653    HE2  HIS  86           HE2      HIS  86  -4.235  -3.707  -8.104
  654    HB2  HIS  86           HB2      HIS  86  -5.605  -6.661  -4.224
  655    HB3  HIS  86           HB1      HIS  86  -3.933  -6.173  -3.960
  656    H    LEU  87           HN       LEU  87  -2.277  -8.435  -3.021
  657    HA   LEU  87           HA       LEU  87  -0.107  -7.976  -4.877
  658    HG   LEU  87           HG       LEU  87   1.509  -6.604  -2.163
  659    HB2  LEU  87           HB2      LEU  87  -0.119  -8.794  -1.975
  660    HB3  LEU  87           HB1      LEU  87   1.351  -8.684  -2.919
  661   HD11  LEU  87          HD11      LEU  87   0.708  -6.196  -4.486
  662   HD12  LEU  87          HD12      LEU  87   0.422  -4.867  -3.363
  663   HD13  LEU  87          HD13      LEU  87  -0.909  -5.933  -3.824
  664   HD21  LEU  87          HD21      LEU  87  -0.237  -5.416  -0.970
  665   HD22  LEU  87          HD22      LEU  87  -0.088  -7.082  -0.398
  666   HD23  LEU  87          HD23      LEU  87  -1.417  -6.634  -1.468
  667    H    ALA  88           HN       ALA  88  -1.617 -10.706  -3.286
  668    HA   ALA  88           HA       ALA  88   0.338 -12.640  -3.985
  669    HB1  ALA  88           HB1      ALA  88  -2.568 -13.048  -3.292
  670    HB2  ALA  88           HB2      ALA  88  -1.234 -12.961  -2.139
  671    HB3  ALA  88           HB3      ALA  88  -1.314 -14.289  -3.297
  672    H    GLU  89           HN       GLU  89  -2.489 -11.388  -5.624
  673    HA   GLU  89           HA       GLU  89  -2.678 -13.511  -7.522
  674    HB2  GLU  89           HB2      GLU  89  -4.310 -12.125  -8.641
  675    HB3  GLU  89           HB1      GLU  89  -4.588 -12.107  -6.907
  676    HG2  GLU  89           HG2      GLU  89  -3.648  -9.924  -6.700
  677    HG3  GLU  89           HG1      GLU  89  -3.108  -9.944  -8.378
  678    H    HIS  90           HN       HIS  90  -0.301 -11.285  -7.194
  679    HA   HIS  90           HA       HIS  90   0.154 -11.248 -10.099
  680    HD1  HIS  90           HD1      HIS  90   0.031  -9.027 -11.851
  681    HD2  HIS  90           HD2      HIS  90  -1.888  -7.996  -8.305
  682    HE1  HIS  90           HE1      HIS  90  -2.062  -7.817 -12.537
  683    HE2  HIS  90           HE2      HIS  90  -3.332  -7.485 -10.396
  684    HB2  HIS  90           HB2      HIS  90   0.636  -9.059  -8.110
  685    HB3  HIS  90           HB1      HIS  90   1.532  -9.124  -9.625
  686    H    GLY  91           HN       GLY  91   2.064 -10.682  -7.119
  687    HA2  GLY  91           HA2      GLY  91   3.706 -12.757  -6.970
  688    HA3  GLY  91           HA1      GLY  91   4.328 -11.995  -8.424
  689    H    ILE  92           HN       ILE  92   3.043 -10.213  -5.717
  690    HA   ILE  92           HA       ILE  92   5.225  -8.504  -5.448
  691    HB   ILE  92           HB       ILE  92   2.817  -9.157  -3.820
  692   HG12  ILE  92          HG12      ILE  92   2.521  -6.661  -4.131
  693   HG13  ILE  92          HG11      ILE  92   3.960  -6.713  -5.140
  694   HG21  ILE  92          HG21      ILE  92   5.009  -7.364  -2.790
  695   HG22  ILE  92          HG22      ILE  92   4.546  -8.924  -2.112
  696   HG23  ILE  92          HG23      ILE  92   3.411  -7.578  -2.076
  697   HD11  ILE  92          HD11      ILE  92   1.381  -8.158  -5.648
  698   HD12  ILE  92          HD12      ILE  92   2.840  -8.298  -6.629
  699   HD13  ILE  92          HD13      ILE  92   2.001  -6.751  -6.516
  700    H    GLN  93           HN       GLN  93   6.919  -8.389  -4.022
  701    HA   GLN  93           HA       GLN  93   7.889 -10.934  -3.040
  702    HB2  GLN  93           HB2      GLN  93   9.191  -8.926  -4.183
  703    HB3  GLN  93           HB1      GLN  93   9.316  -8.360  -2.523
  704    HG2  GLN  93           HG2      GLN  93  11.278  -9.639  -3.167
  705    HG3  GLN  93           HG1      GLN  93  10.390 -10.447  -1.875
  706   HE21  GLN  93          HE21      GLN  93   9.308 -10.442  -5.190
  707   HE22  GLN  93          HE22      GLN  93   9.604 -12.120  -5.501
  708    HA   PRO  94           HA       PRO  94   6.100 -10.475   0.991
  709    HB2  PRO  94           HB2      PRO  94   8.208 -12.387   1.777
  710    HB3  PRO  94           HB1      PRO  94   6.453 -12.531   1.902
  711    HG2  PRO  94           HG2      PRO  94   7.844 -13.926   0.089
  712    HG3  PRO  94           HG1      PRO  94   6.224 -13.297  -0.261
  713    HD2  PRO  94           HD2      PRO  94   8.888 -12.267  -1.138
  714    HD3  PRO  94           HD1      PRO  94   7.354 -12.335  -2.025
  715    H    ALA  95           HN       ALA  95   6.650  -9.809   3.110
  716    HA   ALA  95           HA       ALA  95   8.758  -7.898   3.245
  717    HB1  ALA  95           HB1      ALA  95   6.641  -7.552   4.406
  718    HB2  ALA  95           HB2      ALA  95   7.994  -7.525   5.539
  719    HB3  ALA  95           HB3      ALA  95   6.963  -8.952   5.428
  720    H    ARG  96           HN       ARG  96  10.596  -9.157   2.857
  721    HA   ARG  96           HA       ARG  96  11.747 -10.356   5.215
  722    HE   ARG  96           HE       ARG  96  14.771 -13.541   5.029
  723    HB2  ARG  96           HB2      ARG  96  10.505 -12.259   4.419
  724    HB3  ARG  96           HB1      ARG  96  11.126 -12.040   2.790
  725    HG2  ARG  96           HG2      ARG  96  12.242 -13.875   3.862
  726    HG3  ARG  96           HG1      ARG  96  13.371 -12.548   3.593
  727    HD2  ARG  96           HD2      ARG  96  12.868 -11.862   6.002
  728    HD3  ARG  96           HD1      ARG  96  12.152 -13.468   6.175
  729   HH11  ARG  96          HH11      ARG  96  13.021 -13.411   8.063
  730   HH12  ARG  96          HH12      ARG  96  14.346 -14.047   8.992
  731   HH21  ARG  96          HH21      ARG  96  16.487 -14.400   6.232
  732   HH22  ARG  96          HH22      ARG  96  16.315 -14.631   7.950
  733    H    ASN  97           HN       ASN  97  12.497 -10.990   1.818
  734    HA   ASN  97           HA       ASN  97  14.355  -8.923   1.451
  735    HB2  ASN  97           HB2      ASN  97  16.474 -10.188   1.500
  736    HB3  ASN  97           HB1      ASN  97  15.743 -10.083   3.093
  737   HD21  ASN  97          HD21      ASN  97  16.683 -12.169   0.500
  738   HD22  ASN  97          HD22      ASN  97  16.382 -13.663   1.327
  739    H    MET  98           HN       MET  98  16.094 -10.008  -0.364
  740    HA   MET  98           HA       MET  98  16.252 -10.607  -2.542
  741    HB2  MET  98           HB2      MET  98  15.473 -12.816  -1.600
  742    HB3  MET  98           HB1      MET  98  13.840 -12.367  -2.067
  743    HG2  MET  98           HG2      MET  98  14.524 -12.270  -4.401
  744    HG3  MET  98           HG1      MET  98  16.174 -12.686  -3.942
  745    HE1  MET  98           HE1      MET  98  14.790 -15.896  -5.782
  746    HE2  MET  98           HE2      MET  98  16.022 -14.633  -5.798
  747    HE3  MET  98           HE3      MET  98  14.338 -14.226  -6.132
  748    H    ALA  99           HN       ALA  99  14.676  -8.356  -1.699
  749    HA   ALA  99           HA       ALA  99  12.538  -8.190  -3.673
  750    HB1  ALA  99           HB1      ALA  99  12.072  -7.362  -1.428
  751    HB2  ALA  99           HB2      ALA  99  11.996  -6.053  -2.608
  752    HB3  ALA  99           HB3      ALA  99  13.407  -6.218  -1.562
  753    H    GLU 100           HN       GLU 100  12.473  -5.884  -4.793
  754    HA   GLU 100           HA       GLU 100  14.815  -5.834  -6.437
  755    HB2  GLU 100           HB2      GLU 100  12.596  -5.364  -7.384
  756    HB3  GLU 100           HB1      GLU 100  12.477  -3.919  -6.389
  757    HG2  GLU 100           HG2      GLU 100  14.452  -2.997  -7.532
  758    HG3  GLU 100           HG1      GLU 100  14.489  -4.420  -8.571
  759    H    HIS 101           HN       HIS 101  13.322  -3.447  -4.276
  760    HA   HIS 101           HA       HIS 101  15.411  -1.548  -4.630
  761    HD1  HIS 101           HD1      HIS 101  12.081  -3.301  -2.599
  762    HD2  HIS 101           HD2      HIS 101  13.945  -0.292  -0.406
  763    HE1  HIS 101           HE1      HIS 101  11.346  -3.634  -0.215
  764    HE2  HIS 101           HE2      HIS 101  12.242  -1.625   0.997
  765    HB2  HIS 101           HB2      HIS 101  14.255  -0.190  -3.069
  766    HB3  HIS 101           HB1      HIS 101  13.010  -1.054  -3.958
  767    H    ILE 102           HN       ILE 102  17.048  -0.928  -3.220
  768    HA   ILE 102           HA       ILE 102  17.837  -3.041  -1.318
  769    HB   ILE 102           HB       ILE 102  20.173  -2.377  -1.752
  770   HG12  ILE 102          HG12      ILE 102  19.017  -0.675  -3.975
  771   HG13  ILE 102          HG11      ILE 102  19.680  -0.042  -2.472
  772   HG21  ILE 102          HG21      ILE 102  20.363  -3.413  -3.950
  773   HG22  ILE 102          HG22      ILE 102  18.645  -3.135  -4.240
  774   HG23  ILE 102          HG23      ILE 102  19.156  -4.243  -2.965
  775   HD11  ILE 102          HD11      ILE 102  21.185  -1.577  -4.573
  776   HD12  ILE 102          HD12      ILE 102  21.861  -0.997  -3.051
  777   HD13  ILE 102          HD13      ILE 102  21.289   0.155  -4.258
  778    HA   PRO 103           HA       PRO 103  18.054   0.038   1.888
  779    HB2  PRO 103           HB2      PRO 103  20.221  -1.479   3.122
  780    HB3  PRO 103           HB1      PRO 103  18.562  -1.264   3.681
  781    HG2  PRO 103           HG2      PRO 103  19.517  -3.628   2.771
  782    HG3  PRO 103           HG1      PRO 103  17.822  -3.145   2.598
  783    HD2  PRO 103           HD2      PRO 103  20.030  -3.072   0.577
  784    HD3  PRO 103           HD1      PRO 103  18.330  -3.546   0.370
  785    HA   PRO 104           HA       PRO 104  21.396   2.646   0.507
  786    HB2  PRO 104           HB2      PRO 104  20.812   4.150   2.985
  787    HB3  PRO 104           HB1      PRO 104  20.790   4.697   1.306
  788    HG2  PRO 104           HG2      PRO 104  18.523   4.323   2.683
  789    HG3  PRO 104           HG1      PRO 104  18.627   3.947   0.951
  790    HD2  PRO 104           HD2      PRO 104  18.695   2.103   3.305
  791    HD3  PRO 104           HD1      PRO 104  17.907   1.891   1.727
  792    H    ALA 105           HN       ALA 105  23.518   2.549   0.845
  793    HA   ALA 105           HA       ALA 105  24.457   1.494   3.426
  794    HB1  ALA 105           HB1      ALA 105  26.442   0.735   2.209
  795    HB2  ALA 105           HB2      ALA 105  25.800   1.433   0.723
  796    HB3  ALA 105           HB3      ALA 105  24.967   0.084   1.495
  797    HA   PRO 106           HA       PRO 106  26.338   5.497   4.078
  798    HB2  PRO 106           HB2      PRO 106  27.641   4.284   6.386
  799    HB3  PRO 106           HB1      PRO 106  26.385   5.524   6.343
  800    HG2  PRO 106           HG2      PRO 106  25.924   3.008   7.235
  801    HG3  PRO 106           HG1      PRO 106  24.680   3.987   6.441
  802    HD2  PRO 106           HD2      PRO 106  26.373   1.792   5.300
  803    HD3  PRO 106           HD1      PRO 106  24.640   2.113   5.071
  804    H    ASN 107           HN       ASN 107  28.172   6.311   3.297
  805    HA   ASN 107           HA       ASN 107  30.439   4.471   2.894
  806    HB2  ASN 107           HB2      ASN 107  29.370   5.440   0.848
  807    HB3  ASN 107           HB1      ASN 107  29.830   7.042   1.412
  808   HD21  ASN 107          HD21      ASN 107  31.924   7.725   1.178
  809   HD22  ASN 107          HD22      ASN 107  33.141   6.804   0.351
  810    H    TRP 108           HN       TRP 108  32.576   5.244   3.278
  811    HA   TRP 108           HA       TRP 108  32.713   7.076   5.513
  812    HD1  TRP 108           HD1      TRP 108  33.991   5.169   7.795
  813    HE1  TRP 108           HE1      TRP 108  33.258   2.732   8.205
  814    HE3  TRP 108           HE3      TRP 108  33.882   3.530   2.950
  815    HZ2  TRP 108           HZ2      TRP 108  32.699   0.438   6.676
  816    HZ3  TRP 108           HZ3      TRP 108  33.231   1.196   2.512
  817    HH2  TRP 108           HH2      TRP 108  32.653  -0.315   4.342
  818    HB2  TRP 108           HB2      TRP 108  34.936   5.563   4.119
  819    HB3  TRP 108           HB1      TRP 108  35.056   6.388   5.668
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -8.454   0.767 -17.913
    2    H2   GLY   1           HT2      GLY   1  -7.200   1.385 -18.876
    3    H3   GLY   1           HT3      GLY   1  -8.072   2.415 -17.848
    4    HA2  GLY   1           HA1      GLY   1  -6.429   0.149 -16.882
    5    HA3  GLY   1           HA2      GLY   1  -5.826   1.795 -17.015
    6    H    HIS   2           HN       HIS   2  -5.465   1.461 -14.678
    7    HA   HIS   2           HA       HIS   2  -7.851   1.640 -13.031
    8    HD1  HIS   2           HD1      HIS   2  -3.770  -0.370 -11.778
    9    HD2  HIS   2           HD2      HIS   2  -4.107   3.616 -12.926
   10    HE1  HIS   2           HE1      HIS   2  -1.425   0.411 -12.257
   11    HE2  HIS   2           HE2      HIS   2  -1.637   2.867 -12.779
   12    HB2  HIS   2           HB2      HIS   2  -6.184   1.825 -11.130
   13    HB3  HIS   2           HB1      HIS   2  -6.146   0.325 -12.043
   14    H    MET   3           HN       MET   3  -8.412   3.661 -14.307
   15    HA   MET   3           HA       MET   3  -7.609   5.948 -12.725
   16    HB2  MET   3           HB2      MET   3  -5.885   5.942 -14.444
   17    HB3  MET   3           HB1      MET   3  -7.108   5.868 -15.705
   18    HG2  MET   3           HG2      MET   3  -7.893   8.070 -15.153
   19    HG3  MET   3           HG1      MET   3  -6.825   8.142 -13.753
   20    HE1  MET   3           HE1      MET   3  -4.121   6.893 -14.868
   21    HE2  MET   3           HE2      MET   3  -4.222   8.352 -13.880
   22    HE3  MET   3           HE3      MET   3  -3.294   8.365 -15.381
   23    H    SER   4           HN       SER   4  -9.707   6.196 -12.065
   24    HA   SER   4           HA       SER   4 -11.330   7.607 -14.018
   25    HG   SER   4           HG       SER   4 -11.676   4.376 -12.350
   26    HB2  SER   4           HB2      SER   4 -13.401   6.399 -13.310
   27    HB3  SER   4           HB1      SER   4 -12.264   5.394 -14.206
   28    H    GLY   5           HN       GLY   5 -10.655   6.731 -10.682
   29    HA2  GLY   5           HA2      GLY   5 -12.030   9.219  -9.860
   30    HA3  GLY   5           HA1      GLY   5 -12.007   7.767  -8.871
   31    H    PHE   6           HN       PHE   6  -9.678   9.903 -10.531
   32    HA   PHE   6           HA       PHE   6  -7.833   9.500  -8.298
   33    HD1  PHE   6           HD2      PHE   6  -5.150   9.455  -8.417
   34    HD2  PHE   6           HD1      PHE   6  -7.074   8.217 -12.002
   35    HE1  PHE   6           HE2      PHE   6  -3.734   7.448  -8.476
   36    HE2  PHE   6           HE1      PHE   6  -5.655   6.208 -12.070
   37    HZ   PHE   6           HZ       PHE   6  -3.982   5.822 -10.307
   38    HB2  PHE   6           HB2      PHE   6  -7.531  10.310 -11.134
   39    HB3  PHE   6           HB1      PHE   6  -6.421  11.051  -9.986
   40    H    LYS   7           HN       LYS   7  -8.772  10.796  -6.712
   41    HA   LYS   7           HA       LYS   7  -9.162  13.595  -7.077
   42    HB2  LYS   7           HB2      LYS   7  -8.436  12.204  -4.487
   43    HB3  LYS   7           HB1      LYS   7  -9.290  13.729  -4.679
   44    HG2  LYS   7           HG2      LYS   7 -11.167  12.504  -5.724
   45    HG3  LYS   7           HG1      LYS   7 -10.318  10.991  -5.403
   46    HD2  LYS   7           HD2      LYS   7 -10.305  11.624  -2.974
   47    HD3  LYS   7           HD1      LYS   7 -11.358  12.977  -3.388
   48    HE2  LYS   7           HE2      LYS   7 -12.678  11.120  -2.574
   49    HE3  LYS   7           HE1      LYS   7 -13.011  11.387  -4.284
   50    HZ1  LYS   7           HZ1      LYS   7 -11.681   9.528  -4.867
   51    HZ2  LYS   7           HZ2      LYS   7 -12.730   9.017  -3.640
   52    HZ3  LYS   7           HZ3      LYS   7 -11.102   9.346  -3.281
   53    H    HIS   8           HN       HIS   8  -6.629  11.929  -5.185
   54    HA   HIS   8           HA       HIS   8  -4.353  12.073  -5.240
   55    HD1  HIS   8           HD1      HIS   8  -3.057  13.020  -9.503
   56    HD2  HIS   8           HD2      HIS   8  -2.032  10.631  -6.246
   57    HE1  HIS   8           HE1      HIS   8  -0.604  12.538  -9.759
   58    HE2  HIS   8           HE2      HIS   8  -0.045  10.935  -7.900
   59    HB2  HIS   8           HB2      HIS   8  -4.870  10.897  -7.313
   60    HB3  HIS   8           HB1      HIS   8  -5.023  12.424  -8.166
   61    H    VAL   9           HN       VAL   9  -4.587  14.256  -4.082
   62    HA   VAL   9           HA       VAL   9  -3.461  16.368  -5.781
   63    HB   VAL   9           HB       VAL   9  -4.056  17.903  -3.877
   64   HG11  VAL   9          HG11      VAL   9  -6.408  18.054  -4.530
   65   HG12  VAL   9          HG12      VAL   9  -6.312  16.440  -5.236
   66   HG13  VAL   9          HG13      VAL   9  -5.374  17.763  -5.929
   67   HG21  VAL   9          HG21      VAL   9  -5.790  17.160  -2.318
   68   HG22  VAL   9          HG22      VAL   9  -4.295  16.247  -2.110
   69   HG23  VAL   9          HG23      VAL   9  -5.658  15.525  -2.964
   70    H    SER  10           HN       SER  10  -2.997  14.614  -2.750
   71    HA   SER  10           HA       SER  10  -0.521  15.945  -2.143
   72    HG   SER  10           HG       SER  10  -0.231  13.735   0.649
   73    HB2  SER  10           HB2      SER  10  -2.053  14.911  -0.427
   74    HB3  SER  10           HB1      SER  10  -1.571  13.327  -1.038
   75    H    HIS  11           HN       HIS  11  -1.384  13.729  -4.425
   76    HA   HIS  11           HA       HIS  11  -0.318  12.259  -5.780
   77    HD1  HIS  11           HD1      HIS  11   1.710  15.845  -5.128
   78    HD2  HIS  11           HD2      HIS  11   1.250  13.220  -8.318
   79    HE1  HIS  11           HE1      HIS  11   1.315  17.292  -7.151
   80    HE2  HIS  11           HE2      HIS  11   0.872  15.676  -9.032
   81    HB2  HIS  11           HB2      HIS  11   2.163  13.430  -4.513
   82    HB3  HIS  11           HB1      HIS  11   2.199  12.246  -5.816
   83    H    VAL  12           HN       VAL  12  -0.759  11.935  -2.687
   84    HA   VAL  12           HA       VAL  12  -1.038  10.134  -1.348
   85    HB   VAL  12           HB       VAL  12   0.179   8.488  -3.551
   86   HG11  VAL  12          HG11      VAL  12  -0.972   6.607  -2.481
   87   HG12  VAL  12          HG12      VAL  12  -1.505   7.677  -1.184
   88   HG13  VAL  12          HG13      VAL  12   0.213   7.341  -1.402
   89   HG21  VAL  12          HG21      VAL  12  -2.146   7.966  -4.161
   90   HG22  VAL  12          HG22      VAL  12  -1.780   9.683  -4.340
   91   HG23  VAL  12          HG23      VAL  12  -2.704   9.120  -2.948
   92    H    GLY  13           HN       GLY  13   2.100  10.484  -2.871
   93    HA2  GLY  13           HA2      GLY  13   4.102  10.729  -1.599
   94    HA3  GLY  13           HA1      GLY  13   3.364   9.778  -0.314
   95    H    TRP  14           HN       TRP  14   2.767   8.585  -3.399
   96    HA   TRP  14           HA       TRP  14   4.588   6.357  -2.932
   97    HD1  TRP  14           HD1      TRP  14   3.989   3.490  -3.544
   98    HE1  TRP  14           HE1      TRP  14   4.512   2.024  -5.597
   99    HE3  TRP  14           HE3      TRP  14   2.428   6.671  -7.220
  100    HZ2  TRP  14           HZ2      TRP  14   4.282   2.197  -8.404
  101    HZ3  TRP  14           HZ3      TRP  14   2.611   5.947  -9.566
  102    HH2  TRP  14           HH2      TRP  14   3.520   3.756 -10.142
  103    HB2  TRP  14           HB2      TRP  14   2.320   5.679  -3.325
  104    HB3  TRP  14           HB1      TRP  14   2.206   6.691  -4.763
  105    H    ASP  15           HN       ASP  15   6.401   6.177  -3.995
  106    HA   ASP  15           HA       ASP  15   6.741   7.620  -6.541
  107    HB2  ASP  15           HB2      ASP  15   8.365   8.239  -4.806
  108    HB3  ASP  15           HB1      ASP  15   8.821   6.548  -4.609
  109    HA   PRO  16           HA       PRO  16   6.300   3.833  -8.705
  110    HB2  PRO  16           HB2      PRO  16   8.032   4.417 -10.801
  111    HB3  PRO  16           HB1      PRO  16   6.333   4.888 -10.710
  112    HG2  PRO  16           HG2      PRO  16   8.778   6.470 -10.054
  113    HG3  PRO  16           HG1      PRO  16   7.286   6.991 -10.858
  114    HD2  PRO  16           HD2      PRO  16   7.746   7.598  -8.298
  115    HD3  PRO  16           HD1      PRO  16   6.116   7.156  -8.852
  116    H    GLN  17           HN       GLN  17   9.521   4.967  -7.853
  117    HA   GLN  17           HA       GLN  17  10.564   2.254  -8.299
  118    HB2  GLN  17           HB2      GLN  17  12.096   4.804  -7.825
  119    HB3  GLN  17           HB1      GLN  17  12.782   3.228  -8.189
  120    HG2  GLN  17           HG2      GLN  17  11.649   3.270 -10.376
  121    HG3  GLN  17           HG1      GLN  17  11.057   4.889 -10.012
  122   HE21  GLN  17          HE21      GLN  17  12.777   3.993 -12.166
  123   HE22  GLN  17          HE22      GLN  17  14.243   4.896 -12.027
  124    H    ASN  18           HN       ASN  18  10.104   4.718  -5.841
  125    HA   ASN  18           HA       ASN  18  11.617   3.100  -3.923
  126    HB2  ASN  18           HB2      ASN  18  10.650   5.951  -3.775
  127    HB3  ASN  18           HB1      ASN  18  11.497   5.122  -2.472
  128   HD21  ASN  18          HD21      ASN  18  11.764   6.521  -5.641
  129   HD22  ASN  18          HD22      ASN  18  13.497   6.541  -5.697
  130    H    GLY  19           HN       GLY  19   8.417   3.557  -4.805
  131    HA2  GLY  19           HA2      GLY  19   6.563   2.534  -3.875
  132    HA3  GLY  19           HA1      GLY  19   7.542   2.088  -2.484
  133    H    PHE  20           HN       PHE  20   5.774   2.696  -1.156
  134    HA   PHE  20           HA       PHE  20   4.901   5.441  -1.081
  135    HD1  PHE  20           HD1      PHE  20   3.785   1.640  -0.908
  136    HD2  PHE  20           HD2      PHE  20   1.886   5.412  -0.357
  137    HE1  PHE  20           HE1      PHE  20   1.909   0.904  -2.327
  138    HE2  PHE  20           HE2      PHE  20   0.012   4.687  -1.775
  139    HZ   PHE  20           HZ       PHE  20   0.025   2.426  -2.764
  140    HB2  PHE  20           HB2      PHE  20   4.466   3.158   0.859
  141    HB3  PHE  20           HB1      PHE  20   3.733   4.749   1.017
  142    H    ASP  21           HN       ASP  21   5.912   7.064  -0.090
  143    HA   ASP  21           HA       ASP  21   8.335   6.680   1.323
  144    HB2  ASP  21           HB2      ASP  21   7.600   8.792   0.085
  145    HB3  ASP  21           HB1      ASP  21   6.612   9.156   1.498
  146    H    VAL  22           HN       VAL  22   8.300   5.543   3.125
  147    HA   VAL  22           HA       VAL  22   6.038   5.358   4.818
  148    HB   VAL  22           HB       VAL  22   7.502   3.964   6.257
  149   HG11  VAL  22          HG11      VAL  22   7.736   2.139   4.640
  150   HG12  VAL  22          HG12      VAL  22   7.519   3.287   3.318
  151   HG13  VAL  22          HG13      VAL  22   6.199   2.981   4.447
  152   HG21  VAL  22          HG21      VAL  22   9.628   5.063   5.862
  153   HG22  VAL  22          HG22      VAL  22   9.580   4.590   4.162
  154   HG23  VAL  22          HG23      VAL  22   9.734   3.359   5.418
  155    H    ASN  23           HN       ASN  23   8.321   7.768   4.676
  156    HA   ASN  23           HA       ASN  23   8.588   8.212   7.512
  157    HB2  ASN  23           HB2      ASN  23   9.185  10.127   5.243
  158    HB3  ASN  23           HB1      ASN  23   9.708  10.299   6.914
  159   HD21  ASN  23          HD21      ASN  23  10.258   8.802   3.879
  160   HD22  ASN  23          HD22      ASN  23  11.743   8.001   4.299
  161    H    ASN  24           HN       ASN  24   6.646   9.501   4.859
  162    HA   ASN  24           HA       ASN  24   5.106  11.027   6.849
  163    HB2  ASN  24           HB2      ASN  24   4.426  12.494   4.904
  164    HB3  ASN  24           HB1      ASN  24   6.113  12.610   5.396
  165   HD21  ASN  24          HD21      ASN  24   7.708  11.777   4.061
  166   HD22  ASN  24          HD22      ASN  24   7.413  11.409   2.397
  167    H    LEU  25           HN       LEU  25   4.690   8.248   6.114
  168    HA   LEU  25           HA       LEU  25   2.367   8.002   4.513
  169    HG   LEU  25           HG       LEU  25   4.564   6.095   4.424
  170    HB2  LEU  25           HB2      LEU  25   3.573   6.316   6.686
  171    HB3  LEU  25           HB1      LEU  25   2.008   5.915   6.018
  172   HD11  LEU  25          HD11      LEU  25   4.543   4.235   6.043
  173   HD12  LEU  25          HD12      LEU  25   4.460   3.667   4.375
  174   HD13  LEU  25          HD13      LEU  25   3.004   3.690   5.370
  175   HD21  LEU  25          HD21      LEU  25   2.393   6.560   3.228
  176   HD22  LEU  25          HD22      LEU  25   1.913   4.908   3.634
  177   HD23  LEU  25          HD23      LEU  25   3.326   5.195   2.618
  178    H    ASP  26           HN       ASP  26   0.338   8.565   4.921
  179    HA   ASP  26           HA       ASP  26  -0.511   9.770   7.329
  180    HB2  ASP  26           HB2      ASP  26  -1.713   9.017   4.782
  181    HB3  ASP  26           HB1      ASP  26  -2.817   8.772   6.129
  182    HA   PRO  27           HA       PRO  27  -0.763   6.514  10.194
  183    HB2  PRO  27           HB2      PRO  27  -3.320   7.852  10.960
  184    HB3  PRO  27           HB1      PRO  27  -1.962   7.352  11.973
  185    HG2  PRO  27           HG2      PRO  27  -2.285   9.907  11.312
  186    HG3  PRO  27           HG1      PRO  27  -0.668   9.178  11.377
  187    HD2  PRO  27           HD2      PRO  27  -2.320   9.917   9.015
  188    HD3  PRO  27           HD1      PRO  27  -0.558   9.925   9.213
  189    H    ASP  28           HN       ASP  28  -3.634   7.283   8.316
  190    HA   ASP  28           HA       ASP  28  -5.002   4.844   8.889
  191    HB2  ASP  28           HB2      ASP  28  -6.387   5.553   6.871
  192    HB3  ASP  28           HB1      ASP  28  -6.335   6.689   8.217
  193    H    LEU  29           HN       LEU  29  -3.260   6.005   5.976
  194    HA   LEU  29           HA       LEU  29  -3.325   3.608   4.558
  195    HG   LEU  29           HG       LEU  29  -3.349   6.615   3.825
  196    HB2  LEU  29           HB2      LEU  29  -1.185   5.737   4.613
  197    HB3  LEU  29           HB1      LEU  29  -1.281   4.456   3.422
  198   HD11  LEU  29          HD11      LEU  29  -1.308   7.516   2.928
  199   HD12  LEU  29          HD12      LEU  29  -2.520   7.427   1.648
  200   HD13  LEU  29          HD13      LEU  29  -1.223   6.227   1.721
  201   HD21  LEU  29          HD21      LEU  29  -4.330   5.757   1.768
  202   HD22  LEU  29          HD22      LEU  29  -4.294   4.502   3.009
  203   HD23  LEU  29          HD23      LEU  29  -3.109   4.488   1.701
  204    H    ARG  30           HN       ARG  30  -0.966   4.809   6.905
  205    HA   ARG  30           HA       ARG  30   0.862   2.693   6.699
  206    HE   ARG  30           HE       ARG  30   4.395   2.407   9.698
  207    HB2  ARG  30           HB2      ARG  30   1.038   4.986   7.880
  208    HB3  ARG  30           HB1      ARG  30   0.352   4.161   9.270
  209    HG2  ARG  30           HG2      ARG  30   2.848   3.231   7.869
  210    HG3  ARG  30           HG1      ARG  30   2.865   4.368   9.216
  211    HD2  ARG  30           HD2      ARG  30   1.771   2.696  10.631
  212    HD3  ARG  30           HD1      ARG  30   1.758   1.562   9.280
  213   HH11  ARG  30          HH11      ARG  30   1.928   0.562  11.362
  214   HH12  ARG  30          HH12      ARG  30   3.072  -0.467  12.177
  215   HH21  ARG  30          HH21      ARG  30   5.895   1.066  10.750
  216   HH22  ARG  30          HH22      ARG  30   5.330  -0.208  11.800
  217    H    SER  31           HN       SER  31  -1.917   3.195   8.833
  218    HA   SER  31           HA       SER  31  -1.725   0.844  10.339
  219    HG   SER  31           HG       SER  31  -3.287   1.373  12.106
  220    HB2  SER  31           HB2      SER  31  -3.333   2.948  10.513
  221    HB3  SER  31           HB1      SER  31  -4.407   1.936   9.561
  222    H    LEU  32           HN       LEU  32  -3.407   1.545   7.307
  223    HA   LEU  32           HA       LEU  32  -4.717  -0.934   7.084
  224    HG   LEU  32           HG       LEU  32  -6.443   0.307   4.293
  225    HB2  LEU  32           HB2      LEU  32  -5.270   1.248   5.950
  226    HB3  LEU  32           HB1      LEU  32  -3.951   0.920   4.845
  227   HD11  LEU  32          HD11      LEU  32  -5.607  -1.428   2.741
  228   HD12  LEU  32          HD12      LEU  32  -4.053  -1.360   3.575
  229   HD13  LEU  32          HD13      LEU  32  -4.660   0.060   2.721
  230   HD21  LEU  32          HD21      LEU  32  -6.858  -2.098   4.682
  231   HD22  LEU  32          HD22      LEU  32  -6.811  -1.162   6.175
  232   HD23  LEU  32          HD23      LEU  32  -5.425  -2.148   5.709
  233    H    PHE  33           HN       PHE  33  -1.898   0.327   5.358
  234    HA   PHE  33           HA       PHE  33  -1.440  -1.949   3.809
  235    HD1  PHE  33           HD2      PHE  33  -2.153  -0.739   2.431
  236    HD2  PHE  33           HD1      PHE  33   1.044   1.982   3.296
  237    HE1  PHE  33           HE2      PHE  33  -3.040   0.844   0.783
  238    HE2  PHE  33           HE1      PHE  33   0.131   3.556   1.646
  239    HZ   PHE  33           HZ       PHE  33  -1.898   2.979   0.381
  240    HB2  PHE  33           HB2      PHE  33   0.569   0.099   4.755
  241    HB3  PHE  33           HB1      PHE  33   0.838  -1.067   3.463
  242    H    SER  34           HN       SER  34  -0.091  -1.062   6.953
  243    HA   SER  34           HA       SER  34   1.523  -3.385   7.196
  244    HG   SER  34           HG       SER  34   2.579  -1.461   7.502
  245    HB2  SER  34           HB2      SER  34   0.449  -1.463   9.249
  246    HB3  SER  34           HB1      SER  34   1.671  -2.702   9.563
  247    H    ARG  35           HN       ARG  35  -1.832  -2.781   7.612
  248    HA   ARG  35           HA       ARG  35  -2.272  -5.204   9.180
  249    HE   ARG  35           HE       ARG  35  -6.827  -3.747   8.266
  250    HB2  ARG  35           HB2      ARG  35  -3.599  -3.029   9.457
  251    HB3  ARG  35           HB1      ARG  35  -4.398  -3.467   7.951
  252    HG2  ARG  35           HG2      ARG  35  -5.223  -5.487   8.912
  253    HG3  ARG  35           HG1      ARG  35  -4.296  -5.229  10.382
  254    HD2  ARG  35           HD2      ARG  35  -6.493  -4.586  10.904
  255    HD3  ARG  35           HD1      ARG  35  -5.592  -3.090  10.690
  256   HH11  ARG  35          HH11      ARG  35  -7.642  -2.784  11.533
  257   HH12  ARG  35          HH12      ARG  35  -9.118  -1.993  11.067
  258   HH21  ARG  35          HH21      ARG  35  -8.779  -2.690   7.646
  259   HH22  ARG  35          HH22      ARG  35  -9.748  -1.927   8.876
  260    H    ALA  36           HN       ALA  36  -1.828  -4.305   6.020
  261    HA   ALA  36           HA       ALA  36  -3.401  -6.494   4.895
  262    HB1  ALA  36           HB1      ALA  36  -2.672  -5.527   2.712
  263    HB2  ALA  36           HB2      ALA  36  -1.815  -4.272   3.608
  264    HB3  ALA  36           HB3      ALA  36  -3.569  -4.400   3.728
  265    H    GLY  37           HN       GLY  37  -0.584  -6.252   6.419
  266    HA2  GLY  37           HA2      GLY  37   0.947  -8.010   6.652
  267    HA3  GLY  37           HA1      GLY  37   0.418  -8.646   5.102
  268    H    ILE  38           HN       ILE  38   0.828  -5.562   4.358
  269    HA   ILE  38           HA       ILE  38   3.365  -5.988   3.125
  270    HB   ILE  38           HB       ILE  38   1.992  -3.327   3.369
  271   HG12  ILE  38          HG12      ILE  38   1.405  -5.276   1.161
  272   HG13  ILE  38          HG11      ILE  38   0.463  -5.302   2.651
  273   HG21  ILE  38          HG21      ILE  38   3.703  -4.592   1.230
  274   HG22  ILE  38          HG22      ILE  38   4.219  -3.358   2.378
  275   HG23  ILE  38          HG23      ILE  38   3.003  -2.974   1.158
  276   HD11  ILE  38          HD11      ILE  38  -0.620  -4.010   0.902
  277   HD12  ILE  38          HD12      ILE  38   0.788  -2.949   0.809
  278   HD13  ILE  38          HD13      ILE  38  -0.187  -2.999   2.277
  279    H    SER  39           HN       SER  39   5.080  -6.066   4.433
  280    HA   SER  39           HA       SER  39   5.416  -4.501   6.761
  281    HG   SER  39           HG       SER  39   5.952  -6.945   7.171
  282    HB2  SER  39           HB2      SER  39   7.583  -5.801   5.132
  283    HB3  SER  39           HB1      SER  39   7.629  -5.406   6.847
  284    H    GLU  40           HN       GLU  40   7.227  -2.890   7.042
  285    HA   GLU  40           HA       GLU  40   6.737  -0.638   5.483
  286    HB2  GLU  40           HB2      GLU  40   7.741  -0.652   7.757
  287    HB3  GLU  40           HB1      GLU  40   9.242  -1.248   7.069
  288    HG2  GLU  40           HG2      GLU  40   9.448   0.798   5.751
  289    HG3  GLU  40           HG1      GLU  40   7.949   1.399   6.461
  290    H    ALA  41           HN       ALA  41   9.468  -2.905   5.298
  291    HA   ALA  41           HA       ALA  41  10.821  -1.679   3.170
  292    HB1  ALA  41           HB1      ALA  41  11.833  -3.388   4.598
  293    HB2  ALA  41           HB2      ALA  41  11.972  -3.805   2.891
  294    HB3  ALA  41           HB3      ALA  41  10.766  -4.606   3.899
  295    H    GLN  42           HN       GLN  42   8.386  -4.250   3.165
  296    HA   GLN  42           HA       GLN  42   8.378  -4.758   0.404
  297    HB2  GLN  42           HB2      GLN  42   7.283  -6.082   2.336
  298    HB3  GLN  42           HB1      GLN  42   5.937  -4.972   2.151
  299    HG2  GLN  42           HG2      GLN  42   5.747  -5.659  -0.218
  300    HG3  GLN  42           HG1      GLN  42   7.014  -6.851   0.066
  301   HE21  GLN  42          HE21      GLN  42   4.285  -7.289  -0.770
  302   HE22  GLN  42          HE22      GLN  42   3.569  -8.307   0.426
  303    H    LEU  43           HN       LEU  43   6.793  -2.379   2.381
  304    HA   LEU  43           HA       LEU  43   4.903  -1.446   0.492
  305    HG   LEU  43           HG       LEU  43   4.526   1.429   1.468
  306    HB2  LEU  43           HB2      LEU  43   4.944  -1.126   3.015
  307    HB3  LEU  43           HB1      LEU  43   6.138   0.122   2.738
  308   HD11  LEU  43          HD11      LEU  43   3.218  -0.395   0.523
  309   HD12  LEU  43          HD12      LEU  43   2.179   0.740   1.387
  310   HD13  LEU  43          HD13      LEU  43   2.610  -0.802   2.127
  311   HD21  LEU  43          HD21      LEU  43   3.457   0.485   4.121
  312   HD22  LEU  43          HD22      LEU  43   3.066   2.010   3.320
  313   HD23  LEU  43          HD23      LEU  43   4.709   1.705   3.893
  314    H    THR  44           HN       THR  44   8.277  -1.005   0.836
  315    HA   THR  44           HA       THR  44   8.218   1.300  -0.981
  316    HB   THR  44           HB       THR  44  10.696   1.493  -0.268
  317    HG1  THR  44           HG1      THR  44   9.703   0.038   1.975
  318   HG21  THR  44          HG21      THR  44   8.995   3.105   0.374
  319   HG22  THR  44          HG22      THR  44  10.066   2.784   1.740
  320   HG23  THR  44          HG23      THR  44   8.461   2.054   1.683
  321    H    ASP  45           HN       ASP  45   8.211  -1.833  -1.287
  322    HA   ASP  45           HA       ASP  45  10.341  -2.114  -3.231
  323    HB2  ASP  45           HB2      ASP  45   8.252  -3.925  -2.106
  324    HB3  ASP  45           HB1      ASP  45   8.925  -4.318  -3.685
  325    H    ALA  46           HN       ALA  46   9.997  -2.433  -5.472
  326    HA   ALA  46           HA       ALA  46   8.477  -0.348  -6.521
  327    HB1  ALA  46           HB1      ALA  46   9.602  -2.696  -8.030
  328    HB2  ALA  46           HB2      ALA  46  10.502  -1.249  -7.569
  329    HB3  ALA  46           HB3      ALA  46   9.156  -1.128  -8.702
  330    H    GLU  47           HN       GLU  47   7.962  -3.811  -7.333
  331    HA   GLU  47           HA       GLU  47   5.516  -3.200  -8.633
  332    HB2  GLU  47           HB2      GLU  47   5.178  -5.673  -8.726
  333    HB3  GLU  47           HB1      GLU  47   6.699  -5.119  -9.401
  334    HG2  GLU  47           HG2      GLU  47   6.595  -6.052  -6.571
  335    HG3  GLU  47           HG1      GLU  47   6.612  -7.225  -7.885
  336    H    THR  48           HN       THR  48   6.248  -4.534  -5.432
  337    HA   THR  48           HA       THR  48   3.717  -5.140  -4.557
  338    HB   THR  48           HB       THR  48   5.810  -3.747  -2.879
  339    HG1  THR  48           HG1      THR  48   6.778  -5.701  -2.656
  340   HG21  THR  48          HG21      THR  48   3.535  -5.620  -2.208
  341   HG22  THR  48          HG22      THR  48   3.698  -3.927  -1.736
  342   HG23  THR  48          HG23      THR  48   4.797  -5.136  -1.073
  343    H    SER  49           HN       SER  49   5.325  -1.972  -4.146
  344    HA   SER  49           HA       SER  49   3.067  -0.723  -3.006
  345    HG   SER  49           HG       SER  49   6.361  -0.145  -4.589
  346    HB2  SER  49           HB2      SER  49   4.309   1.381  -3.398
  347    HB3  SER  49           HB1      SER  49   5.334   0.135  -2.680
  348    H    LYS  50           HN       LYS  50   4.260  -0.952  -6.299
  349    HA   LYS  50           HA       LYS  50   2.565   0.914  -7.513
  350    HB2  LYS  50           HB2      LYS  50   4.559  -0.070  -8.570
  351    HB3  LYS  50           HB1      LYS  50   3.740  -1.621  -8.666
  352    HG2  LYS  50           HG2      LYS  50   2.137  -0.723 -10.228
  353    HG3  LYS  50           HG1      LYS  50   2.837   0.892 -10.063
  354    HD2  LYS  50           HD2      LYS  50   4.951   0.076 -10.967
  355    HD3  LYS  50           HD1      LYS  50   4.279  -1.546 -11.108
  356    HE2  LYS  50           HE2      LYS  50   2.646  -0.755 -12.718
  357    HE3  LYS  50           HE1      LYS  50   3.244   0.892 -12.536
  358    HZ1  LYS  50           HZ1      LYS  50   4.909  -1.371 -13.491
  359    HZ2  LYS  50           HZ2      LYS  50   5.326   0.272 -13.481
  360    HZ3  LYS  50           HZ3      LYS  50   4.109  -0.288 -14.522
  361    H    LEU  51           HN       LEU  51   2.092  -2.502  -6.756
  362    HA   LEU  51           HA       LEU  51  -0.461  -2.574  -8.087
  363    HG   LEU  51           HG       LEU  51   1.893  -4.400  -8.590
  364    HB2  LEU  51           HB2      LEU  51   0.967  -4.556  -6.330
  365    HB3  LEU  51           HB1      LEU  51  -0.634  -4.844  -6.994
  366   HD11  LEU  51          HD11      LEU  51   0.210  -6.865  -8.176
  367   HD12  LEU  51          HD12      LEU  51   1.816  -6.574  -7.505
  368   HD13  LEU  51          HD13      LEU  51   1.603  -6.730  -9.250
  369   HD21  LEU  51          HD21      LEU  51  -0.927  -4.977  -9.492
  370   HD22  LEU  51          HD22      LEU  51   0.498  -4.961 -10.532
  371   HD23  LEU  51          HD23      LEU  51  -0.034  -3.477  -9.741
  372    H    ILE  52           HN       ILE  52   0.675  -2.077  -4.779
  373    HA   ILE  52           HA       ILE  52  -1.838  -2.049  -3.529
  374    HB   ILE  52           HB       ILE  52   0.518  -0.237  -2.961
  375   HG12  ILE  52          HG12      ILE  52  -0.261  -2.822  -1.607
  376   HG13  ILE  52          HG11      ILE  52   0.988  -2.699  -2.845
  377   HG21  ILE  52          HG21      ILE  52  -0.479  -0.005  -0.735
  378   HG22  ILE  52          HG22      ILE  52  -1.855  -0.980  -1.253
  379   HG23  ILE  52          HG23      ILE  52  -1.559   0.592  -1.994
  380   HD11  ILE  52          HD11      ILE  52   1.768  -2.695  -0.454
  381   HD12  ILE  52          HD12      ILE  52   1.051  -1.087  -0.321
  382   HD13  ILE  52          HD13      ILE  52   2.359  -1.378  -1.470
  383    H    TYR  53           HN       TYR  53  -0.054   0.484  -5.239
  384    HA   TYR  53           HA       TYR  53  -1.919   2.555  -4.925
  385    HD1  TYR  53           HD2      TYR  53  -0.691   4.762  -4.695
  386    HD2  TYR  53           HD1      TYR  53  -0.754   3.818  -8.852
  387    HE1  TYR  53           HE2      TYR  53  -1.136   7.117  -5.221
  388    HE2  TYR  53           HE1      TYR  53  -1.198   6.180  -9.382
  389    HH   TYR  53           HH       TYR  53  -0.731   8.648  -7.218
  390    HB2  TYR  53           HB2      TYR  53   0.490   2.654  -5.789
  391    HB3  TYR  53           HB1      TYR  53  -0.163   2.170  -7.348
  392    H    ASP  54           HN       ASP  54  -1.552   0.088  -7.417
  393    HA   ASP  54           HA       ASP  54  -3.745   0.738  -9.039
  394    HB2  ASP  54           HB2      ASP  54  -2.156  -0.878  -9.815
  395    HB3  ASP  54           HB1      ASP  54  -2.381  -1.883  -8.390
  396    H    PHE  55           HN       PHE  55  -3.490  -1.409  -6.243
  397    HA   PHE  55           HA       PHE  55  -6.088  -2.309  -5.986
  398    HD1  PHE  55           HD1      PHE  55  -6.564  -4.238  -3.936
  399    HD2  PHE  55           HD2      PHE  55  -5.044  -0.740  -2.018
  400    HE1  PHE  55           HE1      PHE  55  -8.046  -4.640  -2.027
  401    HE2  PHE  55           HE2      PHE  55  -6.540  -1.149  -0.105
  402    HZ   PHE  55           HZ       PHE  55  -8.045  -3.107  -0.104
  403    HB2  PHE  55           HB2      PHE  55  -4.400  -3.208  -4.581
  404    HB3  PHE  55           HB1      PHE  55  -3.976  -1.623  -3.949
  405    H    ILE  56           HN       ILE  56  -4.652   0.621  -4.663
  406    HA   ILE  56           HA       ILE  56  -6.832   1.459  -3.152
  407    HB   ILE  56           HB       ILE  56  -4.582   3.043  -4.377
  408   HG12  ILE  56          HG12      ILE  56  -5.009   2.010  -1.569
  409   HG13  ILE  56          HG11      ILE  56  -4.024   1.201  -2.784
  410   HG21  ILE  56          HG21      ILE  56  -6.529   3.845  -2.227
  411   HG22  ILE  56          HG22      ILE  56  -6.437   4.528  -3.850
  412   HG23  ILE  56          HG23      ILE  56  -5.104   4.763  -2.716
  413   HD11  ILE  56          HD11      ILE  56  -2.659   2.448  -1.237
  414   HD12  ILE  56          HD12      ILE  56  -3.527   3.931  -1.630
  415   HD13  ILE  56          HD13      ILE  56  -2.542   3.134  -2.856
  416    H    GLU  57           HN       GLU  57  -5.994   2.188  -6.531
  417    HA   GLU  57           HA       GLU  57  -8.103   4.049  -6.942
  418    HB2  GLU  57           HB2      GLU  57  -5.952   3.381  -8.395
  419    HB3  GLU  57           HB1      GLU  57  -7.135   2.371  -9.210
  420    HG2  GLU  57           HG2      GLU  57  -7.499   5.324  -8.797
  421    HG3  GLU  57           HG1      GLU  57  -6.721   4.636 -10.216
  422    H    ASP  58           HN       ASP  58  -7.816   0.547  -7.321
  423    HA   ASP  58           HA       ASP  58 -10.249  -0.063  -8.525
  424    HB2  ASP  58           HB2      ASP  58  -8.425  -1.695  -8.022
  425    HB3  ASP  58           HB1      ASP  58  -8.912  -1.641  -6.345
  426    H    GLN  59           HN       GLN  59  -9.470   0.586  -5.174
  427    HA   GLN  59           HA       GLN  59 -12.101  -0.071  -4.219
  428    HB2  GLN  59           HB2      GLN  59  -9.915   1.382  -2.725
  429    HB3  GLN  59           HB1      GLN  59 -11.279   0.510  -2.039
  430    HG2  GLN  59           HG2      GLN  59  -8.941  -0.676  -3.524
  431    HG3  GLN  59           HG1      GLN  59  -9.270  -0.795  -1.799
  432   HE21  GLN  59          HE21      GLN  59 -12.105  -1.233  -2.125
  433   HE22  GLN  59          HE22      GLN  59 -12.278  -2.836  -2.741
  434    H    GLY  60           HN       GLY  60 -10.618   2.725  -5.531
  435    HA2  GLY  60           HA2      GLY  60 -12.241   4.460  -6.207
  436    HA3  GLY  60           HA1      GLY  60 -12.899   4.356  -4.584
  437    H    GLY  61           HN       GLY  61  -9.589   4.095  -4.364
  438    HA2  GLY  61           HA2      GLY  61  -7.956   5.895  -4.495
  439    HA3  GLY  61           HA1      GLY  61  -9.257   7.016  -4.133
  440    H    LEU  62           HN       LEU  62  -7.259   7.451  -2.573
  441    HA   LEU  62           HA       LEU  62  -6.732   5.761  -0.407
  442    HG   LEU  62           HG       LEU  62  -5.205   7.914  -2.250
  443    HB2  LEU  62           HB2      LEU  62  -6.620   8.776  -0.444
  444    HB3  LEU  62           HB1      LEU  62  -5.810   7.729   0.702
  445   HD11  LEU  62          HD11      LEU  62  -3.677   8.851   0.173
  446   HD12  LEU  62          HD12      LEU  62  -4.509   9.879  -0.995
  447   HD13  LEU  62          HD13      LEU  62  -3.113   8.925  -1.496
  448   HD21  LEU  62          HD21      LEU  62  -3.784   6.361  -0.088
  449   HD22  LEU  62          HD22      LEU  62  -3.335   6.445  -1.793
  450   HD23  LEU  62          HD23      LEU  62  -4.839   5.656  -1.312
  451    H    GLU  63           HN       GLU  63  -9.104   8.304  -0.851
  452    HA   GLU  63           HA       GLU  63  -9.966   8.509   1.823
  453    HB2  GLU  63           HB2      GLU  63 -11.543   9.108  -0.691
  454    HB3  GLU  63           HB1      GLU  63 -11.887   9.714   0.920
  455    HG2  GLU  63           HG2      GLU  63 -10.878  11.483  -0.205
  456    HG3  GLU  63           HG1      GLU  63  -9.618  10.827   0.836
  457    H    ALA  64           HN       ALA  64 -10.744   6.317  -0.750
  458    HA   ALA  64           HA       ALA  64 -13.214   5.399   0.347
  459    HB1  ALA  64           HB1      ALA  64 -12.738   5.243  -2.038
  460    HB2  ALA  64           HB2      ALA  64 -13.095   3.658  -1.350
  461    HB3  ALA  64           HB3      ALA  64 -11.427   4.110  -1.708
  462    H    VAL  65           HN       VAL  65  -9.882   4.110   0.339
  463    HA   VAL  65           HA       VAL  65 -10.612   1.705   1.656
  464    HB   VAL  65           HB       VAL  65  -8.383   1.116   1.721
  465   HG11  VAL  65          HG11      VAL  65  -9.052   1.483  -0.577
  466   HG12  VAL  65          HG12      VAL  65  -7.341   1.849  -0.368
  467   HG13  VAL  65          HG13      VAL  65  -8.514   3.158  -0.486
  468   HG21  VAL  65          HG21      VAL  65  -7.483   2.793   3.135
  469   HG22  VAL  65          HG22      VAL  65  -7.678   4.034   1.894
  470   HG23  VAL  65          HG23      VAL  65  -6.493   2.743   1.676
  471    H    ARG  66           HN       ARG  66  -9.814   4.892   2.751
  472    HA   ARG  66           HA       ARG  66  -9.416   4.387   5.485
  473    HE   ARG  66           HE       ARG  66  -6.391   8.117   4.745
  474    HB2  ARG  66           HB2      ARG  66 -10.603   6.755   4.032
  475    HB3  ARG  66           HB1      ARG  66 -10.313   6.744   5.767
  476    HG2  ARG  66           HG2      ARG  66  -7.943   6.475   5.409
  477    HG3  ARG  66           HG1      ARG  66  -8.195   6.348   3.665
  478    HD2  ARG  66           HD2      ARG  66  -8.932   8.611   3.528
  479    HD3  ARG  66           HD1      ARG  66  -9.000   8.755   5.284
  480   HH11  ARG  66          HH11      ARG  66  -8.557  10.672   3.685
  481   HH12  ARG  66          HH12      ARG  66  -7.301  11.862   3.558
  482   HH21  ARG  66          HH21      ARG  66  -4.760   9.669   4.623
  483   HH22  ARG  66          HH22      ARG  66  -5.126  11.286   4.103
  484    H    GLN  67           HN       GLN  67 -12.297   4.696   3.527
  485    HA   GLN  67           HA       GLN  67 -14.142   4.701   5.715
  486    HB2  GLN  67           HB2      GLN  67 -14.627   4.052   2.803
  487    HB3  GLN  67           HB1      GLN  67 -15.855   4.414   4.005
  488    HG2  GLN  67           HG2      GLN  67 -14.957   6.683   4.219
  489    HG3  GLN  67           HG1      GLN  67 -13.764   6.312   2.974
  490   HE21  GLN  67          HE21      GLN  67 -15.868   8.331   2.979
  491   HE22  GLN  67          HE22      GLN  67 -16.861   7.990   1.597
  492    H    GLU  68           HN       GLU  68 -12.821   2.341   3.476
  493    HA   GLU  68           HA       GLU  68 -14.546   0.208   3.935
  494    HB2  GLU  68           HB2      GLU  68 -11.600  -0.039   3.331
  495    HB3  GLU  68           HB1      GLU  68 -12.876  -1.186   2.931
  496    HG2  GLU  68           HG2      GLU  68 -13.436   1.431   1.890
  497    HG3  GLU  68           HG1      GLU  68 -11.877   0.836   1.331
  498    H    MET  69           HN       MET  69 -11.859   1.356   5.825
  499    HA   MET  69           HA       MET  69 -11.367  -0.822   7.486
  500    HB2  MET  69           HB2      MET  69 -11.249   2.135   7.940
  501    HB3  MET  69           HB1      MET  69 -10.970   1.024   9.276
  502    HG2  MET  69           HG2      MET  69  -9.227  -0.081   7.851
  503    HG3  MET  69           HG1      MET  69  -9.410   1.263   6.725
  504    HE1  MET  69           HE1      MET  69  -6.689   1.241   7.186
  505    HE2  MET  69           HE2      MET  69  -6.830   0.118   8.545
  506    HE3  MET  69           HE3      MET  69  -5.977   1.657   8.753
  507    H    ARG  70           HN       ARG  70 -13.963   1.526   7.571
  508    HA   ARG  70           HA       ARG  70 -15.332  -0.078   9.617
  509    HE   ARG  70           HE       ARG  70 -14.073   3.532  11.216
  510    HB2  ARG  70           HB2      ARG  70 -16.455   2.061  10.263
  511    HB3  ARG  70           HB1      ARG  70 -14.724   2.027  10.563
  512    HG2  ARG  70           HG2      ARG  70 -14.355   3.309   8.497
  513    HG3  ARG  70           HG1      ARG  70 -16.103   3.399   8.270
  514    HD2  ARG  70           HD2      ARG  70 -15.054   5.418   9.333
  515    HD3  ARG  70           HD1      ARG  70 -16.378   4.689  10.243
  516   HH11  ARG  70          HH11      ARG  70 -15.316   6.799  10.943
  517   HH12  ARG  70          HH12      ARG  70 -14.558   7.335  12.416
  518   HH21  ARG  70          HH21      ARG  70 -13.092   4.225  13.127
  519   HH22  ARG  70          HH22      ARG  70 -13.327   5.855  13.683
  520    H    ARG  71           HN       ARG  71 -15.318  -0.292   6.696
  521    HA   ARG  71           HA       ARG  71 -18.168   0.249   6.120
  522    HE   ARG  71           HE       ARG  71 -19.051   1.140   1.239
  523    HB2  ARG  71           HB2      ARG  71 -16.512   1.586   4.778
  524    HB3  ARG  71           HB1      ARG  71 -15.937   0.066   4.107
  525    HG2  ARG  71           HG2      ARG  71 -18.580  -0.149   3.644
  526    HG3  ARG  71           HG1      ARG  71 -18.360   1.599   3.512
  527    HD2  ARG  71           HD2      ARG  71 -16.340   1.048   2.045
  528    HD3  ARG  71           HD1      ARG  71 -17.009  -0.578   1.948
  529   HH11  ARG  71          HH11      ARG  71 -15.872   0.246   0.081
  530   HH12  ARG  71          HH12      ARG  71 -16.202   0.718  -1.563
  531   HH21  ARG  71          HH21      ARG  71 -19.476   1.777  -0.936
  532   HH22  ARG  71          HH22      ARG  71 -18.222   1.597  -2.131
  533    H    GLN  72           HN       GLN  72 -15.467  -1.731   4.969
  534    HA   GLN  72           HA       GLN  72 -17.219  -3.983   4.500
  535    HB2  GLN  72           HB2      GLN  72 -14.215  -3.697   4.302
  536    HB3  GLN  72           HB1      GLN  72 -15.099  -5.157   3.885
  537    HG2  GLN  72           HG2      GLN  72 -16.338  -3.834   2.184
  538    HG3  GLN  72           HG1      GLN  72 -15.273  -2.475   2.539
  539   HE21  GLN  72          HE21      GLN  72 -14.395  -2.415   0.494
  540   HE22  GLN  72          HE22      GLN  72 -13.319  -3.638  -0.095
  541    H1   GLY  73           HT1      GLY  73 -11.200 -15.246  -1.192
  542    H2   GLY  73           HT2      GLY  73 -12.329 -16.267  -0.451
  543    H3   GLY  73           HT3      GLY  73 -10.882 -16.903  -1.059
  544    HA2  GLY  73           HA1      GLY  73 -10.755 -16.741   1.332
  545    HA3  GLY  73           HA2      GLY  73  -9.611 -15.642   0.570
  546    H    HIS  74           HN       HIS  74  -9.564 -13.672   1.389
  547    HA   HIS  74           HA       HIS  74 -10.181 -11.685   2.298
  548    HD1  HIS  74           HD1      HIS  74 -14.601 -10.725   2.115
  549    HD2  HIS  74           HD2      HIS  74 -10.801  -9.092   1.573
  550    HE1  HIS  74           HE1      HIS  74 -14.860  -8.257   2.496
  551    HE2  HIS  74           HE2      HIS  74 -12.530  -7.329   2.369
  552    HB2  HIS  74           HB2      HIS  74 -11.789 -11.780   0.355
  553    HB3  HIS  74           HB1      HIS  74 -12.992 -12.432   1.457
  554    H    MET  75           HN       MET  75  -9.863 -13.790   4.015
  555    HA   MET  75           HA       MET  75 -11.924 -14.239   5.850
  556    HB2  MET  75           HB2      MET  75 -10.146 -14.941   7.415
  557    HB3  MET  75           HB1      MET  75  -9.933 -15.633   5.813
  558    HG2  MET  75           HG2      MET  75  -8.267 -13.885   5.318
  559    HG3  MET  75           HG1      MET  75  -8.442 -13.290   6.967
  560    HE1  MET  75           HE1      MET  75  -5.648 -14.082   5.678
  561    HE2  MET  75           HE2      MET  75  -4.909 -14.965   7.014
  562    HE3  MET  75           HE3      MET  75  -5.828 -13.492   7.330
  563    H    LEU  76           HN       LEU  76  -9.653 -11.656   5.555
  564    HA   LEU  76           HA       LEU  76 -10.757 -10.315   7.896
  565    HG   LEU  76           HG       LEU  76  -9.413  -7.818   8.183
  566    HB2  LEU  76           HB2      LEU  76  -8.228 -10.322   6.975
  567    HB3  LEU  76           HB1      LEU  76  -8.835  -8.929   6.095
  568   HD11  LEU  76          HD11      LEU  76  -8.833  -8.812  10.343
  569   HD12  LEU  76          HD12      LEU  76  -8.349 -10.300   9.530
  570   HD13  LEU  76          HD13      LEU  76 -10.034  -9.782   9.492
  571   HD21  LEU  76          HD21      LEU  76  -6.623  -8.959   8.221
  572   HD22  LEU  76          HD22      LEU  76  -7.161  -7.534   9.110
  573   HD23  LEU  76          HD23      LEU  76  -7.151  -7.521   7.347
  574    HA   PRO  77           HA       PRO  77 -13.932  -8.847   5.522
  575    HB2  PRO  77           HB2      PRO  77 -14.895  -6.838   7.020
  576    HB3  PRO  77           HB1      PRO  77 -14.942  -8.522   7.555
  577    HG2  PRO  77           HG2      PRO  77 -13.017  -6.353   8.289
  578    HG3  PRO  77           HG1      PRO  77 -13.791  -7.561   9.331
  579    HD2  PRO  77           HD2      PRO  77 -11.230  -7.794   8.393
  580    HD3  PRO  77           HD1      PRO  77 -12.265  -9.188   8.784
  581    H    ASP  78           HN       ASP  78 -11.494  -6.482   6.201
  582    HA   ASP  78           HA       ASP  78 -12.802  -4.549   4.445
  583    HB2  ASP  78           HB2      ASP  78 -11.412  -2.872   5.518
  584    HB3  ASP  78           HB1      ASP  78 -12.244  -3.830   6.740
  585    H    VAL  79           HN       VAL  79 -10.792  -2.945   3.809
  586    HA   VAL  79           HA       VAL  79  -9.619  -3.776   1.507
  587    HB   VAL  79           HB       VAL  79  -7.686  -2.128   2.386
  588   HG11  VAL  79          HG11      VAL  79  -8.915  -0.294   1.345
  589   HG12  VAL  79          HG12      VAL  79 -10.369  -1.300   1.324
  590   HG13  VAL  79          HG13      VAL  79  -8.956  -1.767   0.378
  591   HG21  VAL  79          HG21      VAL  79  -8.610  -0.410   3.772
  592   HG22  VAL  79          HG22      VAL  79  -8.756  -1.956   4.606
  593   HG23  VAL  79          HG23      VAL  79 -10.165  -1.235   3.827
  594    H    ALA  80           HN       ALA  80  -8.391  -4.307   4.768
  595    HA   ALA  80           HA       ALA  80  -5.751  -4.840   4.310
  596    HB1  ALA  80           HB1      ALA  80  -6.712  -4.737   6.518
  597    HB2  ALA  80           HB2      ALA  80  -5.793  -6.231   6.312
  598    HB3  ALA  80           HB3      ALA  80  -7.561  -6.264   6.248
  599    H    GLN  81           HN       GLN  81  -8.212  -7.487   4.411
  600    HA   GLN  81           HA       GLN  81  -6.353  -9.369   3.325
  601    HB2  GLN  81           HB2      GLN  81  -8.887  -9.488   4.531
  602    HB3  GLN  81           HB1      GLN  81  -9.089 -10.172   2.925
  603    HG2  GLN  81           HG2      GLN  81  -6.996 -11.034   4.897
  604    HG3  GLN  81           HG1      GLN  81  -8.551 -11.832   4.681
  605   HE21  GLN  81          HE21      GLN  81  -5.365 -11.397   3.451
  606   HE22  GLN  81          HE22      GLN  81  -5.477 -12.549   2.164
  607    H    ARG  82           HN       ARG  82  -8.852  -7.323   2.010
  608    HA   ARG  82           HA       ARG  82  -9.081  -8.379  -0.574
  609    HE   ARG  82           HE       ARG  82 -10.722  -4.872  -3.797
  610    HB2  ARG  82           HB2      ARG  82 -10.687  -6.801   0.108
  611    HB3  ARG  82           HB1      ARG  82  -9.464  -5.651   0.621
  612    HG2  ARG  82           HG2      ARG  82 -10.466  -4.808  -1.346
  613    HG3  ARG  82           HG1      ARG  82  -8.846  -5.363  -1.752
  614    HD2  ARG  82           HD2      ARG  82  -9.770  -7.416  -2.683
  615    HD3  ARG  82           HD1      ARG  82 -11.397  -6.870  -2.273
  616   HH11  ARG  82          HH11      ARG  82  -9.819  -8.221  -4.287
  617   HH12  ARG  82          HH12      ARG  82  -9.730  -8.085  -6.014
  618   HH21  ARG  82          HH21      ARG  82 -10.634  -4.679  -6.080
  619   HH22  ARG  82          HH22      ARG  82 -10.222  -6.085  -7.032
  620    H    LEU  83           HN       LEU  83  -6.732  -6.301   0.899
  621    HA   LEU  83           HA       LEU  83  -5.352  -5.697  -1.560
  622    HG   LEU  83           HG       LEU  83  -2.583  -5.109   0.215
  623    HB2  LEU  83           HB2      LEU  83  -5.399  -4.031   0.171
  624    HB3  LEU  83           HB1      LEU  83  -4.725  -5.150   1.336
  625   HD11  LEU  83          HD11      LEU  83  -3.366  -4.885  -2.094
  626   HD12  LEU  83          HD12      LEU  83  -2.162  -3.658  -1.700
  627   HD13  LEU  83          HD13      LEU  83  -3.872  -3.229  -1.760
  628   HD21  LEU  83          HD21      LEU  83  -1.930  -2.925   0.787
  629   HD22  LEU  83          HD22      LEU  83  -3.297  -3.296   1.838
  630   HD23  LEU  83          HD23      LEU  83  -3.526  -2.266   0.424
  631    H    MET  84           HN       MET  84  -4.765  -7.738   1.293
  632    HA   MET  84           HA       MET  84  -2.223  -8.643   0.847
  633    HB2  MET  84           HB2      MET  84  -4.591 -10.294   1.743
  634    HB3  MET  84           HB1      MET  84  -2.917 -10.798   1.889
  635    HG2  MET  84           HG2      MET  84  -2.486  -8.921   3.391
  636    HG3  MET  84           HG1      MET  84  -4.172  -8.425   3.243
  637    HE1  MET  84           HE1      MET  84  -4.454  -8.477   5.903
  638    HE2  MET  84           HE2      MET  84  -2.757  -8.935   6.036
  639    HE3  MET  84           HE3      MET  84  -3.989  -9.860   6.894
  640    H    GLN  85           HN       GLN  85  -5.183 -10.075  -0.486
  641    HA   GLN  85           HA       GLN  85  -3.779 -12.060  -1.967
  642    HB2  GLN  85           HB2      GLN  85  -6.622 -11.122  -2.349
  643    HB3  GLN  85           HB1      GLN  85  -5.938 -12.654  -2.877
  644    HG2  GLN  85           HG2      GLN  85  -6.236 -11.786  -0.010
  645    HG3  GLN  85           HG1      GLN  85  -7.334 -12.865  -0.865
  646   HE21  GLN  85          HE21      GLN  85  -6.949 -14.497   0.631
  647   HE22  GLN  85          HE22      GLN  85  -5.475 -15.401   0.662
  648    H    HIS  86           HN       HIS  86  -4.791  -8.806  -2.603
  649    HA   HIS  86           HA       HIS  86  -4.783  -8.973  -5.435
  650    HD1  HIS  86           HD1      HIS  86  -6.345  -7.478  -6.865
  651    HD2  HIS  86           HD2      HIS  86  -3.601  -4.614  -5.603
  652    HE1  HIS  86           HE1      HIS  86  -6.094  -5.882  -8.791
  653    HE2  HIS  86           HE2      HIS  86  -4.522  -4.092  -7.975
  654    HB2  HIS  86           HB2      HIS  86  -5.925  -7.170  -4.119
  655    HB3  HIS  86           HB1      HIS  86  -4.338  -6.485  -3.777
  656    H    LEU  87           HN       LEU  87  -2.235  -8.732  -3.107
  657    HA   LEU  87           HA       LEU  87  -0.285  -7.988  -5.117
  658    HG   LEU  87           HG       LEU  87   1.450  -6.765  -2.191
  659    HB2  LEU  87           HB2      LEU  87  -0.041  -8.875  -2.251
  660    HB3  LEU  87           HB1      LEU  87   1.363  -8.773  -3.289
  661   HD11  LEU  87          HD11      LEU  87  -0.239  -6.142  -4.602
  662   HD12  LEU  87          HD12      LEU  87   1.516  -6.323  -4.564
  663   HD13  LEU  87          HD13      LEU  87   0.750  -4.986  -3.707
  664   HD21  LEU  87          HD21      LEU  87  -0.426  -5.390  -1.576
  665   HD22  LEU  87          HD22      LEU  87  -0.666  -7.038  -0.995
  666   HD23  LEU  87          HD23      LEU  87  -1.534  -6.471  -2.424
  667    H    ALA  88           HN       ALA  88  -1.290 -10.887  -3.382
  668    HA   ALA  88           HA       ALA  88   0.716 -12.576  -4.467
  669    HB1  ALA  88           HB1      ALA  88  -0.395 -13.006  -2.320
  670    HB2  ALA  88           HB2      ALA  88  -0.495 -14.386  -3.413
  671    HB3  ALA  88           HB3      ALA  88  -1.898 -13.343  -3.182
  672    H    GLU  89           HN       GLU  89  -2.261 -11.456  -5.728
  673    HA   GLU  89           HA       GLU  89  -2.742 -13.676  -7.483
  674    HB2  GLU  89           HB2      GLU  89  -4.428 -12.237  -8.512
  675    HB3  GLU  89           HB1      GLU  89  -4.583 -12.269  -6.764
  676    HG2  GLU  89           HG2      GLU  89  -3.698 -10.106  -6.533
  677    HG3  GLU  89           HG1      GLU  89  -3.107 -10.089  -8.192
  678    H    HIS  90           HN       HIS  90  -0.388 -11.335  -7.511
  679    HA   HIS  90           HA       HIS  90  -0.274 -11.353 -10.458
  680    HD1  HIS  90           HD1      HIS  90  -0.713  -8.739 -12.020
  681    HD2  HIS  90           HD2      HIS  90  -2.035  -8.384  -8.094
  682    HE1  HIS  90           HE1      HIS  90  -2.942  -7.585 -12.154
  683    HE2  HIS  90           HE2      HIS  90  -3.839  -7.681  -9.806
  684    HB2  HIS  90           HB2      HIS  90   0.574  -9.202  -8.528
  685    HB3  HIS  90           HB1      HIS  90   1.099  -9.229 -10.206
  686    H    GLY  91           HN       GLY  91   2.058 -10.591  -7.880
  687    HA2  GLY  91           HA2      GLY  91   3.854 -12.612  -8.055
  688    HA3  GLY  91           HA1      GLY  91   4.202 -11.654  -9.492
  689    H    ILE  92           HN       ILE  92   3.649 -11.288  -6.032
  690    HA   ILE  92           HA       ILE  92   5.366  -8.890  -6.023
  691    HB   ILE  92           HB       ILE  92   3.100  -9.774  -4.246
  692   HG12  ILE  92          HG12      ILE  92   2.367  -8.740  -6.266
  693   HG13  ILE  92          HG11      ILE  92   2.200  -7.548  -4.982
  694   HG21  ILE  92          HG21      ILE  92   4.905  -7.399  -3.840
  695   HG22  ILE  92          HG22      ILE  92   4.842  -8.837  -2.821
  696   HG23  ILE  92          HG23      ILE  92   3.447  -7.763  -2.917
  697   HD11  ILE  92          HD11      ILE  92   3.083  -6.494  -6.937
  698   HD12  ILE  92          HD12      ILE  92   4.381  -7.684  -7.043
  699   HD13  ILE  92          HD13      ILE  92   4.336  -6.545  -5.696
  700    H    GLN  93           HN       GLN  93   7.066  -8.712  -4.610
  701    HA   GLN  93           HA       GLN  93   7.843 -11.161  -3.199
  702    HB2  GLN  93           HB2      GLN  93   9.384  -8.667  -3.911
  703    HB3  GLN  93           HB1      GLN  93  10.017  -9.892  -2.823
  704    HG2  GLN  93           HG2      GLN  93  10.965 -10.526  -4.794
  705    HG3  GLN  93           HG1      GLN  93   9.502 -11.507  -4.803
  706   HE21  GLN  93          HE21      GLN  93   9.580  -8.067  -5.410
  707   HE22  GLN  93          HE22      GLN  93   9.154  -8.153  -7.088
  708    HA   PRO  94           HA       PRO  94   6.626  -9.363   0.737
  709    HB2  PRO  94           HB2      PRO  94   8.238 -11.599   1.780
  710    HB3  PRO  94           HB1      PRO  94   6.535 -11.221   2.063
  711    HG2  PRO  94           HG2      PRO  94   7.278 -13.306   0.547
  712    HG3  PRO  94           HG1      PRO  94   5.836 -12.346   0.168
  713    HD2  PRO  94           HD2      PRO  94   8.550 -12.265  -1.089
  714    HD3  PRO  94           HD1      PRO  94   6.949 -12.159  -1.852
  715    H    ALA  95           HN       ALA  95   7.837  -8.702   2.704
  716    HA   ALA  95           HA       ALA  95  10.246  -7.355   2.002
  717    HB1  ALA  95           HB1      ALA  95   8.644  -6.410   3.594
  718    HB2  ALA  95           HB2      ALA  95  10.251  -6.561   4.303
  719    HB3  ALA  95           HB3      ALA  95   8.990  -7.723   4.720
  720    H    ARG  96           HN       ARG  96  11.560  -9.088   1.349
  721    HA   ARG  96           HA       ARG  96  12.270 -11.278   2.957
  722    HE   ARG  96           HE       ARG  96  14.094 -13.358   3.709
  723    HB2  ARG  96           HB2      ARG  96  12.593 -11.135   0.497
  724    HB3  ARG  96           HB1      ARG  96  13.892  -9.984   0.762
  725    HG2  ARG  96           HG2      ARG  96  14.882 -12.100   0.360
  726    HG3  ARG  96           HG1      ARG  96  15.078 -11.750   2.079
  727    HD2  ARG  96           HD2      ARG  96  12.761 -13.362   1.073
  728    HD3  ARG  96           HD1      ARG  96  14.328 -14.110   1.363
  729   HH11  ARG  96          HH11      ARG  96  11.215 -13.496   1.721
  730   HH12  ARG  96          HH12      ARG  96  10.157 -13.897   3.047
  731   HH21  ARG  96          HH21      ARG  96  12.714 -13.874   5.466
  732   HH22  ARG  96          HH22      ARG  96  11.018 -14.135   5.177
  733    H    ASN  97           HN       ASN  97  13.207 -11.146   4.856
  734    HA   ASN  97           HA       ASN  97  14.964  -9.011   5.627
  735    HB2  ASN  97           HB2      ASN  97  15.244 -10.443   7.717
  736    HB3  ASN  97           HB1      ASN  97  13.609  -9.896   7.362
  737   HD21  ASN  97          HD21      ASN  97  12.840 -11.597   8.678
  738   HD22  ASN  97          HD22      ASN  97  12.782 -13.225   8.088
  739    H    MET  98           HN       MET  98  16.056 -10.118   3.410
  740    HA   MET  98           HA       MET  98  18.595 -11.097   4.389
  741    HB2  MET  98           HB2      MET  98  17.350 -13.189   4.024
  742    HB3  MET  98           HB1      MET  98  16.986 -12.685   2.379
  743    HG2  MET  98           HG2      MET  98  19.353 -12.754   1.818
  744    HG3  MET  98           HG1      MET  98  19.739 -13.222   3.473
  745    HE1  MET  98           HE1      MET  98  16.669 -14.431   1.303
  746    HE2  MET  98           HE2      MET  98  17.341 -15.875   0.546
  747    HE3  MET  98           HE3      MET  98  17.975 -14.284   0.130
  748    H    ALA  99           HN       ALA  99  16.613 -10.488   1.572
  749    HA   ALA  99           HA       ALA  99  18.825  -9.127   0.235
  750    HB1  ALA  99           HB1      ALA  99  17.332  -9.023  -1.705
  751    HB2  ALA  99           HB2      ALA  99  16.031  -9.733  -0.749
  752    HB3  ALA  99           HB3      ALA  99  17.479 -10.675  -1.107
  753    H    GLU 100           HN       GLU 100  18.446  -7.738   2.335
  754    HA   GLU 100           HA       GLU 100  16.164  -6.042   2.400
  755    HB2  GLU 100           HB2      GLU 100  17.378  -6.677   4.437
  756    HB3  GLU 100           HB1      GLU 100  18.796  -5.806   3.866
  757    HG2  GLU 100           HG2      GLU 100  17.471  -3.718   3.894
  758    HG3  GLU 100           HG1      GLU 100  16.125  -4.622   4.584
  759    H    HIS 101           HN       HIS 101  15.833  -4.516   0.954
  760    HA   HIS 101           HA       HIS 101  17.982  -2.996  -0.227
  761    HD1  HIS 101           HD1      HIS 101  13.986  -1.138   0.448
  762    HD2  HIS 101           HD2      HIS 101  14.107  -4.999  -1.084
  763    HE1  HIS 101           HE1      HIS 101  11.720  -2.123   0.906
  764    HE2  HIS 101           HE2      HIS 101  11.730  -4.328  -0.314
  765    HB2  HIS 101           HB2      HIS 101  15.998  -1.622  -1.154
  766    HB3  HIS 101           HB1      HIS 101  16.192  -3.275  -1.724
  767    H    ILE 102           HN       ILE 102  19.026  -1.670   1.098
  768    HA   ILE 102           HA       ILE 102  17.753  -0.591   3.438
  769    HB   ILE 102           HB       ILE 102  19.929   0.440   3.929
  770   HG12  ILE 102          HG12      ILE 102  20.846  -0.823   1.334
  771   HG13  ILE 102          HG11      ILE 102  20.596   0.903   1.580
  772   HG21  ILE 102          HG21      ILE 102  21.202  -1.656   4.180
  773   HG22  ILE 102          HG22      ILE 102  20.046  -2.457   3.116
  774   HG23  ILE 102          HG23      ILE 102  19.515  -1.818   4.669
  775   HD11  ILE 102          HD11      ILE 102  22.597  -0.810   3.032
  776   HD12  ILE 102          HD12      ILE 102  22.355   0.922   3.263
  777   HD13  ILE 102          HD13      ILE 102  22.947   0.313   1.718
  778    HA   PRO 103           HA       PRO 103  16.718   3.412   1.733
  779    HB2  PRO 103           HB2      PRO 103  16.165   4.612   4.102
  780    HB3  PRO 103           HB1      PRO 103  15.046   3.480   3.334
  781    HG2  PRO 103           HG2      PRO 103  16.988   3.007   5.562
  782    HG3  PRO 103           HG1      PRO 103  15.315   2.443   5.397
  783    HD2  PRO 103           HD2      PRO 103  17.464   0.874   4.864
  784    HD3  PRO 103           HD1      PRO 103  15.910   0.696   4.026
  785    HA   PRO 104           HA       PRO 104  20.620   5.494   1.979
  786    HB2  PRO 104           HB2      PRO 104  18.982   7.973   1.813
  787    HB3  PRO 104           HB1      PRO 104  20.332   7.449   0.803
  788    HG2  PRO 104           HG2      PRO 104  17.836   7.332  -0.103
  789    HG3  PRO 104           HG1      PRO 104  19.000   6.045  -0.477
  790    HD2  PRO 104           HD2      PRO 104  16.760   6.064   1.504
  791    HD3  PRO 104           HD1      PRO 104  17.340   4.744   0.468
  792    H    ALA 105           HN       ALA 105  21.586   5.544   3.913
  793    HA   ALA 105           HA       ALA 105  20.335   6.573   6.269
  794    HB1  ALA 105           HB1      ALA 105  21.878   4.688   6.384
  795    HB2  ALA 105           HB2      ALA 105  22.454   6.032   7.370
  796    HB3  ALA 105           HB3      ALA 105  23.190   5.713   5.799
  797    HA   PRO 106           HA       PRO 106  21.899  10.703   5.624
  798    HB2  PRO 106           HB2      PRO 106  20.395  11.898   7.503
  799    HB3  PRO 106           HB1      PRO 106  19.710  11.335   5.977
  800    HG2  PRO 106           HG2      PRO 106  19.456  10.192   8.691
  801    HG3  PRO 106           HG1      PRO 106  18.347  10.084   7.315
  802    HD2  PRO 106           HD2      PRO 106  20.222   8.130   8.194
  803    HD3  PRO 106           HD1      PRO 106  19.207   8.073   6.741
  804    H    ASN 107           HN       ASN 107  23.830  11.350   6.362
  805    HA   ASN 107           HA       ASN 107  24.824  10.585   8.939
  806    HB2  ASN 107           HB2      ASN 107  26.349  10.808   7.025
  807    HB3  ASN 107           HB1      ASN 107  25.970  12.525   6.915
  808   HD21  ASN 107          HD21      ASN 107  28.043  13.210   7.271
  809   HD22  ASN 107          HD22      ASN 107  28.842  13.046   8.798
  810    H    TRP 108           HN       TRP 108  23.923  11.486  10.667
  811    HA   TRP 108           HA       TRP 108  24.273  14.188  11.331
  812    HD1  TRP 108           HD1      TRP 108  19.833  14.683  12.170
  813    HE1  TRP 108           HE1      TRP 108  19.768  16.975  13.334
  814    HE3  TRP 108           HE3      TRP 108  24.372  16.489  10.655
  815    HZ2  TRP 108           HZ2      TRP 108  21.422  19.247  13.579
  816    HZ3  TRP 108           HZ3      TRP 108  25.054  18.734  11.401
  817    HH2  TRP 108           HH2      TRP 108  23.606  20.080  12.832
  818    HB2  TRP 108           HB2      TRP 108  22.463  14.537   9.661
  819    HB3  TRP 108           HB1      TRP 108  21.418  13.471  10.591
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -1.185  27.219   7.294
    2    H2   GLY   1           HT2      GLY   1  -2.466  27.961   8.123
    3    H3   GLY   1           HT3      GLY   1  -2.441  27.961   6.428
    4    HA2  GLY   1           HA1      GLY   1  -4.023  26.345   7.258
    5    HA3  GLY   1           HA2      GLY   1  -2.711  25.576   6.375
    6    H    HIS   2           HN       HIS   2  -4.487  24.470   8.437
    7    HA   HIS   2           HA       HIS   2  -2.610  23.939  10.627
    8    HD1  HIS   2           HD1      HIS   2  -6.797  25.286  11.088
    9    HD2  HIS   2           HD2      HIS   2  -3.194  24.776  13.113
   10    HE1  HIS   2           HE1      HIS   2  -6.729  27.103  12.831
   11    HE2  HIS   2           HE2      HIS   2  -4.493  26.851  13.967
   12    HB2  HIS   2           HB2      HIS   2  -5.540  23.354  10.244
   13    HB3  HIS   2           HB1      HIS   2  -4.609  22.570  11.513
   14    H    MET   3           HN       MET   3  -4.630  22.099   8.342
   15    HA   MET   3           HA       MET   3  -3.007  19.737   8.953
   16    HB2  MET   3           HB2      MET   3  -5.719  20.031   7.663
   17    HB3  MET   3           HB1      MET   3  -4.859  18.502   7.789
   18    HG2  MET   3           HG2      MET   3  -5.715  20.215  10.108
   19    HG3  MET   3           HG1      MET   3  -6.553  18.777   9.531
   20    HE1  MET   3           HE1      MET   3  -5.655  19.201  12.530
   21    HE2  MET   3           HE2      MET   3  -4.966  17.625  12.930
   22    HE3  MET   3           HE3      MET   3  -6.453  17.726  11.986
   23    H    SER   4           HN       SER   4  -1.925  18.607   7.445
   24    HA   SER   4           HA       SER   4  -2.237  19.344   4.632
   25    HG   SER   4           HG       SER   4  -0.428  19.877   3.366
   26    HB2  SER   4           HB2      SER   4  -0.211  20.514   5.640
   27    HB3  SER   4           HB1      SER   4   0.494  18.915   5.874
   28    H    GLY   5           HN       GLY   5  -3.478  17.411   4.554
   29    HA2  GLY   5           HA2      GLY   5  -1.971  14.925   5.059
   30    HA3  GLY   5           HA1      GLY   5  -3.723  15.056   5.013
   31    H    PHE   6           HN       PHE   6  -3.171  13.108   3.581
   32    HA   PHE   6           HA       PHE   6  -2.500  13.950   0.854
   33    HD1  PHE   6           HD1      PHE   6  -0.075  12.613  -0.074
   34    HD2  PHE   6           HD2      PHE   6  -1.181  11.488   3.879
   35    HE1  PHE   6           HE1      PHE   6   2.267  12.845   0.647
   36    HE2  PHE   6           HE2      PHE   6   1.156  11.718   4.607
   37    HZ   PHE   6           HZ       PHE   6   2.885  12.397   2.987
   38    HB2  PHE   6           HB2      PHE   6  -2.692  11.173   2.054
   39    HB3  PHE   6           HB1      PHE   6  -2.218  11.537   0.397
   40    H    LYS   7           HN       LYS   7  -4.352  14.793   0.058
   41    HA   LYS   7           HA       LYS   7  -6.861  13.360   0.373
   42    HB2  LYS   7           HB2      LYS   7  -7.806  15.320  -0.877
   43    HB3  LYS   7           HB1      LYS   7  -7.006  15.731   0.631
   44    HG2  LYS   7           HG2      LYS   7  -4.971  16.311  -0.730
   45    HG3  LYS   7           HG1      LYS   7  -5.979  16.129  -2.166
   46    HD2  LYS   7           HD2      LYS   7  -5.916  18.452  -1.567
   47    HD3  LYS   7           HD1      LYS   7  -7.531  17.827  -1.222
   48    HE2  LYS   7           HE2      LYS   7  -6.865  17.540   1.147
   49    HE3  LYS   7           HE1      LYS   7  -5.310  18.276   0.769
   50    HZ1  LYS   7           HZ1      LYS   7  -7.974  19.565   0.567
   51    HZ2  LYS   7           HZ2      LYS   7  -6.525  20.282   0.060
   52    HZ3  LYS   7           HZ3      LYS   7  -6.763  19.914   1.700
   53    H    HIS   8           HN       HIS   8  -5.604  11.598  -0.832
   54    HA   HIS   8           HA       HIS   8  -5.058  10.401  -2.687
   55    HD1  HIS   8           HD1      HIS   8  -9.195  11.581  -1.698
   56    HD2  HIS   8           HD2      HIS   8  -8.073  12.076  -5.677
   57    HE1  HIS   8           HE1      HIS   8 -10.845  13.200  -2.685
   58    HE2  HIS   8           HE2      HIS   8  -9.999  13.666  -5.009
   59    HB2  HIS   8           HB2      HIS   8  -6.974   9.941  -4.156
   60    HB3  HIS   8           HB1      HIS   8  -7.428   9.927  -2.461
   61    H    VAL   9           HN       VAL   9  -3.438  12.260  -3.105
   62    HA   VAL   9           HA       VAL   9  -4.097  13.908  -5.401
   63    HB   VAL   9           HB       VAL   9  -1.859  14.884  -5.084
   64   HG11  VAL   9          HG11      VAL   9  -3.733  15.834  -3.870
   65   HG12  VAL   9          HG12      VAL   9  -2.267  15.917  -2.892
   66   HG13  VAL   9          HG13      VAL   9  -3.482  14.686  -2.554
   67   HG21  VAL   9          HG21      VAL   9  -0.478  14.248  -3.170
   68   HG22  VAL   9          HG22      VAL   9  -0.687  12.894  -4.281
   69   HG23  VAL   9          HG23      VAL   9  -1.614  12.954  -2.781
   70    H    SER  10           HN       SER  10  -3.687  10.911  -5.374
   71    HA   SER  10           HA       SER  10  -2.841   9.219  -6.541
   72    HG   SER  10           HG       SER  10  -1.895  12.251  -8.323
   73    HB2  SER  10           HB2      SER  10  -2.297   9.484  -8.823
   74    HB3  SER  10           HB1      SER  10  -3.547  10.668  -8.463
   75    H    HIS  11           HN       HIS  11  -0.541  11.909  -6.394
   76    HA   HIS  11           HA       HIS  11   1.687  10.092  -6.050
   77    HD1  HIS  11           HD1      HIS  11   3.710  13.674  -4.432
   78    HD2  HIS  11           HD2      HIS  11   4.232  10.533  -7.101
   79    HE1  HIS  11           HE1      HIS  11   6.164  13.144  -4.379
   80    HE2  HIS  11           HE2      HIS  11   6.482  11.426  -6.202
   81    HB2  HIS  11           HB2      HIS  11   1.843  12.379  -7.143
   82    HB3  HIS  11           HB1      HIS  11   1.613  13.072  -5.544
   83    H    VAL  12           HN       VAL  12   0.006   9.235  -4.352
   84    HA   VAL  12           HA       VAL  12  -0.239  10.493  -1.821
   85    HB   VAL  12           HB       VAL  12  -0.555   7.573  -2.442
   86   HG11  VAL  12          HG11      VAL  12  -2.216   7.638  -0.645
   87   HG12  VAL  12          HG12      VAL  12  -1.847   9.345  -0.378
   88   HG13  VAL  12          HG13      VAL  12  -0.616   8.115  -0.078
   89   HG21  VAL  12          HG21      VAL  12  -1.796   8.851  -4.094
   90   HG22  VAL  12          HG22      VAL  12  -2.553   9.798  -2.811
   91   HG23  VAL  12          HG23      VAL  12  -2.898   8.074  -2.956
   92    H    GLY  13           HN       GLY  13   2.313  10.838  -1.927
   93    HA2  GLY  13           HA2      GLY  13   4.309  10.455  -0.864
   94    HA3  GLY  13           HA1      GLY  13   3.447   9.340   0.186
   95    H    TRP  14           HN       TRP  14   3.080   8.591  -3.063
   96    HA   TRP  14           HA       TRP  14   4.953   6.360  -2.765
   97    HD1  TRP  14           HD1      TRP  14   4.445   3.542  -3.425
   98    HE1  TRP  14           HE1      TRP  14   4.955   2.131  -5.517
   99    HE3  TRP  14           HE3      TRP  14   2.654   6.729  -6.990
  100    HZ2  TRP  14           HZ2      TRP  14   4.623   2.348  -8.319
  101    HZ3  TRP  14           HZ3      TRP  14   2.783   6.057  -9.352
  102    HH2  TRP  14           HH2      TRP  14   3.748   3.911 -10.001
  103    HB2  TRP  14           HB2      TRP  14   2.673   5.663  -3.136
  104    HB3  TRP  14           HB1      TRP  14   2.532   6.714  -4.542
  105    H    ASP  15           HN       ASP  15   6.672   6.154  -4.015
  106    HA   ASP  15           HA       ASP  15   6.890   7.865  -6.411
  107    HB2  ASP  15           HB2      ASP  15   8.609   7.939  -4.364
  108    HB3  ASP  15           HB1      ASP  15   9.281   6.547  -5.206
  109    HA   PRO  16           HA       PRO  16   6.195   4.427  -8.985
  110    HB2  PRO  16           HB2      PRO  16   8.593   5.388 -10.483
  111    HB3  PRO  16           HB1      PRO  16   6.982   4.969 -11.080
  112    HG2  PRO  16           HG2      PRO  16   7.722   7.517 -10.774
  113    HG3  PRO  16           HG1      PRO  16   6.067   6.986 -10.420
  114    HD2  PRO  16           HD2      PRO  16   8.257   7.738  -8.552
  115    HD3  PRO  16           HD1      PRO  16   6.498   7.866  -8.351
  116    H    GLN  17           HN       GLN  17   9.726   4.922  -8.747
  117    HA   GLN  17           HA       GLN  17  10.123   2.033  -8.907
  118    HB2  GLN  17           HB2      GLN  17  11.394   3.623 -10.311
  119    HB3  GLN  17           HB1      GLN  17  12.132   4.275  -8.854
  120    HG2  GLN  17           HG2      GLN  17  13.622   2.731  -9.982
  121    HG3  GLN  17           HG1      GLN  17  13.149   2.119  -8.399
  122   HE21  GLN  17          HE21      GLN  17  11.902   0.319  -8.242
  123   HE22  GLN  17          HE22      GLN  17  11.596  -0.737  -9.580
  124    H    ASN  18           HN       ASN  18  10.156   4.552  -6.565
  125    HA   ASN  18           HA       ASN  18  12.011   3.168  -4.807
  126    HB2  ASN  18           HB2      ASN  18  12.178   5.607  -5.106
  127    HB3  ASN  18           HB1      ASN  18  10.560   5.794  -4.445
  128   HD21  ASN  18          HD21      ASN  18  11.240   7.067  -2.784
  129   HD22  ASN  18          HD22      ASN  18  12.148   6.472  -1.436
  130    H    GLY  19           HN       GLY  19   8.590   3.845  -5.059
  131    HA2  GLY  19           HA2      GLY  19   6.975   2.409  -4.068
  132    HA3  GLY  19           HA1      GLY  19   8.133   2.034  -2.799
  133    H    PHE  20           HN       PHE  20   6.254   2.499  -1.421
  134    HA   PHE  20           HA       PHE  20   5.363   5.216  -1.121
  135    HD1  PHE  20           HD2      PHE  20   2.814   5.631  -0.139
  136    HD2  PHE  20           HD1      PHE  20   3.577   1.528  -0.975
  137    HE1  PHE  20           HE2      PHE  20   0.667   5.479  -1.326
  138    HE2  PHE  20           HE1      PHE  20   1.430   1.369  -2.166
  139    HZ   PHE  20           HZ       PHE  20  -0.112   3.339  -2.185
  140    HB2  PHE  20           HB2      PHE  20   4.990   2.683   0.455
  141    HB3  PHE  20           HB1      PHE  20   4.522   4.229   1.143
  142    H    ASP  21           HN       ASP  21   6.218   6.773   0.151
  143    HA   ASP  21           HA       ASP  21   8.703   6.244   1.508
  144    HB2  ASP  21           HB2      ASP  21   8.483   8.412   0.463
  145    HB3  ASP  21           HB1      ASP  21   7.002   8.741   1.357
  146    H    VAL  22           HN       VAL  22   8.782   5.329   3.399
  147    HA   VAL  22           HA       VAL  22   6.502   4.985   5.050
  148    HB   VAL  22           HB       VAL  22   8.205   4.043   6.687
  149   HG11  VAL  22          HG11      VAL  22   8.487   2.003   5.360
  150   HG12  VAL  22          HG12      VAL  22   8.053   2.894   3.903
  151   HG13  VAL  22          HG13      VAL  22   6.861   2.662   5.183
  152   HG21  VAL  22          HG21      VAL  22  10.151   5.295   5.770
  153   HG22  VAL  22          HG22      VAL  22  10.033   4.318   4.302
  154   HG23  VAL  22          HG23      VAL  22  10.415   3.553   5.845
  155    H    ASN  23           HN       ASN  23   8.646   7.560   4.739
  156    HA   ASN  23           HA       ASN  23   8.350   8.516   7.452
  157    HB2  ASN  23           HB2      ASN  23  10.366   9.187   6.402
  158    HB3  ASN  23           HB1      ASN  23   9.529   9.707   4.945
  159   HD21  ASN  23          HD21      ASN  23   8.684  11.722   4.836
  160   HD22  ASN  23          HD22      ASN  23   8.889  12.920   6.069
  161    H    ASN  24           HN       ASN  24   7.060   9.371   4.251
  162    HA   ASN  24           HA       ASN  24   5.012  10.998   5.580
  163    HB2  ASN  24           HB2      ASN  24   6.031  10.928   2.754
  164    HB3  ASN  24           HB1      ASN  24   4.490  11.678   3.143
  165   HD21  ASN  24          HD21      ASN  24   5.453  12.574   5.771
  166   HD22  ASN  24          HD22      ASN  24   6.497  13.922   5.454
  167    H    LEU  25           HN       LEU  25   4.770   8.218   5.821
  168    HA   LEU  25           HA       LEU  25   2.806   7.296   3.952
  169    HG   LEU  25           HG       LEU  25   5.019   5.565   4.474
  170    HB2  LEU  25           HB2      LEU  25   3.903   6.277   6.532
  171    HB3  LEU  25           HB1      LEU  25   2.386   5.620   5.949
  172   HD11  LEU  25          HD11      LEU  25   4.829   4.073   6.469
  173   HD12  LEU  25          HD12      LEU  25   5.053   3.227   4.938
  174   HD13  LEU  25          HD13      LEU  25   3.454   3.292   5.682
  175   HD21  LEU  25          HD21      LEU  25   3.906   4.234   2.829
  176   HD22  LEU  25          HD22      LEU  25   3.006   5.738   3.025
  177   HD23  LEU  25          HD23      LEU  25   2.406   4.249   3.758
  178    H    ASP  26           HN       ASP  26   0.758   7.805   3.895
  179    HA   ASP  26           HA       ASP  26  -0.565   9.533   5.618
  180    HB2  ASP  26           HB2      ASP  26  -1.415   9.071   3.390
  181    HB3  ASP  26           HB1      ASP  26  -1.680   7.380   3.802
  182    HA   PRO  27           HA       PRO  27  -1.045   7.412   9.410
  183    HB2  PRO  27           HB2      PRO  27  -3.702   8.769   9.397
  184    HB3  PRO  27           HB1      PRO  27  -2.457   8.735  10.653
  185    HG2  PRO  27           HG2      PRO  27  -2.782  10.882   9.116
  186    HG3  PRO  27           HG1      PRO  27  -1.164  10.339   9.596
  187    HD2  PRO  27           HD2      PRO  27  -2.540  10.100   6.968
  188    HD3  PRO  27           HD1      PRO  27  -0.816  10.309   7.327
  189    H    ASP  28           HN       ASP  28  -3.727   7.302   7.079
  190    HA   ASP  28           HA       ASP  28  -4.909   5.054   8.502
  191    HB2  ASP  28           HB2      ASP  28  -5.765   6.566   6.032
  192    HB3  ASP  28           HB1      ASP  28  -6.612   5.140   6.625
  193    H    LEU  29           HN       LEU  29  -3.327   5.695   5.377
  194    HA   LEU  29           HA       LEU  29  -3.179   3.133   4.378
  195    HG   LEU  29           HG       LEU  29  -2.442   3.909   2.022
  196    HB2  LEU  29           HB2      LEU  29  -1.391   5.515   4.327
  197    HB3  LEU  29           HB1      LEU  29  -0.766   3.997   3.715
  198   HD11  LEU  29          HD11      LEU  29  -3.626   6.364   3.274
  199   HD12  LEU  29          HD12      LEU  29  -4.345   4.753   3.211
  200   HD13  LEU  29          HD13      LEU  29  -4.110   5.670   1.725
  201   HD21  LEU  29          HD21      LEU  29  -1.276   6.669   2.234
  202   HD22  LEU  29          HD22      LEU  29  -1.921   5.948   0.757
  203   HD23  LEU  29          HD23      LEU  29  -0.491   5.256   1.527
  204    H    ARG  30           HN       ARG  30  -1.002   4.708   6.687
  205    HA   ARG  30           HA       ARG  30   0.806   2.667   7.134
  206    HE   ARG  30           HE       ARG  30  -0.109   3.816  11.032
  207    HB2  ARG  30           HB2      ARG  30   0.742   5.082   7.985
  208    HB3  ARG  30           HB1      ARG  30  -0.217   4.471   9.321
  209    HG2  ARG  30           HG2      ARG  30   2.546   3.492   8.622
  210    HG3  ARG  30           HG1      ARG  30   2.212   4.756   9.800
  211    HD2  ARG  30           HD2      ARG  30   1.373   1.868   9.925
  212    HD3  ARG  30           HD1      ARG  30   2.542   2.689  10.957
  213   HH11  ARG  30          HH11      ARG  30   2.136   1.564  12.491
  214   HH12  ARG  30          HH12      ARG  30   1.183   1.351  13.929
  215   HH21  ARG  30          HH21      ARG  30  -1.369   3.544  12.896
  216   HH22  ARG  30          HH22      ARG  30  -0.831   2.464  14.153
  217    H    SER  31           HN       SER  31  -2.334   3.250   8.667
  218    HA   SER  31           HA       SER  31  -2.223   1.143  10.536
  219    HG   SER  31           HG       SER  31  -5.661   1.710  11.220
  220    HB2  SER  31           HB2      SER  31  -3.849   3.113  10.520
  221    HB3  SER  31           HB1      SER  31  -4.741   2.245   9.277
  222    H    LEU  32           HN       LEU  32  -3.682   1.367   7.301
  223    HA   LEU  32           HA       LEU  32  -4.816  -1.205   7.305
  224    HG   LEU  32           HG       LEU  32  -4.158  -1.768   4.253
  225    HB2  LEU  32           HB2      LEU  32  -5.592   0.436   5.737
  226    HB3  LEU  32           HB1      LEU  32  -3.999   0.564   5.010
  227   HD11  LEU  32          HD11      LEU  32  -6.183  -3.021   4.450
  228   HD12  LEU  32          HD12      LEU  32  -6.995  -1.670   5.243
  229   HD13  LEU  32          HD13      LEU  32  -5.676  -2.511   6.060
  230   HD21  LEU  32          HD21      LEU  32  -5.869  -1.430   2.526
  231   HD22  LEU  32          HD22      LEU  32  -4.829  -0.020   2.724
  232   HD23  LEU  32          HD23      LEU  32  -6.457  -0.015   3.402
  233    H    PHE  33           HN       PHE  33  -1.808  -0.020   5.870
  234    HA   PHE  33           HA       PHE  33  -1.167  -2.422   4.562
  235    HD1  PHE  33           HD2      PHE  33  -1.916  -1.143   3.235
  236    HD2  PHE  33           HD1      PHE  33   1.414   1.475   3.841
  237    HE1  PHE  33           HE2      PHE  33  -2.765   0.353   1.488
  238    HE2  PHE  33           HE1      PHE  33   0.554   2.955   2.093
  239    HZ   PHE  33           HZ       PHE  33  -1.455   2.495   0.954
  240    HB2  PHE  33           HB2      PHE  33   0.744  -0.280   5.514
  241    HB3  PHE  33           HB1      PHE  33   1.083  -1.502   4.295
  242    H    SER  34           HN       SER  34  -0.581  -1.307   7.822
  243    HA   SER  34           HA       SER  34   1.218  -3.308   8.641
  244    HG   SER  34           HG       SER  34   1.474  -3.069  11.202
  245    HB2  SER  34           HB2      SER  34   0.818  -1.325   9.979
  246    HB3  SER  34           HB1      SER  34  -0.864  -1.786  10.224
  247    H    ARG  35           HN       ARG  35  -2.314  -3.152   8.605
  248    HA   ARG  35           HA       ARG  35  -2.830  -5.699   9.700
  249    HE   ARG  35           HE       ARG  35  -6.235  -2.632  11.745
  250    HB2  ARG  35           HB2      ARG  35  -4.395  -3.838   7.945
  251    HB3  ARG  35           HB1      ARG  35  -5.018  -5.429   8.356
  252    HG2  ARG  35           HG2      ARG  35  -5.148  -4.911  10.631
  253    HG3  ARG  35           HG1      ARG  35  -4.145  -3.472  10.438
  254    HD2  ARG  35           HD2      ARG  35  -5.876  -2.376   9.177
  255    HD3  ARG  35           HD1      ARG  35  -6.846  -3.845   9.154
  256   HH11  ARG  35          HH11      ARG  35  -8.551  -3.355   9.212
  257   HH12  ARG  35          HH12      ARG  35  -9.930  -2.918  10.171
  258   HH21  ARG  35          HH21      ARG  35  -8.073  -2.041  13.012
  259   HH22  ARG  35          HH22      ARG  35  -9.658  -2.169  12.308
  260    H    ALA  36           HN       ALA  36  -2.272  -4.538   6.442
  261    HA   ALA  36           HA       ALA  36  -3.022  -6.985   5.157
  262    HB1  ALA  36           HB1      ALA  36  -2.612  -5.885   3.127
  263    HB2  ALA  36           HB2      ALA  36  -1.428  -4.799   3.862
  264    HB3  ALA  36           HB3      ALA  36  -3.143  -4.600   4.217
  265    H    GLY  37           HN       GLY  37  -0.230  -5.975   6.765
  266    HA2  GLY  37           HA2      GLY  37   1.495  -7.526   7.284
  267    HA3  GLY  37           HA1      GLY  37   1.169  -8.357   5.771
  268    H    ILE  38           HN       ILE  38   1.091  -5.373   4.759
  269    HA   ILE  38           HA       ILE  38   3.615  -5.455   3.499
  270    HB   ILE  38           HB       ILE  38   1.935  -2.974   3.773
  271   HG12  ILE  38          HG12      ILE  38   1.510  -5.006   1.597
  272   HG13  ILE  38          HG11      ILE  38   0.630  -5.133   3.120
  273   HG21  ILE  38          HG21      ILE  38   3.697  -4.054   1.576
  274   HG22  ILE  38          HG22      ILE  38   4.108  -2.755   2.695
  275   HG23  ILE  38          HG23      ILE  38   2.805  -2.532   1.526
  276   HD11  ILE  38          HD11      ILE  38  -0.677  -3.993   1.413
  277   HD12  ILE  38          HD12      ILE  38   0.593  -2.777   1.250
  278   HD13  ILE  38          HD13      ILE  38  -0.306  -2.915   2.761
  279    H    SER  39           HN       SER  39   5.426  -5.249   4.675
  280    HA   SER  39           HA       SER  39   5.564  -3.326   6.851
  281    HG   SER  39           HG       SER  39   5.448  -5.945   6.878
  282    HB2  SER  39           HB2      SER  39   7.641  -5.268   5.866
  283    HB3  SER  39           HB1      SER  39   7.697  -4.363   7.374
  284    H    GLU  40           HN       GLU  40   7.904  -2.233   6.950
  285    HA   GLU  40           HA       GLU  40   7.959  -0.109   5.239
  286    HB2  GLU  40           HB2      GLU  40   9.299  -0.086   7.227
  287    HB3  GLU  40           HB1      GLU  40  10.272  -1.435   6.653
  288    HG2  GLU  40           HG2      GLU  40  11.067   0.017   4.793
  289    HG3  GLU  40           HG1      GLU  40  10.212   1.361   5.547
  290    H    ALA  41           HN       ALA  41   9.974  -3.035   4.890
  291    HA   ALA  41           HA       ALA  41  11.274  -2.224   2.542
  292    HB1  ALA  41           HB1      ALA  41  10.695  -5.033   3.476
  293    HB2  ALA  41           HB2      ALA  41  12.079  -4.052   3.956
  294    HB3  ALA  41           HB3      ALA  41  11.904  -4.569   2.278
  295    H    GLN  42           HN       GLN  42   8.256  -3.974   3.021
  296    HA   GLN  42           HA       GLN  42   7.962  -4.684   0.279
  297    HB2  GLN  42           HB2      GLN  42   6.913  -5.776   2.393
  298    HB3  GLN  42           HB1      GLN  42   5.683  -4.532   2.225
  299    HG2  GLN  42           HG2      GLN  42   5.129  -5.329   0.018
  300    HG3  GLN  42           HG1      GLN  42   6.407  -6.541   0.109
  301   HE21  GLN  42          HE21      GLN  42   3.539  -6.901  -0.263
  302   HE22  GLN  42          HE22      GLN  42   3.015  -7.912   1.037
  303    H    LEU  43           HN       LEU  43   6.879  -2.016   2.296
  304    HA   LEU  43           HA       LEU  43   5.215  -0.836   0.305
  305    HG   LEU  43           HG       LEU  43   4.372  -1.126   3.002
  306    HB2  LEU  43           HB2      LEU  43   6.486   0.184   2.823
  307    HB3  LEU  43           HB1      LEU  43   5.666   1.278   1.723
  308   HD11  LEU  43          HD11      LEU  43   4.158   1.799   3.707
  309   HD12  LEU  43          HD12      LEU  43   4.944   0.552   4.676
  310   HD13  LEU  43          HD13      LEU  43   3.202   0.492   4.409
  311   HD21  LEU  43          HD21      LEU  43   3.238   1.173   1.413
  312   HD22  LEU  43          HD22      LEU  43   2.302  -0.105   2.189
  313   HD23  LEU  43          HD23      LEU  43   3.397  -0.494   0.861
  314    H    THR  44           HN       THR  44   8.605  -0.921   0.880
  315    HA   THR  44           HA       THR  44   9.042   1.245  -1.047
  316    HB   THR  44           HB       THR  44  11.489   0.979  -0.336
  317    HG1  THR  44           HG1      THR  44  10.307  -0.331   1.904
  318   HG21  THR  44          HG21      THR  44  10.109   2.852   0.403
  319   HG22  THR  44          HG22      THR  44  11.153   2.310   1.719
  320   HG23  THR  44          HG23      THR  44   9.446   1.871   1.709
  321    H    ASP  45           HN       ASP  45   8.212  -1.665  -1.429
  322    HA   ASP  45           HA       ASP  45  10.270  -2.650  -3.221
  323    HB2  ASP  45           HB2      ASP  45   8.875  -4.237  -1.918
  324    HB3  ASP  45           HB1      ASP  45   7.448  -3.654  -2.764
  325    H    ALA  46           HN       ALA  46   9.831  -3.007  -5.527
  326    HA   ALA  46           HA       ALA  46   8.788  -0.611  -6.668
  327    HB1  ALA  46           HB1      ALA  46   9.624  -3.064  -8.191
  328    HB2  ALA  46           HB2      ALA  46  10.769  -1.899  -7.526
  329    HB3  ALA  46           HB3      ALA  46   9.601  -1.386  -8.745
  330    H    GLU  47           HN       GLU  47   7.820  -4.054  -7.119
  331    HA   GLU  47           HA       GLU  47   5.542  -3.170  -8.651
  332    HB2  GLU  47           HB2      GLU  47   5.193  -5.373  -9.264
  333    HB3  GLU  47           HB1      GLU  47   6.930  -5.326  -9.027
  334    HG2  GLU  47           HG2      GLU  47   6.692  -6.403  -6.868
  335    HG3  GLU  47           HG1      GLU  47   4.939  -6.360  -7.019
  336    H    THR  48           HN       THR  48   6.154  -4.494  -5.447
  337    HA   THR  48           HA       THR  48   3.559  -5.015  -4.659
  338    HB   THR  48           HB       THR  48   5.753  -3.878  -2.906
  339    HG1  THR  48           HG1      THR  48   6.565  -5.705  -3.871
  340   HG21  THR  48          HG21      THR  48   3.355  -5.600  -2.255
  341   HG22  THR  48          HG22      THR  48   3.531  -3.891  -1.859
  342   HG23  THR  48          HG23      THR  48   4.597  -5.082  -1.112
  343    H    SER  49           HN       SER  49   5.347  -1.953  -4.097
  344    HA   SER  49           HA       SER  49   3.216  -0.657  -2.817
  345    HG   SER  49           HG       SER  49   6.577   0.095  -4.463
  346    HB2  SER  49           HB2      SER  49   4.504   1.408  -3.200
  347    HB3  SER  49           HB1      SER  49   5.534   0.095  -2.625
  348    H    LYS  50           HN       LYS  50   4.222  -0.657  -6.199
  349    HA   LYS  50           HA       LYS  50   2.484   1.307  -7.171
  350    HB2  LYS  50           HB2      LYS  50   4.397   0.320  -8.420
  351    HB3  LYS  50           HB1      LYS  50   3.479  -1.166  -8.608
  352    HG2  LYS  50           HG2      LYS  50   1.793   0.026  -9.906
  353    HG3  LYS  50           HG1      LYS  50   2.699   1.529  -9.709
  354    HD2  LYS  50           HD2      LYS  50   4.620   0.455 -10.854
  355    HD3  LYS  50           HD1      LYS  50   3.617  -0.968 -11.131
  356    HE2  LYS  50           HE2      LYS  50   2.039   0.408 -12.402
  357    HE3  LYS  50           HE1      LYS  50   3.062   1.818 -12.138
  358    HZ1  LYS  50           HZ1      LYS  50   4.821   0.749 -13.376
  359    HZ2  LYS  50           HZ2      LYS  50   3.415   0.813 -14.318
  360    HZ3  LYS  50           HZ3      LYS  50   3.878  -0.646 -13.583
  361    H    LEU  51           HN       LEU  51   2.009  -2.132  -6.590
  362    HA   LEU  51           HA       LEU  51  -0.645  -2.034  -7.751
  363    HG   LEU  51           HG       LEU  51   1.650  -3.500  -8.817
  364    HB2  LEU  51           HB2      LEU  51   0.945  -4.282  -6.539
  365    HB3  LEU  51           HB1      LEU  51  -0.685  -4.467  -7.168
  366   HD11  LEU  51          HD11      LEU  51   1.805  -5.871  -7.943
  367   HD12  LEU  51          HD12      LEU  51   1.874  -5.660  -9.696
  368   HD13  LEU  51          HD13      LEU  51   0.382  -6.215  -8.934
  369   HD21  LEU  51          HD21      LEU  51  -1.127  -4.407  -9.565
  370   HD22  LEU  51          HD22      LEU  51   0.153  -3.976 -10.698
  371   HD23  LEU  51          HD23      LEU  51  -0.519  -2.750  -9.623
  372    H    ILE  52           HN       ILE  52   0.805  -1.966  -4.547
  373    HA   ILE  52           HA       ILE  52  -1.571  -2.310  -3.085
  374    HB   ILE  52           HB       ILE  52   0.696  -0.407  -2.480
  375   HG12  ILE  52          HG12      ILE  52   0.170  -3.228  -1.528
  376   HG13  ILE  52          HG11      ILE  52   1.446  -2.730  -2.638
  377   HG21  ILE  52          HG21      ILE  52  -0.154  -0.578  -0.146
  378   HG22  ILE  52          HG22      ILE  52  -1.563  -1.438  -0.772
  379   HG23  ILE  52          HG23      ILE  52  -1.261   0.233  -1.255
  380   HD11  ILE  52          HD11      ILE  52   1.163  -2.062   0.273
  381   HD12  ILE  52          HD12      ILE  52   2.323  -1.269  -0.801
  382   HD13  ILE  52          HD13      ILE  52   2.434  -3.007  -0.512
  383    H    TYR  53           HN       TYR  53  -0.112   0.606  -4.520
  384    HA   TYR  53           HA       TYR  53  -2.285   2.287  -3.839
  385    HD1  TYR  53           HD2      TYR  53  -2.169   4.641  -3.574
  386    HD2  TYR  53           HD1      TYR  53  -1.079   4.141  -7.655
  387    HE1  TYR  53           HE2      TYR  53  -3.451   6.654  -4.147
  388    HE2  TYR  53           HE1      TYR  53  -2.366   6.159  -8.246
  389    HH   TYR  53           HH       TYR  53  -4.511   7.378  -7.035
  390    HB2  TYR  53           HB2      TYR  53  -0.090   3.222  -4.444
  391    HB3  TYR  53           HB1      TYR  53  -0.294   2.632  -6.097
  392    H    ASP  54           HN       ASP  54  -1.557   0.278  -6.631
  393    HA   ASP  54           HA       ASP  54  -3.716   0.981  -8.274
  394    HB2  ASP  54           HB2      ASP  54  -1.891  -0.437  -9.057
  395    HB3  ASP  54           HB1      ASP  54  -2.340  -1.695  -7.912
  396    H    PHE  55           HN       PHE  55  -3.475  -1.106  -5.504
  397    HA   PHE  55           HA       PHE  55  -6.082  -2.223  -5.564
  398    HD1  PHE  55           HD1      PHE  55  -6.680  -4.331  -3.613
  399    HD2  PHE  55           HD2      PHE  55  -4.963  -1.070  -1.479
  400    HE1  PHE  55           HE1      PHE  55  -8.133  -4.825  -1.700
  401    HE2  PHE  55           HE2      PHE  55  -6.429  -1.555   0.432
  402    HZ   PHE  55           HZ       PHE  55  -8.009  -3.445   0.328
  403    HB2  PHE  55           HB2      PHE  55  -4.509  -3.360  -4.242
  404    HB3  PHE  55           HB1      PHE  55  -3.951  -1.882  -3.468
  405    H    ILE  56           HN       ILE  56  -4.651   0.535  -3.901
  406    HA   ILE  56           HA       ILE  56  -6.948   1.385  -2.532
  407    HB   ILE  56           HB       ILE  56  -4.534   2.935  -3.481
  408   HG12  ILE  56          HG12      ILE  56  -5.232   1.802  -0.765
  409   HG13  ILE  56          HG11      ILE  56  -4.161   1.020  -1.921
  410   HG21  ILE  56          HG21      ILE  56  -6.382   4.464  -3.058
  411   HG22  ILE  56          HG22      ILE  56  -5.147   4.611  -1.807
  412   HG23  ILE  56          HG23      ILE  56  -6.641   3.733  -1.473
  413   HD11  ILE  56          HD11      ILE  56  -2.637   2.917  -1.780
  414   HD12  ILE  56          HD12      ILE  56  -2.912   2.163  -0.210
  415   HD13  ILE  56          HD13      ILE  56  -3.710   3.685  -0.610
  416    H    GLU  57           HN       GLU  57  -5.610   2.241  -5.678
  417    HA   GLU  57           HA       GLU  57  -7.598   4.061  -6.495
  418    HB2  GLU  57           HB2      GLU  57  -5.604   2.309  -7.878
  419    HB3  GLU  57           HB1      GLU  57  -6.825   3.132  -8.829
  420    HG2  GLU  57           HG2      GLU  57  -4.798   4.413  -7.009
  421    HG3  GLU  57           HG1      GLU  57  -4.774   4.413  -8.772
  422    H    ASP  58           HN       ASP  58  -7.285   0.565  -6.896
  423    HA   ASP  58           HA       ASP  58  -9.564  -0.066  -8.304
  424    HB2  ASP  58           HB2      ASP  58  -7.889  -1.721  -7.616
  425    HB3  ASP  58           HB1      ASP  58  -8.398  -1.556  -5.942
  426    H    GLN  59           HN       GLN  59  -9.272   0.725  -4.880
  427    HA   GLN  59           HA       GLN  59 -12.021   0.284  -4.245
  428    HB2  GLN  59           HB2      GLN  59 -10.044   2.089  -2.838
  429    HB3  GLN  59           HB1      GLN  59 -11.545   1.463  -2.172
  430    HG2  GLN  59           HG2      GLN  59  -9.089  -0.111  -2.896
  431    HG3  GLN  59           HG1      GLN  59  -9.698   0.235  -1.277
  432   HE21  GLN  59          HE21      GLN  59  -9.173  -2.295  -2.643
  433   HE22  GLN  59          HE22      GLN  59 -10.654  -3.182  -2.571
  434    H    GLY  60           HN       GLY  60 -10.235   2.876  -5.654
  435    HA2  GLY  60           HA2      GLY  60 -11.571   4.530  -6.913
  436    HA3  GLY  60           HA1      GLY  60 -12.611   4.625  -5.498
  437    H    GLY  61           HN       GLY  61  -9.706   4.263  -4.173
  438    HA2  GLY  61           HA2      GLY  61  -7.907   6.047  -4.280
  439    HA3  GLY  61           HA1      GLY  61  -9.239   7.167  -4.065
  440    H    LEU  62           HN       LEU  62  -7.648   7.676  -2.245
  441    HA   LEU  62           HA       LEU  62  -7.197   5.939  -0.104
  442    HG   LEU  62           HG       LEU  62  -5.654   8.213  -1.706
  443    HB2  LEU  62           HB2      LEU  62  -7.314   8.953  -0.064
  444    HB3  LEU  62           HB1      LEU  62  -6.571   7.942   1.160
  445   HD11  LEU  62          HD11      LEU  62  -5.178  10.184  -0.365
  446   HD12  LEU  62          HD12      LEU  62  -3.692   9.299  -0.723
  447   HD13  LEU  62          HD13      LEU  62  -4.435   9.174   0.875
  448   HD21  LEU  62          HD21      LEU  62  -4.407   6.679   0.571
  449   HD22  LEU  62          HD22      LEU  62  -3.780   6.827  -1.071
  450   HD23  LEU  62          HD23      LEU  62  -5.287   5.959  -0.777
  451    H    GLU  63           HN       GLU  63  -9.688   8.422  -0.533
  452    HA   GLU  63           HA       GLU  63 -10.849   8.236   1.998
  453    HB2  GLU  63           HB2      GLU  63 -11.847   9.160  -0.674
  454    HB3  GLU  63           HB1      GLU  63 -12.940   9.090   0.700
  455    HG2  GLU  63           HG2      GLU  63 -11.835  11.312   0.226
  456    HG3  GLU  63           HG1      GLU  63 -11.744  10.717   1.881
  457    H    ALA  64           HN       ALA  64 -11.292   6.266  -0.857
  458    HA   ALA  64           HA       ALA  64 -13.679   4.984  -0.002
  459    HB1  ALA  64           HB1      ALA  64 -13.202   3.349  -1.755
  460    HB2  ALA  64           HB2      ALA  64 -11.586   4.029  -1.952
  461    HB3  ALA  64           HB3      ALA  64 -13.005   5.000  -2.345
  462    H    VAL  65           HN       VAL  65 -10.244   4.227   0.284
  463    HA   VAL  65           HA       VAL  65 -10.492   1.717   1.540
  464    HB   VAL  65           HB       VAL  65  -8.302   3.794   1.753
  465   HG11  VAL  65          HG11      VAL  65  -8.277   0.892   2.588
  466   HG12  VAL  65          HG12      VAL  65  -8.180   2.289   3.660
  467   HG13  VAL  65          HG13      VAL  65  -6.867   1.951   2.533
  468   HG21  VAL  65          HG21      VAL  65  -8.576   1.320   0.052
  469   HG22  VAL  65          HG22      VAL  65  -7.135   2.333   0.147
  470   HG23  VAL  65          HG23      VAL  65  -8.634   2.991  -0.507
  471    H    ARG  66           HN       ARG  66 -10.457   5.000   2.763
  472    HA   ARG  66           HA       ARG  66 -10.411   4.407   5.509
  473    HE   ARG  66           HE       ARG  66  -7.948   8.499   6.395
  474    HB2  ARG  66           HB2      ARG  66 -11.417   6.777   3.945
  475    HB3  ARG  66           HB1      ARG  66 -11.483   6.717   5.704
  476    HG2  ARG  66           HG2      ARG  66  -9.079   6.454   5.812
  477    HG3  ARG  66           HG1      ARG  66  -8.986   6.427   4.052
  478    HD2  ARG  66           HD2      ARG  66  -9.471   8.693   3.869
  479    HD3  ARG  66           HD1      ARG  66 -10.198   8.765   5.478
  480   HH11  ARG  66          HH11      ARG  66  -8.211   9.676   3.078
  481   HH12  ARG  66          HH12      ARG  66  -6.568  10.235   3.050
  482   HH21  ARG  66          HH21      ARG  66  -5.868   9.251   6.345
  483   HH22  ARG  66          HH22      ARG  66  -5.202   9.949   4.895
  484    H    GLN  67           HN       GLN  67 -12.974   4.378   3.154
  485    HA   GLN  67           HA       GLN  67 -15.059   4.149   5.126
  486    HB2  GLN  67           HB2      GLN  67 -15.081   3.692   2.144
  487    HB3  GLN  67           HB1      GLN  67 -16.500   3.598   3.178
  488    HG2  GLN  67           HG2      GLN  67 -16.161   5.950   3.818
  489    HG3  GLN  67           HG1      GLN  67 -14.797   6.032   2.706
  490   HE21  GLN  67          HE21      GLN  67 -17.340   7.499   2.754
  491   HE22  GLN  67          HE22      GLN  67 -18.063   7.235   1.205
  492    H    GLU  68           HN       GLU  68 -13.234   1.944   3.025
  493    HA   GLU  68           HA       GLU  68 -14.513  -0.453   3.570
  494    HB2  GLU  68           HB2      GLU  68 -11.585   0.142   3.205
  495    HB3  GLU  68           HB1      GLU  68 -12.269  -1.481   3.199
  496    HG2  GLU  68           HG2      GLU  68 -13.484   0.511   1.410
  497    HG3  GLU  68           HG1      GLU  68 -11.876  -0.072   1.007
  498    H    MET  69           HN       MET  69 -12.044   1.222   5.438
  499    HA   MET  69           HA       MET  69 -11.604  -0.577   7.494
  500    HB2  MET  69           HB2      MET  69 -11.709   2.426   7.487
  501    HB3  MET  69           HB1      MET  69 -11.324   1.519   8.947
  502    HG2  MET  69           HG2      MET  69  -9.500   0.402   7.664
  503    HG3  MET  69           HG1      MET  69  -9.823   1.530   6.348
  504    HE1  MET  69           HE1      MET  69  -7.232   0.830   8.062
  505    HE2  MET  69           HE2      MET  69  -6.436   2.371   8.410
  506    HE3  MET  69           HE3      MET  69  -6.997   2.013   6.773
  507    H    ARG  70           HN       ARG  70 -14.459   1.259   6.810
  508    HA   ARG  70           HA       ARG  70 -15.695   0.299   9.310
  509    HE   ARG  70           HE       ARG  70 -17.838   3.419  10.197
  510    HB2  ARG  70           HB2      ARG  70 -16.512   2.636   7.583
  511    HB3  ARG  70           HB1      ARG  70 -17.300   2.130   9.069
  512    HG2  ARG  70           HG2      ARG  70 -15.207   2.618  10.291
  513    HG3  ARG  70           HG1      ARG  70 -14.521   3.242   8.786
  514    HD2  ARG  70           HD2      ARG  70 -15.422   5.037  10.195
  515    HD3  ARG  70           HD1      ARG  70 -16.274   4.911   8.654
  516   HH11  ARG  70          HH11      ARG  70 -16.435   6.574  10.761
  517   HH12  ARG  70          HH12      ARG  70 -17.677   7.071  11.878
  518   HH21  ARG  70          HH21      ARG  70 -19.479   4.054  11.644
  519   HH22  ARG  70          HH22      ARG  70 -19.421   5.625  12.379
  520    H    ARG  71           HN       ARG  71 -15.400  -0.537   6.232
  521    HA   ARG  71           HA       ARG  71 -18.255  -1.003   5.721
  522    HE   ARG  71           HE       ARG  71 -19.274  -1.420   0.474
  523    HB2  ARG  71           HB2      ARG  71 -17.009   0.296   4.019
  524    HB3  ARG  71           HB1      ARG  71 -15.955  -1.090   3.760
  525    HG2  ARG  71           HG2      ARG  71 -17.938  -2.415   3.118
  526    HG3  ARG  71           HG1      ARG  71 -18.917  -0.957   3.284
  527    HD2  ARG  71           HD2      ARG  71 -17.785   0.104   1.486
  528    HD3  ARG  71           HD1      ARG  71 -16.526  -1.134   1.462
  529   HH11  ARG  71          HH11      ARG  71 -15.984  -2.602   0.702
  530   HH12  ARG  71          HH12      ARG  71 -16.295  -4.015  -0.259
  531   HH21  ARG  71          HH21      ARG  71 -19.673  -3.259  -0.846
  532   HH22  ARG  71          HH22      ARG  71 -18.383  -4.381  -1.151
  533    H    GLN  72           HN       GLN  72 -15.936  -2.819   3.932
  534    HA   GLN  72           HA       GLN  72 -15.453  -5.104   5.314
  535    HB2  GLN  72           HB2      GLN  72 -18.083  -4.985   5.568
  536    HB3  GLN  72           HB1      GLN  72 -18.071  -5.643   3.940
  537    HG2  GLN  72           HG2      GLN  72 -16.573  -6.937   6.194
  538    HG3  GLN  72           HG1      GLN  72 -18.272  -7.275   5.875
  539   HE21  GLN  72          HE21      GLN  72 -15.012  -7.627   4.723
  540   HE22  GLN  72          HE22      GLN  72 -15.353  -8.828   3.531
  541    H1   GLY  73           HT1      GLY  73  -2.191 -11.478   9.143
  542    H2   GLY  73           HT2      GLY  73  -1.784 -12.763  10.172
  543    H3   GLY  73           HT3      GLY  73  -3.395 -12.259  10.046
  544    HA2  GLY  73           HA1      GLY  73  -1.811 -13.467   7.851
  545    HA3  GLY  73           HA2      GLY  73  -3.011 -14.314   8.818
  546    H    HIS  74           HN       HIS  74  -3.686 -14.548   6.375
  547    HA   HIS  74           HA       HIS  74  -5.090 -12.235   5.351
  548    HD1  HIS  74           HD1      HIS  74  -6.946 -15.508   2.959
  549    HD2  HIS  74           HD2      HIS  74  -5.633 -11.570   2.535
  550    HE1  HIS  74           HE1      HIS  74  -8.450 -14.467   1.231
  551    HE2  HIS  74           HE2      HIS  74  -7.616 -12.107   0.965
  552    HB2  HIS  74           HB2      HIS  74  -3.941 -13.711   3.784
  553    HB3  HIS  74           HB1      HIS  74  -4.929 -15.071   4.305
  554    H    MET  75           HN       MET  75  -6.419 -12.134   7.349
  555    HA   MET  75           HA       MET  75  -9.010 -13.241   6.705
  556    HB2  MET  75           HB2      MET  75  -7.910 -14.967   8.163
  557    HB3  MET  75           HB1      MET  75  -7.837 -13.764   9.442
  558    HG2  MET  75           HG2      MET  75 -10.251 -13.618   9.481
  559    HG3  MET  75           HG1      MET  75 -10.361 -14.753   8.138
  560    HE1  MET  75           HE1      MET  75  -8.010 -16.769   8.899
  561    HE2  MET  75           HE2      MET  75  -9.580 -17.329   8.321
  562    HE3  MET  75           HE3      MET  75  -8.885 -18.015   9.790
  563    H    LEU  76           HN       LEU  76  -9.058 -10.902   6.292
  564    HA   LEU  76           HA       LEU  76  -9.627  -9.378   8.744
  565    HG   LEU  76           HG       LEU  76  -6.801  -7.240   7.751
  566    HB2  LEU  76           HB2      LEU  76  -8.318  -8.486   6.179
  567    HB3  LEU  76           HB1      LEU  76  -9.105  -7.342   7.249
  568   HD11  LEU  76          HD11      LEU  76  -8.235  -7.230   9.712
  569   HD12  LEU  76          HD12      LEU  76  -6.674  -7.967  10.069
  570   HD13  LEU  76          HD13      LEU  76  -8.096  -8.983   9.836
  571   HD21  LEU  76          HD21      LEU  76  -6.071  -9.283   6.687
  572   HD22  LEU  76          HD22      LEU  76  -6.821 -10.242   7.964
  573   HD23  LEU  76          HD23      LEU  76  -5.452  -9.195   8.336
  574    HA   PRO  77           HA       PRO  77 -13.537  -8.686   6.747
  575    HB2  PRO  77           HB2      PRO  77 -14.647  -7.078   8.536
  576    HB3  PRO  77           HB1      PRO  77 -14.173  -8.720   8.988
  577    HG2  PRO  77           HG2      PRO  77 -12.838  -6.130   9.594
  578    HG3  PRO  77           HG1      PRO  77 -12.962  -7.589  10.588
  579    HD2  PRO  77           HD2      PRO  77 -10.773  -6.821   8.963
  580    HD3  PRO  77           HD1      PRO  77 -11.005  -8.389   9.762
  581    H    ASP  78           HN       ASP  78 -11.288  -6.972   5.787
  582    HA   ASP  78           HA       ASP  78 -12.794  -4.854   4.621
  583    HB2  ASP  78           HB2      ASP  78 -11.454  -2.989   5.560
  584    HB3  ASP  78           HB1      ASP  78 -12.429  -3.801   6.774
  585    H    VAL  79           HN       VAL  79 -10.884  -3.147   3.877
  586    HA   VAL  79           HA       VAL  79  -9.622  -3.877   1.666
  587    HB   VAL  79           HB       VAL  79  -7.653  -2.349   2.740
  588   HG11  VAL  79          HG11      VAL  79 -10.198  -1.294   1.562
  589   HG12  VAL  79          HG12      VAL  79  -8.855  -1.968   0.640
  590   HG13  VAL  79          HG13      VAL  79  -8.620  -0.499   1.587
  591   HG21  VAL  79          HG21      VAL  79  -8.649  -0.650   4.119
  592   HG22  VAL  79          HG22      VAL  79  -8.905  -2.225   4.872
  593   HG23  VAL  79          HG23      VAL  79 -10.222  -1.436   4.002
  594    H    ALA  80           HN       ALA  80  -8.279  -4.555   4.887
  595    HA   ALA  80           HA       ALA  80  -5.644  -5.011   4.162
  596    HB1  ALA  80           HB1      ALA  80  -6.308  -4.777   6.435
  597    HB2  ALA  80           HB2      ALA  80  -5.462  -6.309   6.228
  598    HB3  ALA  80           HB3      ALA  80  -7.222  -6.283   6.367
  599    H    GLN  81           HN       GLN  81  -8.199  -7.528   4.437
  600    HA   GLN  81           HA       GLN  81  -6.419  -9.614   3.619
  601    HB2  GLN  81           HB2      GLN  81  -8.309 -11.055   3.590
  602    HB3  GLN  81           HB1      GLN  81  -8.613  -9.921   4.902
  603    HG2  GLN  81           HG2      GLN  81 -10.230  -8.758   3.689
  604    HG3  GLN  81           HG1      GLN  81  -9.692  -9.431   2.151
  605   HE21  GLN  81          HE21      GLN  81 -12.348  -9.380   3.239
  606   HE22  GLN  81          HE22      GLN  81 -12.855 -11.030   3.394
  607    H    ARG  82           HN       ARG  82  -8.383  -7.303   2.047
  608    HA   ARG  82           HA       ARG  82  -8.566  -8.666  -0.469
  609    HE   ARG  82           HE       ARG  82 -10.508  -5.033  -3.651
  610    HB2  ARG  82           HB2      ARG  82 -10.300  -7.121   0.331
  611    HB3  ARG  82           HB1      ARG  82  -9.139  -5.803   0.297
  612    HG2  ARG  82           HG2      ARG  82  -8.973  -5.955  -2.087
  613    HG3  ARG  82           HG1      ARG  82 -10.027  -7.371  -2.111
  614    HD2  ARG  82           HD2      ARG  82 -11.890  -6.104  -1.370
  615    HD3  ARG  82           HD1      ARG  82 -10.879  -4.718  -0.976
  616   HH11  ARG  82          HH11      ARG  82 -13.328  -4.732  -1.591
  617   HH12  ARG  82          HH12      ARG  82 -14.282  -3.900  -2.786
  618   HH21  ARG  82          HH21      ARG  82 -11.725  -3.866  -5.218
  619   HH22  ARG  82          HH22      ARG  82 -13.366  -3.409  -4.857
  620    H    LEU  83           HN       LEU  83  -6.244  -6.810   1.139
  621    HA   LEU  83           HA       LEU  83  -4.976  -5.714  -1.212
  622    HG   LEU  83           HG       LEU  83  -4.550  -3.487  -0.157
  623    HB2  LEU  83           HB2      LEU  83  -4.864  -5.206   1.537
  624    HB3  LEU  83           HB1      LEU  83  -3.291  -5.878   1.148
  625   HD11  LEU  83          HD11      LEU  83  -2.172  -3.574   1.658
  626   HD12  LEU  83          HD12      LEU  83  -3.803  -3.151   2.178
  627   HD13  LEU  83          HD13      LEU  83  -2.968  -2.150   0.990
  628   HD21  LEU  83          HD21      LEU  83  -2.362  -3.176  -1.229
  629   HD22  LEU  83          HD22      LEU  83  -3.159  -4.663  -1.744
  630   HD23  LEU  83          HD23      LEU  83  -1.842  -4.728  -0.570
  631    H    MET  84           HN       MET  84  -4.450  -8.328   1.081
  632    HA   MET  84           HA       MET  84  -2.020  -9.284   0.073
  633    HB2  MET  84           HB2      MET  84  -4.251 -10.889   1.329
  634    HB3  MET  84           HB1      MET  84  -2.557 -11.351   1.230
  635    HG2  MET  84           HG2      MET  84  -1.909  -9.642   2.734
  636    HG3  MET  84           HG1      MET  84  -3.506  -8.896   2.673
  637    HE1  MET  84           HE1      MET  84  -3.390 -10.176   6.345
  638    HE2  MET  84           HE2      MET  84  -3.640  -8.796   5.278
  639    HE3  MET  84           HE3      MET  84  -2.041  -9.522   5.419
  640    H    GLN  85           HN       GLN  85  -5.363 -10.061  -0.779
  641    HA   GLN  85           HA       GLN  85  -4.819 -12.039  -2.703
  642    HB2  GLN  85           HB2      GLN  85  -7.125 -10.103  -2.456
  643    HB3  GLN  85           HB1      GLN  85  -7.078 -11.416  -3.622
  644    HG2  GLN  85           HG2      GLN  85  -7.028 -11.688  -0.628
  645    HG3  GLN  85           HG1      GLN  85  -8.393 -12.028  -1.693
  646   HE21  GLN  85          HE21      GLN  85  -8.301 -13.832  -3.052
  647   HE22  GLN  85          HE22      GLN  85  -7.219 -15.150  -2.744
  648    H    HIS  86           HN       HIS  86  -5.377  -8.557  -3.046
  649    HA   HIS  86           HA       HIS  86  -5.267  -8.440  -5.836
  650    HD1  HIS  86           HD1      HIS  86  -6.936  -6.192  -6.769
  651    HD2  HIS  86           HD2      HIS  86  -3.275  -4.548  -5.647
  652    HE1  HIS  86           HE1      HIS  86  -6.414  -4.449  -8.506
  653    HE2  HIS  86           HE2      HIS  86  -4.139  -3.562  -7.899
  654    HB2  HIS  86           HB2      HIS  86  -6.142  -6.686  -4.277
  655    HB3  HIS  86           HB1      HIS  86  -4.478  -6.264  -3.895
  656    H    LEU  87           HN       LEU  87  -2.712  -8.375  -3.432
  657    HA   LEU  87           HA       LEU  87  -0.667  -7.676  -5.339
  658    HG   LEU  87           HG       LEU  87  -1.502  -6.483  -2.641
  659    HB2  LEU  87           HB2      LEU  87  -0.482  -8.743  -2.522
  660    HB3  LEU  87           HB1      LEU  87   0.874  -8.151  -3.466
  661   HD11  LEU  87          HD11      LEU  87   0.038  -5.442  -1.053
  662   HD12  LEU  87          HD12      LEU  87   1.283  -6.608  -1.508
  663   HD13  LEU  87          HD13      LEU  87  -0.197  -7.161  -0.721
  664   HD21  LEU  87          HD21      LEU  87  -0.326  -5.804  -4.747
  665   HD22  LEU  87          HD22      LEU  87   1.144  -5.606  -3.791
  666   HD23  LEU  87          HD23      LEU  87  -0.268  -4.604  -3.454
  667    H    ALA  88           HN       ALA  88  -1.632 -10.586  -3.578
  668    HA   ALA  88           HA       ALA  88   0.306 -12.335  -4.537
  669    HB1  ALA  88           HB1      ALA  88  -1.233 -12.829  -2.671
  670    HB2  ALA  88           HB2      ALA  88  -1.145 -14.134  -3.855
  671    HB3  ALA  88           HB3      ALA  88  -2.537 -13.052  -3.840
  672    H    GLU  89           HN       GLU  89  -2.671 -11.270  -6.070
  673    HA   GLU  89           HA       GLU  89  -2.855 -13.197  -8.091
  674    HB2  GLU  89           HB2      GLU  89  -3.636 -10.285  -8.183
  675    HB3  GLU  89           HB1      GLU  89  -4.087 -11.492  -9.378
  676    HG2  GLU  89           HG2      GLU  89  -4.852 -11.562  -6.472
  677    HG3  GLU  89           HG1      GLU  89  -5.886 -11.026  -7.796
  678    H    HIS  90           HN       HIS  90  -0.643 -10.532  -7.756
  679    HA   HIS  90           HA       HIS  90   0.108 -10.795 -10.581
  680    HD1  HIS  90           HD1      HIS  90  -0.192  -8.154 -12.199
  681    HD2  HIS  90           HD2      HIS  90  -1.985  -7.856  -8.457
  682    HE1  HIS  90           HE1      HIS  90  -2.394  -7.001 -12.590
  683    HE2  HIS  90           HE2      HIS  90  -3.530  -6.982 -10.338
  684    HB2  HIS  90           HB2      HIS  90   0.703  -8.610  -8.591
  685    HB3  HIS  90           HB1      HIS  90   1.390  -8.672 -10.210
  686    H    GLY  91           HN       GLY  91   1.370 -11.098  -7.322
  687    HA2  GLY  91           HA2      GLY  91   3.035 -12.903  -7.082
  688    HA3  GLY  91           HA1      GLY  91   3.816 -12.253  -8.517
  689    H    ILE  92           HN       ILE  92   2.543 -10.079  -6.152
  690    HA   ILE  92           HA       ILE  92   4.804  -8.615  -5.676
  691    HB   ILE  92           HB       ILE  92   2.270  -9.081  -4.195
  692   HG12  ILE  92          HG12      ILE  92   2.248  -6.560  -4.408
  693   HG13  ILE  92          HG11      ILE  92   3.738  -6.719  -5.329
  694   HG21  ILE  92          HG21      ILE  92   2.899  -7.614  -2.352
  695   HG22  ILE  92          HG22      ILE  92   4.562  -7.571  -2.945
  696   HG23  ILE  92          HG23      ILE  92   3.870  -9.086  -2.362
  697   HD11  ILE  92          HD11      ILE  92   2.591  -8.073  -6.977
  698   HD12  ILE  92          HD12      ILE  92   1.822  -6.498  -6.781
  699   HD13  ILE  92          HD13      ILE  92   1.094  -7.931  -6.055
  700    H    GLN  93           HN       GLN  93   6.472  -8.642  -4.261
  701    HA   GLN  93           HA       GLN  93   6.898 -11.181  -2.844
  702    HB2  GLN  93           HB2      GLN  93   8.856  -9.059  -3.742
  703    HB3  GLN  93           HB1      GLN  93   9.293 -10.480  -2.804
  704    HG2  GLN  93           HG2      GLN  93   8.149 -10.456  -5.587
  705    HG3  GLN  93           HG1      GLN  93   9.814 -10.818  -5.134
  706   HE21  GLN  93          HE21      GLN  93   6.559 -11.981  -5.253
  707   HE22  GLN  93          HE22      GLN  93   6.909 -13.625  -4.842
  708    HA   PRO  94           HA       PRO  94   5.987  -9.005   0.946
  709    HB2  PRO  94           HB2      PRO  94   7.433 -11.342   2.083
  710    HB3  PRO  94           HB1      PRO  94   5.832 -10.705   2.479
  711    HG2  PRO  94           HG2      PRO  94   6.079 -12.936   1.057
  712    HG3  PRO  94           HG1      PRO  94   4.826 -11.743   0.660
  713    HD2  PRO  94           HD2      PRO  94   7.452 -12.256  -0.687
  714    HD3  PRO  94           HD1      PRO  94   5.869 -11.891  -1.406
  715    H    ALA  95           HN       ALA  95   7.302  -8.557   3.017
  716    HA   ALA  95           HA       ALA  95   9.345  -6.824   2.090
  717    HB1  ALA  95           HB1      ALA  95   7.745  -6.222   3.840
  718    HB2  ALA  95           HB2      ALA  95   9.416  -5.993   4.356
  719    HB3  ALA  95           HB3      ALA  95   8.503  -7.394   4.919
  720    H    ARG  96           HN       ARG  96  10.064  -9.711   1.964
  721    HA   ARG  96           HA       ARG  96  12.703  -9.396   3.182
  722    HE   ARG  96           HE       ARG  96  11.886  -9.471   7.412
  723    HB2  ARG  96           HB2      ARG  96  10.908 -11.796   3.513
  724    HB3  ARG  96           HB1      ARG  96  12.654 -11.892   3.709
  725    HG2  ARG  96           HG2      ARG  96  10.822 -10.102   5.290
  726    HG3  ARG  96           HG1      ARG  96  11.496 -11.637   5.847
  727    HD2  ARG  96           HD2      ARG  96  13.694 -10.790   5.845
  728    HD3  ARG  96           HD1      ARG  96  13.237  -9.383   4.889
  729   HH11  ARG  96          HH11      ARG  96  14.925  -8.656   5.858
  730   HH12  ARG  96          HH12      ARG  96  15.328  -7.421   7.019
  731   HH21  ARG  96          HH21      ARG  96  12.425  -7.835   8.933
  732   HH22  ARG  96          HH22      ARG  96  13.910  -6.958   8.749
  733    H    ASN  97           HN       ASN  97  11.920  -8.919   0.539
  734    HA   ASN  97           HA       ASN  97  12.913 -11.259  -0.916
  735    HB2  ASN  97           HB2      ASN  97  12.095 -10.137  -2.955
  736    HB3  ASN  97           HB1      ASN  97  10.821 -10.383  -1.772
  737   HD21  ASN  97          HD21      ASN  97  10.900  -8.547  -3.970
  738   HD22  ASN  97          HD22      ASN  97  10.698  -6.965  -3.305
  739    H    MET  98           HN       MET  98  14.795 -11.305  -1.927
  740    HA   MET  98           HA       MET  98  16.547  -8.973  -1.572
  741    HB2  MET  98           HB2      MET  98  18.403 -10.566  -1.912
  742    HB3  MET  98           HB1      MET  98  17.364 -11.035  -0.574
  743    HG2  MET  98           HG2      MET  98  16.274 -12.692  -1.982
  744    HG3  MET  98           HG1      MET  98  17.278 -12.205  -3.347
  745    HE1  MET  98           HE1      MET  98  16.949 -15.219  -2.222
  746    HE2  MET  98           HE2      MET  98  18.616 -15.781  -2.361
  747    HE3  MET  98           HE3      MET  98  17.905 -14.800  -3.642
  748    H    ALA  99           HN       ALA  99  14.513  -9.534  -3.749
  749    HA   ALA  99           HA       ALA  99  15.902  -9.956  -6.173
  750    HB1  ALA  99           HB1      ALA  99  13.889  -9.113  -7.261
  751    HB2  ALA  99           HB2      ALA  99  13.296  -8.508  -5.714
  752    HB3  ALA  99           HB3      ALA  99  13.479 -10.243  -5.970
  753    H    GLU 100           HN       GLU 100  15.630  -7.258  -4.098
  754    HA   GLU 100           HA       GLU 100  17.496  -5.693  -5.499
  755    HB2  GLU 100           HB2      GLU 100  15.302  -5.463  -6.887
  756    HB3  GLU 100           HB1      GLU 100  14.749  -4.453  -5.559
  757    HG2  GLU 100           HG2      GLU 100  16.570  -2.911  -5.923
  758    HG3  GLU 100           HG1      GLU 100  17.238  -3.953  -7.182
  759    H    HIS 101           HN       HIS 101  15.690  -3.293  -4.412
  760    HA   HIS 101           HA       HIS 101  15.208  -2.212  -2.478
  761    HD1  HIS 101           HD1      HIS 101  12.820  -3.284   0.064
  762    HD2  HIS 101           HD2      HIS 101  13.680  -5.415  -3.399
  763    HE1  HIS 101           HE1      HIS 101  10.602  -4.055  -0.829
  764    HE2  HIS 101           HE2      HIS 101  11.132  -5.144  -3.035
  765    HB2  HIS 101           HB2      HIS 101  15.717  -4.906  -1.221
  766    HB3  HIS 101           HB1      HIS 101  15.241  -3.484  -0.298
  767    H    ILE 102           HN       ILE 102  16.271  -0.970  -0.981
  768    HA   ILE 102           HA       ILE 102  19.171  -1.030  -1.257
  769    HB   ILE 102           HB       ILE 102  17.428   1.095   0.006
  770   HG12  ILE 102          HG12      ILE 102  18.616   1.028  -2.780
  771   HG13  ILE 102          HG11      ILE 102  16.924   0.715  -2.405
  772   HG21  ILE 102          HG21      ILE 102  20.303   1.157  -0.910
  773   HG22  ILE 102          HG22      ILE 102  19.732   1.189   0.759
  774   HG23  ILE 102          HG23      ILE 102  19.389   2.544  -0.315
  775   HD11  ILE 102          HD11      ILE 102  16.673   2.978  -1.569
  776   HD12  ILE 102          HD12      ILE 102  17.277   2.983  -3.225
  777   HD13  ILE 102          HD13      ILE 102  18.378   3.297  -1.884
  778    HA   PRO 103           HA       PRO 103  19.454  -2.644   2.956
  779    HB2  PRO 103           HB2      PRO 103  22.307  -2.788   2.390
  780    HB3  PRO 103           HB1      PRO 103  21.169  -4.108   2.667
  781    HG2  PRO 103           HG2      PRO 103  22.323  -3.624   0.254
  782    HG3  PRO 103           HG1      PRO 103  20.718  -4.358   0.432
  783    HD2  PRO 103           HD2      PRO 103  21.450  -1.525  -0.211
  784    HD3  PRO 103           HD1      PRO 103  20.169  -2.543  -0.905
  785    HA   PRO 104           HA       PRO 104  20.740   0.979   5.192
  786    HB2  PRO 104           HB2      PRO 104  22.087  -0.922   7.046
  787    HB3  PRO 104           HB1      PRO 104  20.899   0.341   7.393
  788    HG2  PRO 104           HG2      PRO 104  20.198  -2.228   7.403
  789    HG3  PRO 104           HG1      PRO 104  19.109  -0.989   6.753
  790    HD2  PRO 104           HD2      PRO 104  20.834  -2.950   5.300
  791    HD3  PRO 104           HD1      PRO 104  19.206  -2.366   4.900
  792    H    ALA 105           HN       ALA 105  22.312   2.169   4.319
  793    HA   ALA 105           HA       ALA 105  24.864   1.058   3.611
  794    HB1  ALA 105           HB1      ALA 105  25.345   3.254   2.693
  795    HB2  ALA 105           HB2      ALA 105  23.909   3.916   3.477
  796    HB3  ALA 105           HB3      ALA 105  23.742   2.718   2.193
  797    HA   PRO 106           HA       PRO 106  26.661   2.017   7.544
  798    HB2  PRO 106           HB2      PRO 106  29.125   1.061   7.067
  799    HB3  PRO 106           HB1      PRO 106  27.728  -0.007   7.252
  800    HG2  PRO 106           HG2      PRO 106  29.099   0.908   4.761
  801    HG3  PRO 106           HG1      PRO 106  28.462  -0.697   5.165
  802    HD2  PRO 106           HD2      PRO 106  27.153   1.144   3.589
  803    HD3  PRO 106           HD1      PRO 106  26.346  -0.147   4.497
  804    H    ASN 107           HN       ASN 107  26.364   4.369   6.580
  805    HA   ASN 107           HA       ASN 107  29.063   5.536   6.327
  806    HB2  ASN 107           HB2      ASN 107  26.426   6.601   5.292
  807    HB3  ASN 107           HB1      ASN 107  27.938   7.501   5.261
  808   HD21  ASN 107          HD21      ASN 107  26.123   4.901   3.899
  809   HD22  ASN 107          HD22      ASN 107  27.168   4.584   2.553
  810    H    TRP 108           HN       TRP 108  28.530   4.994   8.797
  811    HA   TRP 108           HA       TRP 108  27.373   7.410  10.006
  812    HD1  TRP 108           HD1      TRP 108  24.726   6.939  10.730
  813    HE1  TRP 108           HE1      TRP 108  22.828   5.448   9.819
  814    HE3  TRP 108           HE3      TRP 108  27.276   2.516  10.366
  815    HZ2  TRP 108           HZ2      TRP 108  22.469   2.757   9.058
  816    HZ3  TRP 108           HZ3      TRP 108  26.077   0.531   9.538
  817    HH2  TRP 108           HH2      TRP 108  23.726   0.651   8.899
  818    HB2  TRP 108           HB2      TRP 108  27.860   4.699  11.267
  819    HB3  TRP 108           HB1      TRP 108  27.105   6.082  12.053
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -11.727   5.768 -14.392
    2    H2   GLY   1           HT2      GLY   1 -11.442   5.310 -12.780
    3    H3   GLY   1           HT3      GLY   1 -10.444   6.456 -13.524
    4    HA2  GLY   1           HA1      GLY   1 -13.338   6.849 -13.020
    5    HA3  GLY   1           HA2      GLY   1 -12.059   7.449 -11.971
    6    H    HIS   2           HN       HIS   2 -13.692   9.309 -12.874
    7    HA   HIS   2           HA       HIS   2 -12.046  10.706 -14.871
    8    HD1  HIS   2           HD1      HIS   2 -14.703   8.251 -16.387
    9    HD2  HIS   2           HD2      HIS   2 -12.790  11.664 -17.804
   10    HE1  HIS   2           HE1      HIS   2 -13.976   7.702 -18.731
   11    HE2  HIS   2           HE2      HIS   2 -12.946   9.828 -19.619
   12    HB2  HIS   2           HB2      HIS   2 -14.998  10.290 -14.877
   13    HB3  HIS   2           HB1      HIS   2 -14.377  11.833 -15.455
   14    H    MET   3           HN       MET   3 -11.518  11.016 -12.277
   15    HA   MET   3           HA       MET   3 -11.097  12.623 -10.735
   16    HB2  MET   3           HB2      MET   3 -12.013  14.374 -13.019
   17    HB3  MET   3           HB1      MET   3 -11.380  15.022 -11.514
   18    HG2  MET   3           HG2      MET   3  -9.649  15.001 -13.181
   19    HG3  MET   3           HG1      MET   3  -9.261  13.842 -11.915
   20    HE1  MET   3           HE1      MET   3  -7.798  13.914 -14.762
   21    HE2  MET   3           HE2      MET   3  -7.726  12.189 -15.127
   22    HE3  MET   3           HE3      MET   3  -7.405  12.759 -13.490
   23    H    SER   4           HN       SER   4 -13.320  11.340 -10.131
   24    HA   SER   4           HA       SER   4 -15.419  13.346  -9.680
   25    HG   SER   4           HG       SER   4 -16.922  11.395 -11.567
   26    HB2  SER   4           HB2      SER   4 -15.640  10.337  -9.454
   27    HB3  SER   4           HB1      SER   4 -16.962  11.504  -9.476
   28    H    GLY   5           HN       GLY   5 -13.183  11.211  -8.057
   29    HA2  GLY   5           HA2      GLY   5 -14.260  12.168  -5.478
   30    HA3  GLY   5           HA1      GLY   5 -13.849  10.476  -5.711
   31    H    PHE   6           HN       PHE   6 -12.346  13.683  -6.166
   32    HA   PHE   6           HA       PHE   6  -9.851  12.508  -5.145
   33    HD1  PHE   6           HD2      PHE   6  -8.363  11.793  -6.164
   34    HD2  PHE   6           HD1      PHE   6  -9.806  14.388  -9.213
   35    HE1  PHE   6           HE2      PHE   6  -7.488  10.263  -7.883
   36    HE2  PHE   6           HE1      PHE   6  -8.948  12.858 -10.933
   37    HZ   PHE   6           HZ       PHE   6  -7.739  10.796 -10.250
   38    HB2  PHE   6           HB2      PHE   6 -10.372  14.800  -7.012
   39    HB3  PHE   6           HB1      PHE   6  -8.852  14.693  -6.131
   40    H    LYS   7           HN       LYS   7 -11.091  12.785  -3.023
   41    HA   LYS   7           HA       LYS   7 -10.999  15.383  -1.826
   42    HB2  LYS   7           HB2      LYS   7 -10.955  12.639  -0.540
   43    HB3  LYS   7           HB1      LYS   7 -11.190  14.155   0.317
   44    HG2  LYS   7           HG2      LYS   7 -13.025  13.089  -1.814
   45    HG3  LYS   7           HG1      LYS   7 -13.284  12.922  -0.077
   46    HD2  LYS   7           HD2      LYS   7 -13.300  15.377   0.132
   47    HD3  LYS   7           HD1      LYS   7 -13.110  15.510  -1.618
   48    HE2  LYS   7           HE2      LYS   7 -15.439  15.792  -0.994
   49    HE3  LYS   7           HE1      LYS   7 -15.225  14.315  -1.930
   50    HZ1  LYS   7           HZ1      LYS   7 -15.531  14.504   1.021
   51    HZ2  LYS   7           HZ2      LYS   7 -15.212  13.067   0.180
   52    HZ3  LYS   7           HZ3      LYS   7 -16.669  13.894  -0.077
   53    H    HIS   8           HN       HIS   8  -8.845  12.656  -2.154
   54    HA   HIS   8           HA       HIS   8  -6.617  14.394  -1.353
   55    HD1  HIS   8           HD1      HIS   8  -8.668  11.696   1.136
   56    HD2  HIS   8           HD2      HIS   8  -5.393  14.245   1.512
   57    HE1  HIS   8           HE1      HIS   8  -8.817  12.676   3.454
   58    HE2  HIS   8           HE2      HIS   8  -6.719  14.054   3.723
   59    HB2  HIS   8           HB2      HIS   8  -6.976  11.453  -0.746
   60    HB3  HIS   8           HB1      HIS   8  -5.442  12.297  -0.581
   61    H    VAL   9           HN       VAL   9  -4.694  14.098  -2.585
   62    HA   VAL   9           HA       VAL   9  -4.644  12.393  -4.868
   63    HB   VAL   9           HB       VAL   9  -6.378  14.096  -5.535
   64   HG11  VAL   9          HG11      VAL   9  -5.615  16.351  -6.159
   65   HG12  VAL   9          HG12      VAL   9  -4.046  16.000  -5.433
   66   HG13  VAL   9          HG13      VAL   9  -5.493  16.046  -4.426
   67   HG21  VAL   9          HG21      VAL   9  -5.474  14.505  -7.769
   68   HG22  VAL   9          HG22      VAL   9  -5.127  12.865  -7.225
   69   HG23  VAL   9          HG23      VAL   9  -3.859  14.089  -7.194
   70    H    SER  10           HN       SER  10  -3.160  13.552  -2.535
   71    HA   SER  10           HA       SER  10  -1.024  15.164  -3.546
   72    HG   SER  10           HG       SER  10  -2.388  15.279  -0.143
   73    HB2  SER  10           HB2      SER  10  -1.167  13.641  -0.937
   74    HB3  SER  10           HB1      SER  10  -0.233  15.106  -1.281
   75    H    HIS  11           HN       HIS  11  -1.543  12.422  -4.657
   76    HA   HIS  11           HA       HIS  11  -0.469  10.563  -5.360
   77    HD1  HIS  11           HD1      HIS  11   1.698  14.331  -6.012
   78    HD2  HIS  11           HD2      HIS  11   0.325  11.036  -8.155
   79    HE1  HIS  11           HE1      HIS  11   1.049  15.213  -8.277
   80    HE2  HIS  11           HE2      HIS  11  -0.005  13.253  -9.460
   81    HB2  HIS  11           HB2      HIS  11   1.999  12.204  -4.761
   82    HB3  HIS  11           HB1      HIS  11   1.971  10.726  -5.716
   83    H    VAL  12           HN       VAL  12  -0.855  11.209  -2.369
   84    HA   VAL  12           HA       VAL  12  -0.410  10.359  -0.307
   85    HB   VAL  12           HB       VAL  12  -0.645   7.971  -0.102
   86   HG11  VAL  12          HG11      VAL  12  -2.348   9.137  -2.295
   87   HG12  VAL  12          HG12      VAL  12  -2.614   9.304  -0.561
   88   HG13  VAL  12          HG13      VAL  12  -2.753   7.717  -1.327
   89   HG21  VAL  12          HG21      VAL  12   0.843   7.235  -1.899
   90   HG22  VAL  12          HG22      VAL  12  -0.300   7.842  -3.097
   91   HG23  VAL  12          HG23      VAL  12  -0.754   6.501  -2.047
   92    H    GLY  13           HN       GLY  13   2.085  11.109  -1.785
   93    HA2  GLY  13           HA2      GLY  13   4.334  11.077  -1.299
   94    HA3  GLY  13           HA1      GLY  13   3.943  10.137   0.134
   95    H    TRP  14           HN       TRP  14   2.987   9.038  -3.009
   96    HA   TRP  14           HA       TRP  14   4.655   6.678  -2.673
   97    HD1  TRP  14           HD1      TRP  14   3.661   3.891  -3.337
   98    HE1  TRP  14           HE1      TRP  14   4.010   2.407  -5.412
   99    HE3  TRP  14           HE3      TRP  14   2.665   7.335  -6.989
  100    HZ2  TRP  14           HZ2      TRP  14   3.874   2.656  -8.214
  101    HZ3  TRP  14           HZ3      TRP  14   2.792   6.626  -9.341
  102    HH2  TRP  14           HH2      TRP  14   3.386   4.334  -9.937
  103    HB2  TRP  14           HB2      TRP  14   2.311   6.294  -3.119
  104    HB3  TRP  14           HB1      TRP  14   2.366   7.329  -4.540
  105    H    ASP  15           HN       ASP  15   6.346   6.193  -3.883
  106    HA   ASP  15           HA       ASP  15   6.924   7.827  -6.271
  107    HB2  ASP  15           HB2      ASP  15   8.617   8.114  -4.520
  108    HB3  ASP  15           HB1      ASP  15   8.822   6.368  -4.403
  109    HA   PRO  16           HA       PRO  16   6.016   4.264  -8.677
  110    HB2  PRO  16           HB2      PRO  16   7.780   4.748 -10.760
  111    HB3  PRO  16           HB1      PRO  16   6.171   5.454 -10.599
  112    HG2  PRO  16           HG2      PRO  16   8.829   6.614  -9.886
  113    HG3  PRO  16           HG1      PRO  16   7.428   7.399 -10.638
  114    HD2  PRO  16           HD2      PRO  16   7.991   7.759  -8.050
  115    HD3  PRO  16           HD1      PRO  16   6.310   7.616  -8.611
  116    H    GLN  17           HN       GLN  17   9.336   4.906  -7.733
  117    HA   GLN  17           HA       GLN  17  10.057   2.137  -8.426
  118    HB2  GLN  17           HB2      GLN  17  11.882   4.414  -7.675
  119    HB3  GLN  17           HB1      GLN  17  12.364   2.816  -8.221
  120    HG2  GLN  17           HG2      GLN  17  11.266   3.265 -10.386
  121    HG3  GLN  17           HG1      GLN  17  10.921   4.903  -9.834
  122   HE21  GLN  17          HE21      GLN  17  12.157   5.845 -11.451
  123   HE22  GLN  17          HE22      GLN  17  13.888   5.763 -11.463
  124    H    ASN  18           HN       ASN  18  10.297   4.505  -5.785
  125    HA   ASN  18           HA       ASN  18  11.311   2.443  -3.997
  126    HB2  ASN  18           HB2      ASN  18  11.014   5.414  -3.779
  127    HB3  ASN  18           HB1      ASN  18  11.319   4.425  -2.356
  128   HD21  ASN  18          HD21      ASN  18  13.306   3.591  -2.006
  129   HD22  ASN  18          HD22      ASN  18  14.671   3.905  -3.025
  130    H    GLY  19           HN       GLY  19   8.290   3.548  -4.876
  131    HA2  GLY  19           HA2      GLY  19   6.270   2.713  -4.144
  132    HA3  GLY  19           HA1      GLY  19   7.108   1.932  -2.814
  133    H    PHE  20           HN       PHE  20   5.744   2.536  -1.219
  134    HA   PHE  20           HA       PHE  20   4.890   5.282  -0.921
  135    HD1  PHE  20           HD2      PHE  20   2.111   5.461  -0.229
  136    HD2  PHE  20           HD1      PHE  20   3.404   1.452  -0.822
  137    HE1  PHE  20           HE2      PHE  20   0.082   5.013  -1.547
  138    HE2  PHE  20           HE1      PHE  20   1.379   0.991  -2.136
  139    HZ   PHE  20           HZ       PHE  20  -0.286   2.770  -2.505
  140    HB2  PHE  20           HB2      PHE  20   4.464   2.820   0.781
  141    HB3  PHE  20           HB1      PHE  20   3.836   4.408   1.201
  142    H    ASP  21           HN       ASP  21   5.998   6.783   0.143
  143    HA   ASP  21           HA       ASP  21   8.408   6.215   1.520
  144    HB2  ASP  21           HB2      ASP  21   7.790   8.413   0.418
  145    HB3  ASP  21           HB1      ASP  21   6.754   8.727   1.808
  146    H    VAL  22           HN       VAL  22   8.344   5.004   3.293
  147    HA   VAL  22           HA       VAL  22   6.041   4.624   4.849
  148    HB   VAL  22           HB       VAL  22   7.539   3.343   6.386
  149   HG11  VAL  22          HG11      VAL  22   6.413   2.291   4.502
  150   HG12  VAL  22          HG12      VAL  22   8.008   1.582   4.749
  151   HG13  VAL  22          HG13      VAL  22   7.750   2.737   3.441
  152   HG21  VAL  22          HG21      VAL  22   9.846   2.964   5.757
  153   HG22  VAL  22          HG22      VAL  22   9.586   4.691   6.008
  154   HG23  VAL  22          HG23      VAL  22   9.675   4.038   4.370
  155    H    ASN  23           HN       ASN  23   8.664   6.903   5.273
  156    HA   ASN  23           HA       ASN  23   7.815   7.405   8.019
  157    HB2  ASN  23           HB2      ASN  23   9.702   9.048   8.064
  158    HB3  ASN  23           HB1      ASN  23  10.196   7.395   7.734
  159   HD21  ASN  23          HD21      ASN  23   9.831  10.595   6.439
  160   HD22  ASN  23          HD22      ASN  23  10.749  10.332   4.999
  161    H    ASN  24           HN       ASN  24   6.958   8.386   4.973
  162    HA   ASN  24           HA       ASN  24   5.717  10.832   6.061
  163    HB2  ASN  24           HB2      ASN  24   6.718  10.230   3.282
  164    HB3  ASN  24           HB1      ASN  24   5.541  11.501   3.584
  165   HD21  ASN  24          HD21      ASN  24   8.347  11.554   2.612
  166   HD22  ASN  24          HD22      ASN  24   9.163  12.661   3.658
  167    H    LEU  25           HN       LEU  25   4.889   7.955   6.012
  168    HA   LEU  25           HA       LEU  25   2.770   7.652   4.149
  169    HG   LEU  25           HG       LEU  25   4.643   5.538   4.407
  170    HB2  LEU  25           HB2      LEU  25   3.687   6.196   6.584
  171    HB3  LEU  25           HB1      LEU  25   2.080   5.864   5.972
  172   HD11  LEU  25          HD11      LEU  25   4.420   3.920   6.239
  173   HD12  LEU  25          HD12      LEU  25   4.253   3.152   4.660
  174   HD13  LEU  25          HD13      LEU  25   2.822   3.472   5.637
  175   HD21  LEU  25          HD21      LEU  25   1.807   4.757   3.748
  176   HD22  LEU  25          HD22      LEU  25   3.234   4.418   2.768
  177   HD23  LEU  25          HD23      LEU  25   2.706   6.084   3.010
  178    H    ASP  26           HN       ASP  26   0.672   8.106   4.274
  179    HA   ASP  26           HA       ASP  26  -0.439   9.864   6.182
  180    HB2  ASP  26           HB2      ASP  26  -1.390   9.673   3.952
  181    HB3  ASP  26           HB1      ASP  26  -1.746   7.970   4.205
  182    HA   PRO  27           HA       PRO  27  -1.135   7.427   9.792
  183    HB2  PRO  27           HB2      PRO  27  -3.900   8.566   9.563
  184    HB3  PRO  27           HB1      PRO  27  -2.860   8.426  10.987
  185    HG2  PRO  27           HG2      PRO  27  -3.083  10.751   9.714
  186    HG3  PRO  27           HG1      PRO  27  -1.515  10.209  10.345
  187    HD2  PRO  27           HD2      PRO  27  -2.485  10.327   7.538
  188    HD3  PRO  27           HD1      PRO  27  -0.837  10.467   8.171
  189    H    ASP  28           HN       ASP  28  -3.929   7.428   7.544
  190    HA   ASP  28           HA       ASP  28  -4.865   4.888   8.452
  191    HB2  ASP  28           HB2      ASP  28  -5.519   6.537   6.002
  192    HB3  ASP  28           HB1      ASP  28  -6.264   4.975   6.318
  193    H    LEU  29           HN       LEU  29  -2.883   5.943   5.701
  194    HA   LEU  29           HA       LEU  29  -2.674   3.425   4.458
  195    HG   LEU  29           HG       LEU  29  -2.729   6.484   3.586
  196    HB2  LEU  29           HB2      LEU  29  -0.642   5.653   4.553
  197    HB3  LEU  29           HB1      LEU  29  -0.637   4.315   3.420
  198   HD11  LEU  29          HD11      LEU  29  -0.545   5.923   1.595
  199   HD12  LEU  29          HD12      LEU  29  -0.662   7.305   2.687
  200   HD13  LEU  29          HD13      LEU  29  -1.827   7.117   1.378
  201   HD21  LEU  29          HD21      LEU  29  -3.691   4.345   2.895
  202   HD22  LEU  29          HD22      LEU  29  -2.451   4.186   1.651
  203   HD23  LEU  29          HD23      LEU  29  -3.641   5.485   1.551
  204    H    ARG  30           HN       ARG  30  -0.697   5.013   6.917
  205    HA   ARG  30           HA       ARG  30   1.288   3.075   7.246
  206    HE   ARG  30           HE       ARG  30   3.925   2.852  10.918
  207    HB2  ARG  30           HB2      ARG  30   1.327   5.346   8.259
  208    HB3  ARG  30           HB1      ARG  30   0.059   4.849   9.368
  209    HG2  ARG  30           HG2      ARG  30   2.115   4.748  10.548
  210    HG3  ARG  30           HG1      ARG  30   1.603   3.090  10.230
  211    HD2  ARG  30           HD2      ARG  30   3.126   3.058   8.265
  212    HD3  ARG  30           HD1      ARG  30   3.710   4.652   8.739
  213   HH11  ARG  30          HH11      ARG  30   5.478   3.710   7.889
  214   HH12  ARG  30          HH12      ARG  30   6.998   2.986   8.320
  215   HH21  ARG  30          HH21      ARG  30   5.932   1.897  11.472
  216   HH22  ARG  30          HH22      ARG  30   7.249   1.946  10.340
  217    H    SER  31           HN       SER  31  -1.926   3.349   8.648
  218    HA   SER  31           HA       SER  31  -1.642   1.126  10.411
  219    HG   SER  31           HG       SER  31  -3.255   0.843  11.662
  220    HB2  SER  31           HB2      SER  31  -3.333   3.151  10.457
  221    HB3  SER  31           HB1      SER  31  -4.307   2.096   9.443
  222    H    LEU  32           HN       LEU  32  -3.192   1.605   7.246
  223    HA   LEU  32           HA       LEU  32  -4.445  -0.887   7.093
  224    HG   LEU  32           HG       LEU  32  -3.767  -1.317   4.003
  225    HB2  LEU  32           HB2      LEU  32  -5.101   0.868   5.599
  226    HB3  LEU  32           HB1      LEU  32  -3.495   0.940   4.896
  227   HD11  LEU  32          HD11      LEU  32  -5.249  -2.185   5.720
  228   HD12  LEU  32          HD12      LEU  32  -5.911  -2.446   4.108
  229   HD13  LEU  32          HD13      LEU  32  -6.551  -1.154   5.126
  230   HD21  LEU  32          HD21      LEU  32  -5.597  -0.846   2.378
  231   HD22  LEU  32          HD22      LEU  32  -4.369   0.416   2.500
  232   HD23  LEU  32          HD23      LEU  32  -5.939   0.632   3.281
  233    H    PHE  33           HN       PHE  33  -1.416   0.157   5.582
  234    HA   PHE  33           HA       PHE  33  -1.025  -2.227   4.172
  235    HD1  PHE  33           HD2      PHE  33  -1.769  -0.858   2.831
  236    HD2  PHE  33           HD1      PHE  33   1.661   1.574   3.610
  237    HE1  PHE  33           HE2      PHE  33  -2.587   0.825   1.244
  238    HE2  PHE  33           HE1      PHE  33   0.825   3.253   2.026
  239    HZ   PHE  33           HZ       PHE  33  -1.294   2.873   0.836
  240    HB2  PHE  33           HB2      PHE  33   1.081  -0.264   5.086
  241    HB3  PHE  33           HB1      PHE  33   1.239  -1.427   3.774
  242    H    SER  34           HN       SER  34  -0.035  -1.222   7.376
  243    HA   SER  34           HA       SER  34   1.571  -3.439   8.026
  244    HG   SER  34           HG       SER  34   1.216  -0.244   9.223
  245    HB2  SER  34           HB2      SER  34  -0.144  -1.732   9.833
  246    HB3  SER  34           HB1      SER  34   1.209  -2.753  10.329
  247    H    ARG  35           HN       ARG  35  -1.901  -2.846   8.368
  248    HA   ARG  35           HA       ARG  35  -2.572  -5.271   9.633
  249    HE   ARG  35           HE       ARG  35  -6.876  -3.215   8.800
  250    HB2  ARG  35           HB2      ARG  35  -4.140  -3.339   7.944
  251    HB3  ARG  35           HB1      ARG  35  -4.874  -4.783   8.632
  252    HG2  ARG  35           HG2      ARG  35  -4.641  -4.035  10.787
  253    HG3  ARG  35           HG1      ARG  35  -3.383  -2.876  10.366
  254    HD2  ARG  35           HD2      ARG  35  -5.392  -1.662  10.827
  255    HD3  ARG  35           HD1      ARG  35  -5.103  -1.596   9.092
  256   HH11  ARG  35          HH11      ARG  35  -6.613  -1.785  11.993
  257   HH12  ARG  35          HH12      ARG  35  -8.277  -2.081  12.395
  258   HH21  ARG  35          HH21      ARG  35  -9.059  -3.626   9.328
  259   HH22  ARG  35          HH22      ARG  35  -9.666  -3.128  10.883
  260    H    ALA  36           HN       ALA  36  -2.280  -4.326   6.274
  261    HA   ALA  36           HA       ALA  36  -3.441  -6.665   5.156
  262    HB1  ALA  36           HB1      ALA  36  -2.750  -5.800   3.040
  263    HB2  ALA  36           HB2      ALA  36  -1.540  -4.765   3.803
  264    HB3  ALA  36           HB3      ALA  36  -3.254  -4.433   4.039
  265    H    GLY  37           HN       GLY  37  -0.410  -6.106   6.571
  266    HA2  GLY  37           HA2      GLY  37   1.071  -7.931   7.019
  267    HA3  GLY  37           HA1      GLY  37   0.532  -8.687   5.526
  268    H    ILE  38           HN       ILE  38   0.756  -5.835   4.385
  269    HA   ILE  38           HA       ILE  38   3.261  -6.105   3.136
  270    HB   ILE  38           HB       ILE  38   1.714  -3.530   3.432
  271   HG12  ILE  38          HG12      ILE  38   1.273  -5.494   1.196
  272   HG13  ILE  38          HG11      ILE  38   0.342  -5.609   2.687
  273   HG21  ILE  38          HG21      ILE  38   2.676  -2.999   1.272
  274   HG22  ILE  38          HG22      ILE  38   3.450  -4.583   1.204
  275   HG23  ILE  38          HG23      ILE  38   3.949  -3.410   2.422
  276   HD11  ILE  38          HD11      ILE  38  -0.879  -4.390   0.991
  277   HD12  ILE  38          HD12      ILE  38   0.456  -3.245   0.833
  278   HD13  ILE  38          HD13      ILE  38  -0.460  -3.328   2.337
  279    H    SER  39           HN       SER  39   5.076  -6.043   4.325
  280    HA   SER  39           HA       SER  39   5.358  -4.328   6.601
  281    HG   SER  39           HG       SER  39   5.343  -6.703   6.661
  282    HB2  SER  39           HB2      SER  39   7.494  -5.897   5.178
  283    HB3  SER  39           HB1      SER  39   7.539  -5.305   6.838
  284    H    GLU  40           HN       GLU  40   7.464  -2.928   6.708
  285    HA   GLU  40           HA       GLU  40   7.020  -0.822   4.874
  286    HB2  GLU  40           HB2      GLU  40   9.228  -1.266   6.881
  287    HB3  GLU  40           HB1      GLU  40   9.006   0.228   5.978
  288    HG2  GLU  40           HG2      GLU  40   6.825   0.544   6.971
  289    HG3  GLU  40           HG1      GLU  40   6.959  -0.996   7.818
  290    H    ALA  41           HN       ALA  41   9.291  -3.470   4.909
  291    HA   ALA  41           HA       ALA  41  10.992  -2.569   2.850
  292    HB1  ALA  41           HB1      ALA  41  10.181  -5.404   3.501
  293    HB2  ALA  41           HB2      ALA  41  11.510  -4.518   4.251
  294    HB3  ALA  41           HB3      ALA  41  11.574  -4.918   2.534
  295    H    GLN  42           HN       GLN  42   7.980  -4.406   2.795
  296    HA   GLN  42           HA       GLN  42   7.867  -4.686  -0.018
  297    HB2  GLN  42           HB2      GLN  42   5.654  -4.799   2.032
  298    HB3  GLN  42           HB1      GLN  42   5.502  -5.290   0.352
  299    HG2  GLN  42           HG2      GLN  42   7.167  -7.025   0.688
  300    HG3  GLN  42           HG1      GLN  42   7.359  -6.528   2.369
  301   HE21  GLN  42          HE21      GLN  42   5.331  -8.116   0.057
  302   HE22  GLN  42          HE22      GLN  42   4.230  -8.818   1.196
  303    H    LEU  43           HN       LEU  43   6.870  -2.185   2.212
  304    HA   LEU  43           HA       LEU  43   5.339  -0.718   0.286
  305    HG   LEU  43           HG       LEU  43   4.520  -1.402   3.131
  306    HB2  LEU  43           HB2      LEU  43   6.491   0.036   2.963
  307    HB3  LEU  43           HB1      LEU  43   5.598   1.167   1.958
  308   HD11  LEU  43          HD11      LEU  43   3.800   1.467   3.720
  309   HD12  LEU  43          HD12      LEU  43   4.851   0.468   4.728
  310   HD13  LEU  43          HD13      LEU  43   3.159   0.022   4.505
  311   HD21  LEU  43          HD21      LEU  43   3.184   0.701   1.433
  312   HD22  LEU  43          HD22      LEU  43   2.378  -0.664   2.207
  313   HD23  LEU  43          HD23      LEU  43   3.569  -0.947   0.938
  314    H    THR  44           HN       THR  44   8.650  -1.125   0.869
  315    HA   THR  44           HA       THR  44   9.237   1.201  -0.816
  316    HB   THR  44           HB       THR  44  11.669   0.669  -0.126
  317    HG1  THR  44           HG1      THR  44  10.371  -0.547   2.097
  318   HG21  THR  44          HG21      THR  44  11.451   1.974   1.934
  319   HG22  THR  44          HG22      THR  44   9.713   1.681   1.942
  320   HG23  THR  44          HG23      THR  44  10.439   2.637   0.649
  321    H    ASP  45           HN       ASP  45   8.226  -1.608  -1.379
  322    HA   ASP  45           HA       ASP  45  10.219  -2.607  -3.252
  323    HB2  ASP  45           HB2      ASP  45   8.814  -4.166  -1.904
  324    HB3  ASP  45           HB1      ASP  45   7.391  -3.550  -2.730
  325    H    ALA  46           HN       ALA  46   9.653  -2.932  -5.549
  326    HA   ALA  46           HA       ALA  46   8.529  -0.513  -6.601
  327    HB1  ALA  46           HB1      ALA  46   9.484  -2.925  -8.133
  328    HB2  ALA  46           HB2      ALA  46  10.522  -1.611  -7.574
  329    HB3  ALA  46           HB3      ALA  46   9.250  -1.287  -8.750
  330    H    GLU  47           HN       GLU  47   7.766  -3.939  -7.432
  331    HA   GLU  47           HA       GLU  47   5.336  -3.158  -8.681
  332    HB2  GLU  47           HB2      GLU  47   4.803  -5.654  -8.631
  333    HB3  GLU  47           HB1      GLU  47   6.198  -5.137  -9.561
  334    HG2  GLU  47           HG2      GLU  47   6.574  -6.039  -6.747
  335    HG3  GLU  47           HG1      GLU  47   6.311  -7.235  -8.014
  336    H    THR  48           HN       THR  48   6.084  -4.459  -5.484
  337    HA   THR  48           HA       THR  48   3.491  -5.012  -4.645
  338    HB   THR  48           HB       THR  48   5.681  -3.881  -2.888
  339    HG1  THR  48           HG1      THR  48   6.544  -5.653  -3.915
  340   HG21  THR  48          HG21      THR  48   3.303  -5.657  -2.299
  341   HG22  THR  48          HG22      THR  48   3.499  -3.975  -1.801
  342   HG23  THR  48          HG23      THR  48   4.560  -5.220  -1.140
  343    H    SER  49           HN       SER  49   5.309  -1.998  -4.024
  344    HA   SER  49           HA       SER  49   3.169  -0.678  -2.784
  345    HG   SER  49           HG       SER  49   6.691  -0.348  -2.889
  346    HB2  SER  49           HB2      SER  49   5.451   0.640  -4.246
  347    HB3  SER  49           HB1      SER  49   4.531   1.278  -2.882
  348    H    LYS  50           HN       LYS  50   4.242  -0.706  -6.157
  349    HA   LYS  50           HA       LYS  50   2.572   1.354  -7.090
  350    HB2  LYS  50           HB2      LYS  50   4.463   0.385  -8.374
  351    HB3  LYS  50           HB1      LYS  50   3.529  -1.087  -8.598
  352    HG2  LYS  50           HG2      LYS  50   1.826   0.214  -9.819
  353    HG3  LYS  50           HG1      LYS  50   2.836   1.652  -9.649
  354    HD2  LYS  50           HD2      LYS  50   4.649   0.449 -10.846
  355    HD3  LYS  50           HD1      LYS  50   3.538  -0.896 -11.106
  356    HE2  LYS  50           HE2      LYS  50   3.600   0.474 -13.081
  357    HE3  LYS  50           HE1      LYS  50   2.027   0.644 -12.307
  358    HZ1  LYS  50           HZ1      LYS  50   2.555   2.774 -11.546
  359    HZ2  LYS  50           HZ2      LYS  50   3.181   2.746 -13.121
  360    HZ3  LYS  50           HZ3      LYS  50   4.219   2.560 -11.798
  361    H    LEU  51           HN       LEU  51   2.047  -2.096  -6.644
  362    HA   LEU  51           HA       LEU  51  -0.553  -1.964  -7.876
  363    HG   LEU  51           HG       LEU  51   1.484  -3.333  -8.997
  364    HB2  LEU  51           HB2      LEU  51   1.009  -4.189  -6.599
  365    HB3  LEU  51           HB1      LEU  51  -0.642  -4.396  -7.163
  366   HD11  LEU  51          HD11      LEU  51   0.803  -6.228  -8.541
  367   HD12  LEU  51          HD12      LEU  51   2.327  -5.443  -8.130
  368   HD13  LEU  51          HD13      LEU  51   1.841  -5.595  -9.818
  369   HD21  LEU  51          HD21      LEU  51  -1.134  -4.762  -9.405
  370   HD22  LEU  51          HD22      LEU  51  -0.021  -4.309 -10.696
  371   HD23  LEU  51          HD23      LEU  51  -0.797  -3.059  -9.723
  372    H    ILE  52           HN       ILE  52   0.709  -1.803  -4.603
  373    HA   ILE  52           HA       ILE  52  -1.792  -2.003  -3.302
  374    HB   ILE  52           HB       ILE  52   0.504  -0.181  -2.560
  375   HG12  ILE  52          HG12      ILE  52  -0.084  -3.013  -1.669
  376   HG13  ILE  52          HG11      ILE  52   1.194  -2.540  -2.787
  377   HG21  ILE  52          HG21      ILE  52  -1.569   0.389  -1.440
  378   HG22  ILE  52          HG22      ILE  52  -0.435  -0.333  -0.299
  379   HG23  ILE  52          HG23      ILE  52  -1.777  -1.287  -0.931
  380   HD11  ILE  52          HD11      ILE  52   0.960  -1.871   0.127
  381   HD12  ILE  52          HD12      ILE  52   2.140  -1.128  -0.957
  382   HD13  ILE  52          HD13      ILE  52   2.181  -2.868  -0.664
  383    H    TYR  53           HN       TYR  53  -0.107   0.713  -4.831
  384    HA   TYR  53           HA       TYR  53  -2.082   2.673  -4.321
  385    HD1  TYR  53           HD2      TYR  53  -1.234   4.963  -4.015
  386    HD2  TYR  53           HD1      TYR  53  -0.784   4.240  -8.182
  387    HE1  TYR  53           HE2      TYR  53  -1.913   7.280  -4.485
  388    HE2  TYR  53           HE1      TYR  53  -1.457   6.556  -8.664
  389    HH   TYR  53           HH       TYR  53  -2.737   8.370  -7.585
  390    HB2  TYR  53           HB2      TYR  53   0.302   3.066  -5.086
  391    HB3  TYR  53           HB1      TYR  53  -0.210   2.571  -6.695
  392    H    ASP  54           HN       ASP  54  -1.515   0.448  -6.992
  393    HA   ASP  54           HA       ASP  54  -3.701   1.114  -8.611
  394    HB2  ASP  54           HB2      ASP  54  -1.949  -0.308  -9.443
  395    HB3  ASP  54           HB1      ASP  54  -2.234  -1.494  -8.174
  396    H    PHE  55           HN       PHE  55  -3.413  -0.969  -5.817
  397    HA   PHE  55           HA       PHE  55  -5.972  -2.137  -5.811
  398    HD1  PHE  55           HD1      PHE  55  -6.429  -4.265  -3.744
  399    HD2  PHE  55           HD2      PHE  55  -5.037  -0.737  -1.792
  400    HE1  PHE  55           HE1      PHE  55  -7.936  -4.708  -1.854
  401    HE2  PHE  55           HE2      PHE  55  -6.544  -1.183   0.095
  402    HZ   PHE  55           HZ       PHE  55  -7.873  -3.275   0.145
  403    HB2  PHE  55           HB2      PHE  55  -4.341  -3.110  -4.420
  404    HB3  PHE  55           HB1      PHE  55  -3.905  -1.567  -3.702
  405    H    ILE  56           HN       ILE  56  -4.704   0.756  -4.249
  406    HA   ILE  56           HA       ILE  56  -7.040   1.551  -2.926
  407    HB   ILE  56           HB       ILE  56  -4.708   3.165  -3.965
  408   HG12  ILE  56          HG12      ILE  56  -5.365   2.161  -1.190
  409   HG13  ILE  56          HG11      ILE  56  -4.269   1.350  -2.300
  410   HG21  ILE  56          HG21      ILE  56  -6.629   4.625  -3.631
  411   HG22  ILE  56          HG22      ILE  56  -5.406   4.903  -2.388
  412   HG23  ILE  56          HG23      ILE  56  -6.854   3.968  -2.010
  413   HD11  ILE  56          HD11      ILE  56  -3.915   4.092  -1.128
  414   HD12  ILE  56          HD12      ILE  56  -2.820   3.319  -2.273
  415   HD13  ILE  56          HD13      ILE  56  -3.050   2.625  -0.668
  416    H    GLU  57           HN       GLU  57  -5.762   2.426  -6.112
  417    HA   GLU  57           HA       GLU  57  -7.895   4.011  -7.015
  418    HB2  GLU  57           HB2      GLU  57  -5.753   2.371  -8.281
  419    HB3  GLU  57           HB1      GLU  57  -7.082   2.887  -9.299
  420    HG2  GLU  57           HG2      GLU  57  -5.449   4.777  -7.629
  421    HG3  GLU  57           HG1      GLU  57  -5.060   4.370  -9.299
  422    H    ASP  58           HN       ASP  58  -7.339   0.533  -7.216
  423    HA   ASP  58           HA       ASP  58  -9.528  -0.285  -8.700
  424    HB2  ASP  58           HB2      ASP  58  -7.667  -1.750  -8.075
  425    HB3  ASP  58           HB1      ASP  58  -8.178  -1.701  -6.397
  426    H    GLN  59           HN       GLN  59  -9.339   0.441  -5.249
  427    HA   GLN  59           HA       GLN  59 -12.019  -0.433  -4.721
  428    HB2  GLN  59           HB2      GLN  59 -10.070   1.186  -3.090
  429    HB3  GLN  59           HB1      GLN  59 -11.676   0.756  -2.522
  430    HG2  GLN  59           HG2      GLN  59  -9.402  -1.093  -3.174
  431    HG3  GLN  59           HG1      GLN  59 -10.148  -0.803  -1.603
  432   HE21  GLN  59          HE21      GLN  59  -9.788  -3.302  -3.023
  433   HE22  GLN  59          HE22      GLN  59 -11.363  -3.977  -3.241
  434    H    GLY  60           HN       GLY  60 -10.672   2.410  -6.035
  435    HA2  GLY  60           HA2      GLY  60 -12.347   3.879  -7.106
  436    HA3  GLY  60           HA1      GLY  60 -13.238   3.814  -5.593
  437    H    GLY  61           HN       GLY  61 -10.033   3.907  -4.823
  438    HA2  GLY  61           HA2      GLY  61  -8.607   5.937  -5.047
  439    HA3  GLY  61           HA1      GLY  61 -10.059   6.853  -4.687
  440    H    LEU  62           HN       LEU  62  -8.394   7.658  -3.044
  441    HA   LEU  62           HA       LEU  62  -7.502   5.990  -0.949
  442    HG   LEU  62           HG       LEU  62  -5.275   8.890  -0.861
  443    HB2  LEU  62           HB2      LEU  62  -7.707   8.950  -1.304
  444    HB3  LEU  62           HB1      LEU  62  -7.283   8.288   0.261
  445   HD11  LEU  62          HD11      LEU  62  -5.642   5.908  -0.977
  446   HD12  LEU  62          HD12      LEU  62  -5.180   6.849   0.441
  447   HD13  LEU  62          HD13      LEU  62  -4.097   6.757  -0.947
  448   HD21  LEU  62          HD21      LEU  62  -6.204   7.176  -3.157
  449   HD22  LEU  62          HD22      LEU  62  -4.627   7.956  -3.030
  450   HD23  LEU  62          HD23      LEU  62  -6.089   8.936  -3.149
  451    H    GLU  63           HN       GLU  63 -10.347   7.987  -1.336
  452    HA   GLU  63           HA       GLU  63 -11.094   8.034   1.380
  453    HB2  GLU  63           HB2      GLU  63 -12.879   8.365  -1.033
  454    HB3  GLU  63           HB1      GLU  63 -13.210   8.922   0.603
  455    HG2  GLU  63           HG2      GLU  63 -11.158   9.950  -1.331
  456    HG3  GLU  63           HG1      GLU  63 -12.509  10.818  -0.602
  457    H    ALA  64           HN       ALA  64 -11.817   5.802  -1.233
  458    HA   ALA  64           HA       ALA  64 -13.863   4.364   0.082
  459    HB1  ALA  64           HB1      ALA  64 -11.921   3.363  -2.000
  460    HB2  ALA  64           HB2      ALA  64 -13.422   4.221  -2.339
  461    HB3  ALA  64           HB3      ALA  64 -13.472   2.634  -1.570
  462    H    VAL  65           HN       VAL  65 -10.373   4.090   0.020
  463    HA   VAL  65           HA       VAL  65 -10.131   1.657   1.439
  464    HB   VAL  65           HB       VAL  65  -8.211   3.976   1.113
  465   HG11  VAL  65          HG11      VAL  65  -7.657   1.214   2.183
  466   HG12  VAL  65          HG12      VAL  65  -7.637   2.711   3.113
  467   HG13  VAL  65          HG13      VAL  65  -6.448   2.450   1.837
  468   HG21  VAL  65          HG21      VAL  65  -8.407   1.308  -0.281
  469   HG22  VAL  65          HG22      VAL  65  -7.123   2.493  -0.524
  470   HG23  VAL  65          HG23      VAL  65  -8.783   2.886  -0.974
  471    H    ARG  66           HN       ARG  66 -10.088   5.049   2.438
  472    HA   ARG  66           HA       ARG  66  -9.557   4.628   5.160
  473    HE   ARG  66           HE       ARG  66  -7.934   9.457   2.512
  474    HB2  ARG  66           HB2      ARG  66 -11.124   6.863   3.866
  475    HB3  ARG  66           HB1      ARG  66 -10.468   6.890   5.500
  476    HG2  ARG  66           HG2      ARG  66  -8.198   6.623   4.501
  477    HG3  ARG  66           HG1      ARG  66  -8.938   6.826   2.913
  478    HD2  ARG  66           HD2      ARG  66  -9.852   9.015   3.716
  479    HD3  ARG  66           HD1      ARG  66  -8.886   8.815   5.177
  480   HH11  ARG  66          HH11      ARG  66  -7.086   8.466   5.770
  481   HH12  ARG  66          HH12      ARG  66  -5.433   8.996   5.634
  482   HH21  ARG  66          HH21      ARG  66  -5.763  10.192   2.370
  483   HH22  ARG  66          HH22      ARG  66  -4.703  10.023   3.740
  484    H    GLN  67           HN       GLN  67 -12.483   4.379   3.298
  485    HA   GLN  67           HA       GLN  67 -14.218   4.464   5.584
  486    HB2  GLN  67           HB2      GLN  67 -14.771   3.757   2.714
  487    HB3  GLN  67           HB1      GLN  67 -15.999   3.845   3.970
  488    HG2  GLN  67           HG2      GLN  67 -14.281   6.094   2.966
  489    HG3  GLN  67           HG1      GLN  67 -16.008   5.875   2.692
  490   HE21  GLN  67          HE21      GLN  67 -14.546   8.084   3.915
  491   HE22  GLN  67          HE22      GLN  67 -15.199   8.278   5.504
  492    H    GLU  68           HN       GLU  68 -12.983   1.940   3.396
  493    HA   GLU  68           HA       GLU  68 -14.446  -0.235   4.272
  494    HB2  GLU  68           HB2      GLU  68 -11.525  -0.151   3.486
  495    HB3  GLU  68           HB1      GLU  68 -12.446  -1.634   3.707
  496    HG2  GLU  68           HG2      GLU  68 -14.045  -0.353   1.986
  497    HG3  GLU  68           HG1      GLU  68 -12.482   0.321   1.523
  498    H    MET  69           HN       MET  69 -11.674   1.288   5.810
  499    HA   MET  69           HA       MET  69 -11.001  -0.584   7.728
  500    HB2  MET  69           HB2      MET  69 -10.943   2.402   7.722
  501    HB3  MET  69           HB1      MET  69 -10.525   1.520   9.185
  502    HG2  MET  69           HG2      MET  69  -8.880   0.233   7.778
  503    HG3  MET  69           HG1      MET  69  -9.176   1.426   6.514
  504    HE1  MET  69           HE1      MET  69  -6.507   0.555   7.944
  505    HE2  MET  69           HE2      MET  69  -5.631   2.057   8.255
  506    HE3  MET  69           HE3      MET  69  -6.396   1.788   6.686
  507    H    ARG  70           HN       ARG  70 -13.647   1.747   7.758
  508    HA   ARG  70           HA       ARG  70 -14.513   0.715  10.376
  509    HE   ARG  70           HE       ARG  70 -11.816   4.738  11.439
  510    HB2  ARG  70           HB2      ARG  70 -15.154   3.336   9.008
  511    HB3  ARG  70           HB1      ARG  70 -15.861   2.814  10.524
  512    HG2  ARG  70           HG2      ARG  70 -14.208   4.219  11.254
  513    HG3  ARG  70           HG1      ARG  70 -13.383   2.662  11.309
  514    HD2  ARG  70           HD2      ARG  70 -12.339   3.125   9.153
  515    HD3  ARG  70           HD1      ARG  70 -13.196   4.665   9.059
  516   HH11  ARG  70          HH11      ARG  70 -10.989   4.489   8.032
  517   HH12  ARG  70          HH12      ARG  70  -9.393   5.156   8.255
  518   HH21  ARG  70          HH21      ARG  70  -9.743   5.631  11.700
  519   HH22  ARG  70          HH22      ARG  70  -8.695   5.796  10.328
  520    H    ARG  71           HN       ARG  71 -15.014  -0.034   7.349
  521    HA   ARG  71           HA       ARG  71 -17.954   0.090   7.459
  522    HE   ARG  71           HE       ARG  71 -17.440   0.666   2.309
  523    HB2  ARG  71           HB2      ARG  71 -16.994   1.431   5.660
  524    HB3  ARG  71           HB1      ARG  71 -16.150   0.021   5.047
  525    HG2  ARG  71           HG2      ARG  71 -18.993  -0.445   5.312
  526    HG3  ARG  71           HG1      ARG  71 -18.627   0.916   4.246
  527    HD2  ARG  71           HD2      ARG  71 -17.154  -1.678   3.987
  528    HD3  ARG  71           HD1      ARG  71 -18.743  -1.469   3.240
  529   HH11  ARG  71          HH11      ARG  71 -16.410  -2.671   2.602
  530   HH12  ARG  71          HH12      ARG  71 -15.401  -2.612   1.187
  531   HH21  ARG  71          HH21      ARG  71 -16.136   0.725   0.402
  532   HH22  ARG  71          HH22      ARG  71 -15.281  -0.715  -0.085
  533    H    GLN  72           HN       GLN  72 -15.293  -1.844   6.208
  534    HA   GLN  72           HA       GLN  72 -15.004  -4.079   5.907
  535    HB2  GLN  72           HB2      GLN  72 -16.096  -4.458   8.097
  536    HB3  GLN  72           HB1      GLN  72 -17.665  -4.452   7.302
  537    HG2  GLN  72           HG2      GLN  72 -16.856  -6.389   5.922
  538    HG3  GLN  72           HG1      GLN  72 -15.449  -6.458   6.983
  539   HE21  GLN  72          HE21      GLN  72 -15.732  -7.092   9.149
  540   HE22  GLN  72          HE22      GLN  72 -17.155  -7.914   9.673
  541    H1   GLY  73           HT1      GLY  73  -3.857 -17.254   4.127
  542    H2   GLY  73           HT2      GLY  73  -4.341 -18.822   4.551
  543    H3   GLY  73           HT3      GLY  73  -3.962 -17.696   5.761
  544    HA2  GLY  73           HA1      GLY  73  -6.248 -17.530   3.874
  545    HA3  GLY  73           HA2      GLY  73  -6.348 -17.958   5.577
  546    H    HIS  74           HN       HIS  74  -7.723 -15.793   4.325
  547    HA   HIS  74           HA       HIS  74  -6.560 -13.597   5.872
  548    HD1  HIS  74           HD1      HIS  74  -8.411 -15.097   2.588
  549    HD2  HIS  74           HD2      HIS  74  -8.267 -10.950   2.136
  550    HE1  HIS  74           HE1      HIS  74 -10.077 -14.549   0.785
  551    HE2  HIS  74           HE2      HIS  74 -10.133 -12.030   0.693
  552    HB2  HIS  74           HB2      HIS  74  -6.813 -11.989   4.148
  553    HB3  HIS  74           HB1      HIS  74  -6.007 -13.358   3.403
  554    H    MET  75           HN       MET  75  -7.979 -12.487   7.060
  555    HA   MET  75           HA       MET  75 -10.790 -12.436   6.399
  556    HB2  MET  75           HB2      MET  75 -10.526 -14.615   7.598
  557    HB3  MET  75           HB1      MET  75  -9.928 -13.731   8.995
  558    HG2  MET  75           HG2      MET  75 -12.067 -12.552   9.162
  559    HG3  MET  75           HG1      MET  75 -12.668 -13.458   7.775
  560    HE1  MET  75           HE1      MET  75 -12.609 -17.138   9.214
  561    HE2  MET  75           HE2      MET  75 -11.330 -16.306   8.328
  562    HE3  MET  75           HE3      MET  75 -13.007 -16.147   7.810
  563    H    LEU  76           HN       LEU  76 -10.050 -10.225   6.268
  564    HA   LEU  76           HA       LEU  76  -9.963  -8.927   8.908
  565    HG   LEU  76           HG       LEU  76  -7.283  -9.822   7.763
  566    HB2  LEU  76           HB2      LEU  76  -8.473  -8.170   6.386
  567    HB3  LEU  76           HB1      LEU  76  -8.625  -7.116   7.782
  568   HD11  LEU  76          HD11      LEU  76  -5.230  -8.557   8.122
  569   HD12  LEU  76          HD12      LEU  76  -6.134  -7.049   7.980
  570   HD13  LEU  76          HD13      LEU  76  -5.996  -8.128   6.593
  571   HD21  LEU  76          HD21      LEU  76  -7.569  -7.790   9.975
  572   HD22  LEU  76          HD22      LEU  76  -6.585  -9.252  10.045
  573   HD23  LEU  76          HD23      LEU  76  -8.339  -9.375   9.908
  574    HA   PRO  77           HA       PRO  77 -13.625  -7.079   7.492
  575    HB2  PRO  77           HB2      PRO  77 -14.030  -5.286   9.422
  576    HB3  PRO  77           HB1      PRO  77 -14.037  -7.022   9.763
  577    HG2  PRO  77           HG2      PRO  77 -11.881  -5.006  10.233
  578    HG3  PRO  77           HG1      PRO  77 -12.417  -6.338  11.272
  579    HD2  PRO  77           HD2      PRO  77 -10.207  -6.427   9.607
  580    HD3  PRO  77           HD1      PRO  77 -11.081  -7.851  10.210
  581    H    ASP  78           HN       ASP  78 -11.210  -5.949   6.196
  582    HA   ASP  78           HA       ASP  78 -12.342  -3.497   5.303
  583    HB2  ASP  78           HB2      ASP  78 -10.617  -1.971   6.050
  584    HB3  ASP  78           HB1      ASP  78 -11.337  -2.761   7.448
  585    H    VAL  79           HN       VAL  79 -10.309  -2.243   4.217
  586    HA   VAL  79           HA       VAL  79  -9.544  -3.354   1.867
  587    HB   VAL  79           HB       VAL  79  -7.331  -1.876   2.541
  588   HG11  VAL  79          HG11      VAL  79  -8.757  -1.658   0.520
  589   HG12  VAL  79          HG12      VAL  79  -8.253  -0.129   1.226
  590   HG13  VAL  79          HG13      VAL  79  -9.895  -0.728   1.492
  591   HG21  VAL  79          HG21      VAL  79  -8.018  -0.005   3.812
  592   HG22  VAL  79          HG22      VAL  79  -8.499  -1.431   4.728
  593   HG23  VAL  79          HG23      VAL  79  -9.698  -0.531   3.793
  594    H    ALA  80           HN       ALA  80  -7.972  -3.802   4.974
  595    HA   ALA  80           HA       ALA  80  -5.432  -4.500   4.238
  596    HB1  ALA  80           HB1      ALA  80  -6.081  -4.069   6.502
  597    HB2  ALA  80           HB2      ALA  80  -5.263  -5.629   6.394
  598    HB3  ALA  80           HB3      ALA  80  -7.022  -5.563   6.557
  599    H    GLN  81           HN       GLN  81  -8.136  -6.844   4.622
  600    HA   GLN  81           HA       GLN  81  -6.436  -9.053   3.959
  601    HB2  GLN  81           HB2      GLN  81  -8.370 -10.431   4.034
  602    HB3  GLN  81           HB1      GLN  81  -8.578  -9.227   5.299
  603    HG2  GLN  81           HG2      GLN  81 -10.174  -8.033   4.031
  604    HG3  GLN  81           HG1      GLN  81  -9.790  -8.937   2.567
  605   HE21  GLN  81          HE21      GLN  81 -12.344  -8.561   3.840
  606   HE22  GLN  81          HE22      GLN  81 -12.941 -10.140   4.232
  607    H    ARG  82           HN       ARG  82  -8.505  -6.894   2.201
  608    HA   ARG  82           HA       ARG  82  -8.664  -8.410  -0.194
  609    HE   ARG  82           HE       ARG  82  -9.745  -6.898  -4.106
  610    HB2  ARG  82           HB2      ARG  82 -10.303  -6.672   0.403
  611    HB3  ARG  82           HB1      ARG  82  -9.051  -5.444   0.262
  612    HG2  ARG  82           HG2      ARG  82 -10.440  -5.471  -1.714
  613    HG3  ARG  82           HG1      ARG  82  -8.795  -5.985  -2.097
  614    HD2  ARG  82           HD2      ARG  82  -9.863  -8.370  -1.588
  615    HD3  ARG  82           HD1      ARG  82 -11.323  -7.531  -2.111
  616   HH11  ARG  82          HH11      ARG  82 -10.074  -9.975  -2.472
  617   HH12  ARG  82          HH12      ARG  82  -9.519 -10.912  -3.826
  618   HH21  ARG  82          HH21      ARG  82  -9.003  -8.121  -5.901
  619   HH22  ARG  82          HH22      ARG  82  -8.904  -9.856  -5.778
  620    H    LEU  83           HN       LEU  83  -6.296  -6.425   1.227
  621    HA   LEU  83           HA       LEU  83  -4.912  -5.679  -1.175
  622    HG   LEU  83           HG       LEU  83  -4.830  -3.420  -0.052
  623    HB2  LEU  83           HB2      LEU  83  -4.640  -5.202   1.658
  624    HB3  LEU  83           HB1      LEU  83  -3.091  -5.651   0.969
  625   HD11  LEU  83          HD11      LEU  83  -2.338  -3.273   1.621
  626   HD12  LEU  83          HD12      LEU  83  -3.978  -2.931   2.177
  627   HD13  LEU  83          HD13      LEU  83  -3.229  -1.906   0.953
  628   HD21  LEU  83          HD21      LEU  83  -3.421  -4.384  -1.781
  629   HD22  LEU  83          HD22      LEU  83  -2.009  -4.212  -0.736
  630   HD23  LEU  83          HD23      LEU  83  -2.844  -2.779  -1.333
  631    H    MET  84           HN       MET  84  -4.553  -8.170   1.286
  632    HA   MET  84           HA       MET  84  -2.168  -9.333   0.543
  633    HB2  MET  84           HB2      MET  84  -4.654 -10.798   1.459
  634    HB3  MET  84           HB1      MET  84  -3.002 -11.386   1.566
  635    HG2  MET  84           HG2      MET  84  -2.442  -9.679   3.163
  636    HG3  MET  84           HG1      MET  84  -4.039  -8.951   2.988
  637    HE1  MET  84           HE1      MET  84  -4.313  -9.000   5.626
  638    HE2  MET  84           HE2      MET  84  -2.719  -9.741   5.777
  639    HE3  MET  84           HE3      MET  84  -4.107 -10.452   6.602
  640    H    GLN  85           HN       GLN  85  -5.402  -9.936  -0.741
  641    HA   GLN  85           HA       GLN  85  -4.584 -11.981  -2.542
  642    HB2  GLN  85           HB2      GLN  85  -7.068 -10.267  -2.477
  643    HB3  GLN  85           HB1      GLN  85  -6.845 -11.660  -3.530
  644    HG2  GLN  85           HG2      GLN  85  -6.828 -11.713  -0.520
  645    HG3  GLN  85           HG1      GLN  85  -8.172 -12.200  -1.554
  646   HE21  GLN  85          HE21      GLN  85  -6.621 -13.735   0.406
  647   HE22  GLN  85          HE22      GLN  85  -6.004 -15.098  -0.456
  648    H    HIS  86           HN       HIS  86  -5.041  -8.499  -2.818
  649    HA   HIS  86           HA       HIS  86  -5.003  -8.401  -5.649
  650    HD1  HIS  86           HD1      HIS  86  -6.833  -6.212  -6.528
  651    HD2  HIS  86           HD2      HIS  86  -3.112  -4.533  -5.694
  652    HE1  HIS  86           HE1      HIS  86  -6.424  -4.528  -8.344
  653    HE2  HIS  86           HE2      HIS  86  -4.121  -3.621  -7.914
  654    HB2  HIS  86           HB2      HIS  86  -5.911  -6.636  -4.082
  655    HB3  HIS  86           HB1      HIS  86  -4.247  -6.160  -3.772
  656    H    LEU  87           HN       LEU  87  -2.457  -8.255  -3.205
  657    HA   LEU  87           HA       LEU  87  -0.407  -7.686  -5.148
  658    HG   LEU  87           HG       LEU  87   1.367  -6.415  -2.467
  659    HB2  LEU  87           HB2      LEU  87  -0.326  -8.528  -2.265
  660    HB3  LEU  87           HB1      LEU  87   1.129  -8.495  -3.234
  661   HD11  LEU  87          HD11      LEU  87   0.739  -5.981  -4.795
  662   HD12  LEU  87          HD12      LEU  87   0.300  -4.651  -3.723
  663   HD13  LEU  87          HD13      LEU  87  -0.939  -5.773  -4.293
  664   HD21  LEU  87          HD21      LEU  87  -0.365  -5.124  -1.362
  665   HD22  LEU  87          HD22      LEU  87  -0.328  -6.782  -0.754
  666   HD23  LEU  87          HD23      LEU  87  -1.585  -6.288  -1.889
  667    H    ALA  88           HN       ALA  88  -1.702 -10.535  -3.556
  668    HA   ALA  88           HA       ALA  88   0.204 -12.417  -4.323
  669    HB1  ALA  88           HB1      ALA  88  -1.575 -12.840  -2.680
  670    HB2  ALA  88           HB2      ALA  88  -1.500 -14.093  -3.919
  671    HB3  ALA  88           HB3      ALA  88  -2.759 -12.861  -3.986
  672    H    GLU  89           HN       GLU  89  -2.503 -11.085  -6.094
  673    HA   GLU  89           HA       GLU  89  -2.644 -12.898  -8.217
  674    HB2  GLU  89           HB2      GLU  89  -3.292  -9.962  -8.098
  675    HB3  GLU  89           HB1      GLU  89  -3.657 -10.996  -9.469
  676    HG2  GLU  89           HG2      GLU  89  -4.671 -11.535  -6.698
  677    HG3  GLU  89           HG1      GLU  89  -5.550 -10.579  -7.892
  678    H    HIS  90           HN       HIS  90  -0.228 -10.496  -7.558
  679    HA   HIS  90           HA       HIS  90   0.671 -10.686 -10.365
  680    HD1  HIS  90           HD1      HIS  90   0.256  -8.287 -12.158
  681    HD2  HIS  90           HD2      HIS  90  -1.733  -7.638  -8.563
  682    HE1  HIS  90           HE1      HIS  90  -1.910  -7.159 -12.774
  683    HE2  HIS  90           HE2      HIS  90  -2.988  -6.578 -10.567
  684    HB2  HIS  90           HB2      HIS  90   0.928  -8.365  -8.460
  685    HB3  HIS  90           HB1      HIS  90   1.753  -8.455 -10.010
  686    H    GLY  91           HN       GLY  91   1.419 -11.955  -7.520
  687    HA2  GLY  91           HA2      GLY  91   3.299 -13.113  -6.861
  688    HA3  GLY  91           HA1      GLY  91   4.044 -12.653  -8.381
  689    H    ILE  92           HN       ILE  92   2.852 -10.275  -6.140
  690    HA   ILE  92           HA       ILE  92   5.069  -8.710  -5.840
  691    HB   ILE  92           HB       ILE  92   2.613  -9.246  -4.280
  692   HG12  ILE  92          HG12      ILE  92   2.538  -6.715  -4.454
  693   HG13  ILE  92          HG11      ILE  92   4.004  -6.845  -5.416
  694   HG21  ILE  92          HG21      ILE  92   3.212  -7.787  -2.430
  695   HG22  ILE  92          HG22      ILE  92   4.871  -7.704  -3.029
  696   HG23  ILE  92          HG23      ILE  92   4.213  -9.239  -2.460
  697   HD11  ILE  92          HD11      ILE  92   2.823  -8.233  -7.030
  698   HD12  ILE  92          HD12      ILE  92   2.074  -6.648  -6.834
  699   HD13  ILE  92          HD13      ILE  92   1.349  -8.066  -6.076
  700    H    GLN  93           HN       GLN  93   6.734  -8.518  -4.302
  701    HA   GLN  93           HA       GLN  93   7.684 -11.040  -3.219
  702    HB2  GLN  93           HB2      GLN  93   8.918  -8.282  -3.255
  703    HB3  GLN  93           HB1      GLN  93   9.693  -9.694  -2.556
  704    HG2  GLN  93           HG2      GLN  93  10.666  -9.549  -4.636
  705    HG3  GLN  93           HG1      GLN  93   9.392 -10.739  -4.893
  706   HE21  GLN  93          HE21      GLN  93   8.886  -7.294  -4.566
  707   HE22  GLN  93          HE22      GLN  93   8.390  -7.017  -6.199
  708    HA   PRO  94           HA       PRO  94   6.144 -10.281   0.937
  709    HB2  PRO  94           HB2      PRO  94   8.120 -12.380   1.588
  710    HB3  PRO  94           HB1      PRO  94   6.377 -12.360   1.866
  711    HG2  PRO  94           HG2      PRO  94   7.463 -13.933  -0.005
  712    HG3  PRO  94           HG1      PRO  94   5.893 -13.145  -0.257
  713    HD2  PRO  94           HD2      PRO  94   8.590 -12.376  -1.313
  714    HD3  PRO  94           HD1      PRO  94   7.018 -12.385  -2.137
  715    H    ALA  95           HN       ALA  95   7.309 -10.036   3.118
  716    HA   ALA  95           HA       ALA  95   9.225  -7.956   2.835
  717    HB1  ALA  95           HB1      ALA  95   9.082  -7.715   5.185
  718    HB2  ALA  95           HB2      ALA  95   8.475  -9.357   5.380
  719    HB3  ALA  95           HB3      ALA  95   7.470  -8.132   4.609
  720    H    ARG  96           HN       ARG  96  10.640  -9.507   1.592
  721    HA   ARG  96           HA       ARG  96  12.957  -9.980   3.247
  722    HE   ARG  96           HE       ARG  96  16.214 -12.614   3.464
  723    HB2  ARG  96           HB2      ARG  96  11.655 -12.154   3.289
  724    HB3  ARG  96           HB1      ARG  96  11.929 -12.268   1.557
  725    HG2  ARG  96           HG2      ARG  96  13.524 -13.624   2.793
  726    HG3  ARG  96           HG1      ARG  96  14.341 -12.311   1.940
  727    HD2  ARG  96           HD2      ARG  96  14.277 -10.996   4.053
  728    HD3  ARG  96           HD1      ARG  96  13.646 -12.424   4.869
  729   HH11  ARG  96          HH11      ARG  96  14.362 -12.663   6.436
  730   HH12  ARG  96          HH12      ARG  96  15.726 -13.101   7.423
  731   HH21  ARG  96          HH21      ARG  96  18.014 -13.192   4.771
  732   HH22  ARG  96          HH22      ARG  96  17.787 -13.423   6.480
  733    H    ASN  97           HN       ASN  97  11.688  -8.528   0.893
  734    HA   ASN  97           HA       ASN  97  13.268  -9.275  -1.401
  735    HB2  ASN  97           HB2      ASN  97  12.038  -7.347  -2.457
  736    HB3  ASN  97           HB1      ASN  97  10.998  -8.606  -1.806
  737   HD21  ASN  97          HD21      ASN  97  10.358  -5.839  -2.367
  738   HD22  ASN  97          HD22      ASN  97   9.842  -5.146  -0.863
  739    H    MET  98           HN       MET  98  15.285  -8.861  -0.139
  740    HA   MET  98           HA       MET  98  17.026  -7.623   0.640
  741    HB2  MET  98           HB2      MET  98  18.001  -6.080  -0.998
  742    HB3  MET  98           HB1      MET  98  17.491  -7.586  -1.735
  743    HG2  MET  98           HG2      MET  98  15.506  -6.467  -2.626
  744    HG3  MET  98           HG1      MET  98  16.027  -4.957  -1.879
  745    HE1  MET  98           HE1      MET  98  18.252  -3.643  -2.601
  746    HE2  MET  98           HE2      MET  98  19.365  -4.229  -3.838
  747    HE3  MET  98           HE3      MET  98  19.190  -5.110  -2.319
  748    H    ALA  99           HN       ALA  99  16.283  -6.794   2.510
  749    HA   ALA  99           HA       ALA  99  14.375  -4.769   2.783
  750    HB1  ALA  99           HB1      ALA  99  16.448  -5.671   4.773
  751    HB2  ALA  99           HB2      ALA  99  14.856  -6.389   4.529
  752    HB3  ALA  99           HB3      ALA  99  14.997  -4.740   5.140
  753    H    GLU 100           HN       GLU 100  17.741  -4.512   2.123
  754    HA   GLU 100           HA       GLU 100  18.466  -2.095   3.260
  755    HB2  GLU 100           HB2      GLU 100  19.989  -3.575   1.996
  756    HB3  GLU 100           HB1      GLU 100  19.185  -3.106   0.505
  757    HG2  GLU 100           HG2      GLU 100  19.914  -0.804   0.824
  758    HG3  GLU 100           HG1      GLU 100  20.714  -1.263   2.328
  759    H    HIS 101           HN       HIS 101  17.384  -2.415  -0.126
  760    HA   HIS 101           HA       HIS 101  16.300  -1.007  -1.532
  761    HD1  HIS 101           HD1      HIS 101  12.399  -1.659   0.883
  762    HD2  HIS 101           HD2      HIS 101  15.079  -2.765  -2.092
  763    HE1  HIS 101           HE1      HIS 101  11.490  -3.792  -0.079
  764    HE2  HIS 101           HE2      HIS 101  13.252  -4.556  -1.709
  765    HB2  HIS 101           HB2      HIS 101  14.799  -0.534   1.023
  766    HB3  HIS 101           HB1      HIS 101  14.343   0.264  -0.476
  767    H    ILE 102           HN       ILE 102  18.664   0.052  -0.998
  768    HA   ILE 102           HA       ILE 102  18.069   2.918  -0.659
  769    HB   ILE 102           HB       ILE 102  19.854   1.959   0.849
  770   HG12  ILE 102          HG12      ILE 102  20.792   4.058  -1.122
  771   HG13  ILE 102          HG11      ILE 102  19.767   4.360   0.277
  772   HG21  ILE 102          HG21      ILE 102  21.377   1.671  -1.736
  773   HG22  ILE 102          HG22      ILE 102  20.830   0.359  -0.691
  774   HG23  ILE 102          HG23      ILE 102  22.056   1.489  -0.118
  775   HD11  ILE 102          HD11      ILE 102  21.572   3.664   1.756
  776   HD12  ILE 102          HD12      ILE 102  22.077   4.988   0.707
  777   HD13  ILE 102          HD13      ILE 102  22.597   3.339   0.360
  778    HA   PRO 103           HA       PRO 103  18.279   3.357  -5.049
  779    HB2  PRO 103           HB2      PRO 103  19.382   5.922  -5.057
  780    HB3  PRO 103           HB1      PRO 103  17.662   5.542  -4.981
  781    HG2  PRO 103           HG2      PRO 103  19.546   6.248  -2.781
  782    HG3  PRO 103           HG1      PRO 103  17.836   6.677  -2.982
  783    HD2  PRO 103           HD2      PRO 103  18.613   4.764  -1.265
  784    HD3  PRO 103           HD1      PRO 103  17.101   4.622  -2.190
  785    HA   PRO 104           HA       PRO 104  22.404   1.749  -5.615
  786    HB2  PRO 104           HB2      PRO 104  22.255   1.949  -8.407
  787    HB3  PRO 104           HB1      PRO 104  21.809   0.544  -7.439
  788    HG2  PRO 104           HG2      PRO 104  20.082   2.685  -8.587
  789    HG3  PRO 104           HG1      PRO 104  19.745   0.956  -8.380
  790    HD2  PRO 104           HD2      PRO 104  18.665   2.781  -6.753
  791    HD3  PRO 104           HD1      PRO 104  19.205   1.205  -6.134
  792    H    ALA 105           HN       ALA 105  23.993   3.085  -5.131
  793    HA   ALA 105           HA       ALA 105  24.197   5.713  -6.328
  794    HB1  ALA 105           HB1      ALA 105  25.985   4.316  -4.331
  795    HB2  ALA 105           HB2      ALA 105  24.668   5.423  -3.944
  796    HB3  ALA 105           HB3      ALA 105  26.092   6.013  -4.800
  797    HA   PRO 106           HA       PRO 106  26.883   4.411  -9.625
  798    HB2  PRO 106           HB2      PRO 106  27.706   7.246  -9.668
  799    HB3  PRO 106           HB1      PRO 106  26.952   6.274 -10.936
  800    HG2  PRO 106           HG2      PRO 106  25.582   8.180  -9.651
  801    HG3  PRO 106           HG1      PRO 106  24.816   6.659 -10.149
  802    HD2  PRO 106           HD2      PRO 106  25.810   7.480  -7.441
  803    HD3  PRO 106           HD1      PRO 106  24.309   6.634  -7.878
  804    H    ASN 107           HN       ASN 107  27.837   6.167  -6.804
  805    HA   ASN 107           HA       ASN 107  29.579   5.855  -5.391
  806    HB2  ASN 107           HB2      ASN 107  29.458   3.466  -6.171
  807    HB3  ASN 107           HB1      ASN 107  30.686   3.855  -7.368
  808   HD21  ASN 107          HD21      ASN 107  30.007   3.504  -3.968
  809   HD22  ASN 107          HD22      ASN 107  31.649   3.354  -3.452
  810    H    TRP 108           HN       TRP 108  29.804   7.023  -8.460
  811    HA   TRP 108           HA       TRP 108  32.589   7.890  -8.155
  812    HD1  TRP 108           HD1      TRP 108  34.654   8.048 -10.162
  813    HE1  TRP 108           HE1      TRP 108  35.484   9.876 -11.775
  814    HE3  TRP 108           HE3      TRP 108  30.154   9.547 -12.054
  815    HZ2  TRP 108           HZ2      TRP 108  34.366  11.709 -13.610
  816    HZ3  TRP 108           HZ3      TRP 108  30.118  11.342 -13.733
  817    HH2  TRP 108           HH2      TRP 108  32.181  12.400 -14.495
  818    HB2  TRP 108           HB2      TRP 108  32.189   6.687 -10.220
  819    HB3  TRP 108           HB1      TRP 108  30.815   7.718 -10.600
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -22.954  13.255   3.780
    2    H2   GLY   1           HT2      GLY   1 -21.825  13.667   4.976
    3    H3   GLY   1           HT3      GLY   1 -22.464  12.099   4.916
    4    HA2  GLY   1           HA1      GLY   1 -21.398  11.679   2.811
    5    HA3  GLY   1           HA2      GLY   1 -20.764  13.319   2.816
    6    H    HIS   2           HN       HIS   2 -19.825  10.276   3.206
    7    HA   HIS   2           HA       HIS   2 -18.186  10.645   5.582
    8    HD1  HIS   2           HD1      HIS   2 -20.155   6.604   4.543
    9    HD2  HIS   2           HD2      HIS   2 -19.210   9.470   7.410
   10    HE1  HIS   2           HE1      HIS   2 -21.671   6.137   6.498
   11    HE2  HIS   2           HE2      HIS   2 -20.937   7.750   8.292
   12    HB2  HIS   2           HB2      HIS   2 -18.552   8.326   3.689
   13    HB3  HIS   2           HB1      HIS   2 -17.342   8.324   4.966
   14    H    MET   3           HN       MET   3 -17.282  12.568   4.252
   15    HA   MET   3           HA       MET   3 -15.142  11.756   2.452
   16    HB2  MET   3           HB2      MET   3 -16.112  14.473   3.348
   17    HB3  MET   3           HB1      MET   3 -14.741  14.231   2.274
   18    HG2  MET   3           HG2      MET   3 -17.562  13.343   1.716
   19    HG3  MET   3           HG1      MET   3 -16.805  14.802   1.079
   20    HE1  MET   3           HE1      MET   3 -13.975  13.321  -1.190
   21    HE2  MET   3           HE2      MET   3 -13.825  13.758   0.513
   22    HE3  MET   3           HE3      MET   3 -14.742  14.788  -0.587
   23    H    SER   4           HN       SER   4 -14.222  10.543   4.307
   24    HA   SER   4           HA       SER   4 -12.871  12.131   6.317
   25    HG   SER   4           HG       SER   4 -12.397   8.820   5.000
   26    HB2  SER   4           HB2      SER   4 -12.059   9.829   7.060
   27    HB3  SER   4           HB1      SER   4 -13.803  10.088   7.117
   28    H    GLY   5           HN       GLY   5 -11.411  13.330   5.009
   29    HA2  GLY   5           HA2      GLY   5  -8.891  13.022   4.998
   30    HA3  GLY   5           HA1      GLY   5  -9.219  11.704   3.886
   31    H    PHE   6           HN       PHE   6  -7.596  13.180   2.737
   32    HA   PHE   6           HA       PHE   6  -8.770  15.471   1.426
   33    HD1  PHE   6           HD1      PHE   6  -5.580  13.045  -0.313
   34    HD2  PHE   6           HD2      PHE   6  -5.596  14.713   3.601
   35    HE1  PHE   6           HE1      PHE   6  -3.936  11.365   0.408
   36    HE2  PHE   6           HE2      PHE   6  -3.955  13.034   4.329
   37    HZ   PHE   6           HZ       PHE   6  -3.120  11.357   2.729
   38    HB2  PHE   6           HB2      PHE   6  -6.480  15.275   0.125
   39    HB3  PHE   6           HB1      PHE   6  -6.542  15.913   1.764
   40    H    LYS   7           HN       LYS   7  -9.091  15.669  -0.837
   41    HA   LYS   7           HA       LYS   7 -10.325  13.252  -1.808
   42    HB2  LYS   7           HB2      LYS   7 -11.540  15.388  -1.888
   43    HB3  LYS   7           HB1      LYS   7 -10.327  16.035  -2.984
   44    HG2  LYS   7           HG2      LYS   7 -12.353  15.335  -4.164
   45    HG3  LYS   7           HG1      LYS   7 -10.940  14.409  -4.673
   46    HD2  LYS   7           HD2      LYS   7 -11.651  12.627  -3.046
   47    HD3  LYS   7           HD1      LYS   7 -13.153  13.524  -2.827
   48    HE2  LYS   7           HE2      LYS   7 -13.726  13.243  -5.137
   49    HE3  LYS   7           HE1      LYS   7 -12.143  12.543  -5.491
   50    HZ1  LYS   7           HZ1      LYS   7 -12.711  10.710  -3.957
   51    HZ2  LYS   7           HZ2      LYS   7 -13.731  10.789  -5.307
   52    HZ3  LYS   7           HZ3      LYS   7 -14.279  11.348  -3.803
   53    H    HIS   8           HN       HIS   8  -8.563  12.018  -2.284
   54    HA   HIS   8           HA       HIS   8  -6.868  11.193  -3.668
   55    HD1  HIS   8           HD1      HIS   8  -9.024  10.295  -7.591
   56    HD2  HIS   8           HD2      HIS   8  -6.323   8.873  -4.774
   57    HE1  HIS   8           HE1      HIS   8  -7.547   8.673  -8.819
   58    HE2  HIS   8           HE2      HIS   8  -6.121   7.615  -7.022
   59    HB2  HIS   8           HB2      HIS   8  -9.067  10.194  -4.133
   60    HB3  HIS   8           HB1      HIS   8  -9.325  11.380  -5.407
   61    H    VAL   9           HN       VAL   9  -5.287  12.755  -4.086
   62    HA   VAL   9           HA       VAL   9  -5.010  13.307  -6.876
   63    HB   VAL   9           HB       VAL   9  -6.367  15.279  -6.134
   64   HG11  VAL   9          HG11      VAL   9  -5.498  15.525  -3.878
   65   HG12  VAL   9          HG12      VAL   9  -5.302  17.022  -4.792
   66   HG13  VAL   9          HG13      VAL   9  -3.916  15.965  -4.522
   67   HG21  VAL   9          HG21      VAL   9  -4.974  16.963  -7.233
   68   HG22  VAL   9          HG22      VAL   9  -4.931  15.422  -8.091
   69   HG23  VAL   9          HG23      VAL   9  -3.573  15.903  -7.075
   70    H    SER  10           HN       SER  10  -3.931  13.259  -3.651
   71    HA   SER  10           HA       SER  10  -1.339  14.172  -3.720
   72    HG   SER  10           HG       SER  10  -3.863  12.627  -1.701
   73    HB2  SER  10           HB2      SER  10  -1.136  12.171  -1.945
   74    HB3  SER  10           HB1      SER  10  -2.011  13.668  -1.593
   75    H    HIS  11           HN       HIS  11  -2.610  11.215  -5.036
   76    HA   HIS  11           HA       HIS  11  -1.702   9.292  -5.824
   77    HD1  HIS  11           HD1      HIS  11  -1.656   9.105  -8.472
   78    HD2  HIS  11           HD2      HIS  11   0.007  12.895  -8.044
   79    HE1  HIS  11           HE1      HIS  11  -2.483  10.437 -10.440
   80    HE2  HIS  11           HE2      HIS  11  -1.613  12.768 -10.065
   81    HB2  HIS  11           HB2      HIS  11   0.733  11.041  -6.226
   82    HB3  HIS  11           HB1      HIS  11   0.585   9.399  -6.833
   83    H    VAL  12           HN       VAL  12  -1.556  10.092  -3.032
   84    HA   VAL  12           HA       VAL  12  -0.792   9.449  -1.017
   85    HB   VAL  12           HB       VAL  12  -0.408   7.119  -0.645
   86   HG11  VAL  12          HG11      VAL  12  -2.677   7.813  -1.104
   87   HG12  VAL  12          HG12      VAL  12  -2.392   6.179  -1.705
   88   HG13  VAL  12          HG13      VAL  12  -2.430   7.539  -2.828
   89   HG21  VAL  12          HG21      VAL  12  -0.083   6.831  -3.627
   90   HG22  VAL  12          HG22      VAL  12  -0.196   5.500  -2.476
   91   HG23  VAL  12          HG23      VAL  12   1.173   6.609  -2.408
   92    H    GLY  13           HN       GLY  13   1.323  10.600  -2.893
   93    HA2  GLY  13           HA2      GLY  13   3.564  11.104  -2.718
   94    HA3  GLY  13           HA1      GLY  13   3.517  10.384  -1.115
   95    H    TRP  14           HN       TRP  14   2.517   8.545  -3.842
   96    HA   TRP  14           HA       TRP  14   4.530   6.563  -3.312
   97    HD1  TRP  14           HD1      TRP  14   3.953   3.540  -4.040
   98    HE1  TRP  14           HE1      TRP  14   4.516   2.133  -6.125
   99    HE3  TRP  14           HE3      TRP  14   2.587   6.867  -7.667
  100    HZ2  TRP  14           HZ2      TRP  14   4.384   2.394  -8.930
  101    HZ3  TRP  14           HZ3      TRP  14   2.826   6.210 -10.025
  102    HH2  TRP  14           HH2      TRP  14   3.708   4.019 -10.643
  103    HB2  TRP  14           HB2      TRP  14   2.355   5.742  -3.792
  104    HB3  TRP  14           HB1      TRP  14   2.195   6.762  -5.214
  105    H    ASP  15           HN       ASP  15   6.378   6.285  -4.350
  106    HA   ASP  15           HA       ASP  15   6.881   7.810  -6.806
  107    HB2  ASP  15           HB2      ASP  15   8.539   8.227  -5.133
  108    HB3  ASP  15           HB1      ASP  15   8.756   6.507  -4.820
  109    HA   PRO  16           HA       PRO  16   6.188   4.409  -9.452
  110    HB2  PRO  16           HB2      PRO  16   8.628   5.469 -10.803
  111    HB3  PRO  16           HB1      PRO  16   7.050   5.060 -11.485
  112    HG2  PRO  16           HG2      PRO  16   7.748   7.600 -11.041
  113    HG3  PRO  16           HG1      PRO  16   6.085   7.039 -10.788
  114    HD2  PRO  16           HD2      PRO  16   8.168   7.740  -8.785
  115    HD3  PRO  16           HD1      PRO  16   6.399   7.831  -8.670
  116    H    GLN  17           HN       GLN  17   9.455   4.940  -8.180
  117    HA   GLN  17           HA       GLN  17  10.116   2.147  -8.826
  118    HB2  GLN  17           HB2      GLN  17  11.983   4.384  -8.062
  119    HB3  GLN  17           HB1      GLN  17  12.434   2.770  -8.589
  120    HG2  GLN  17           HG2      GLN  17  11.438   3.193 -10.773
  121    HG3  GLN  17           HG1      GLN  17  10.977   4.810 -10.248
  122   HE21  GLN  17          HE21      GLN  17  12.675   3.988 -12.449
  123   HE22  GLN  17          HE22      GLN  17  14.219   4.742 -12.184
  124    H    ASN  18           HN       ASN  18  10.329   4.509  -6.153
  125    HA   ASN  18           HA       ASN  18  11.140   2.323  -4.375
  126    HB2  ASN  18           HB2      ASN  18  11.260   5.306  -4.100
  127    HB3  ASN  18           HB1      ASN  18  11.499   4.231  -2.726
  128   HD21  ASN  18          HD21      ASN  18  12.777   2.162  -4.305
  129   HD22  ASN  18          HD22      ASN  18  14.363   2.743  -4.676
  130    H    GLY  19           HN       GLY  19   8.300   3.727  -5.272
  131    HA2  GLY  19           HA2      GLY  19   6.196   3.211  -4.514
  132    HA3  GLY  19           HA1      GLY  19   6.941   2.241  -3.258
  133    H    PHE  20           HN       PHE  20   6.130   2.820  -1.405
  134    HA   PHE  20           HA       PHE  20   5.001   5.457  -1.022
  135    HD1  PHE  20           HD1      PHE  20   4.187   1.603  -1.097
  136    HD2  PHE  20           HD2      PHE  20   2.140   5.120   0.150
  137    HE1  PHE  20           HE1      PHE  20   2.176   0.859  -2.299
  138    HE2  PHE  20           HE2      PHE  20   0.127   4.375  -1.048
  139    HZ   PHE  20           HZ       PHE  20   0.118   2.238  -2.228
  140    HB2  PHE  20           HB2      PHE  20   5.026   2.990   0.722
  141    HB3  PHE  20           HB1      PHE  20   4.221   4.492   1.157
  142    H    ASP  21           HN       ASP  21   5.633   6.957   0.445
  143    HA   ASP  21           HA       ASP  21   8.291   6.766   1.561
  144    HB2  ASP  21           HB2      ASP  21   7.292   8.899   0.649
  145    HB3  ASP  21           HB1      ASP  21   6.218   8.914   2.047
  146    H    VAL  22           HN       VAL  22   8.664   5.719   3.419
  147    HA   VAL  22           HA       VAL  22   6.351   4.915   4.990
  148    HB   VAL  22           HB       VAL  22   7.887   3.334   6.095
  149   HG11  VAL  22          HG11      VAL  22   8.157   1.852   4.200
  150   HG12  VAL  22          HG12      VAL  22   7.978   3.209   3.086
  151   HG13  VAL  22          HG13      VAL  22   6.618   2.706   4.091
  152   HG21  VAL  22          HG21      VAL  22  10.135   2.988   5.172
  153   HG22  VAL  22          HG22      VAL  22   9.969   4.576   5.922
  154   HG23  VAL  22          HG23      VAL  22   9.934   4.423   4.165
  155    H    ASN  23           HN       ASN  23   8.849   7.238   5.270
  156    HA   ASN  23           HA       ASN  23   8.630   7.302   8.171
  157    HB2  ASN  23           HB2      ASN  23  10.242   9.116   8.136
  158    HB3  ASN  23           HB1      ASN  23  10.825   7.791   7.139
  159   HD21  ASN  23          HD21      ASN  23   9.682  11.058   7.192
  160   HD22  ASN  23          HD22      ASN  23  10.099  11.441   5.552
  161    H    ASN  24           HN       ASN  24   7.172   8.718   5.416
  162    HA   ASN  24           HA       ASN  24   5.529  10.360   7.231
  163    HB2  ASN  24           HB2      ASN  24   6.581  11.043   4.497
  164    HB3  ASN  24           HB1      ASN  24   5.121  11.803   5.122
  165   HD21  ASN  24          HD21      ASN  24   7.785  12.891   4.463
  166   HD22  ASN  24          HD22      ASN  24   8.315  13.701   5.899
  167    H    LEU  25           HN       LEU  25   4.799   7.873   6.952
  168    HA   LEU  25           HA       LEU  25   3.009   7.476   4.734
  169    HG   LEU  25           HG       LEU  25   4.800   5.480   4.780
  170    HB2  LEU  25           HB2      LEU  25   3.930   5.901   7.056
  171    HB3  LEU  25           HB1      LEU  25   2.312   5.535   6.484
  172   HD11  LEU  25          HD11      LEU  25   4.829   3.751   6.511
  173   HD12  LEU  25          HD12      LEU  25   4.608   3.061   4.904
  174   HD13  LEU  25          HD13      LEU  25   3.231   3.211   5.996
  175   HD21  LEU  25          HD21      LEU  25   2.011   4.480   4.224
  176   HD22  LEU  25          HD22      LEU  25   3.403   4.381   3.142
  177   HD23  LEU  25          HD23      LEU  25   2.718   5.952   3.558
  178    H    ASP  26           HN       ASP  26   0.893   7.812   4.657
  179    HA   ASP  26           HA       ASP  26  -0.439   9.525   6.414
  180    HB2  ASP  26           HB2      ASP  26  -1.243   9.348   4.185
  181    HB3  ASP  26           HB1      ASP  26  -1.410   7.602   4.304
  182    HA   PRO  27           HA       PRO  27  -1.267   7.162  10.036
  183    HB2  PRO  27           HB2      PRO  27  -3.961   8.444   9.765
  184    HB3  PRO  27           HB1      PRO  27  -2.931   8.286  11.195
  185    HG2  PRO  27           HG2      PRO  27  -3.041  10.583   9.863
  186    HG3  PRO  27           HG1      PRO  27  -1.508   9.987  10.520
  187    HD2  PRO  27           HD2      PRO  27  -2.445  10.082   7.705
  188    HD3  PRO  27           HD1      PRO  27  -0.795  10.162   8.352
  189    H    ASP  28           HN       ASP  28  -4.074   7.304   7.817
  190    HA   ASP  28           HA       ASP  28  -5.143   4.839   8.767
  191    HB2  ASP  28           HB2      ASP  28  -5.784   6.454   6.290
  192    HB3  ASP  28           HB1      ASP  28  -6.663   5.009   6.772
  193    H    LEU  29           HN       LEU  29  -3.307   5.769   5.858
  194    HA   LEU  29           HA       LEU  29  -3.269   3.225   4.667
  195    HG   LEU  29           HG       LEU  29  -3.316   6.200   3.672
  196    HB2  LEU  29           HB2      LEU  29  -1.187   5.403   4.575
  197    HB3  LEU  29           HB1      LEU  29  -1.237   4.019   3.501
  198   HD11  LEU  29          HD11      LEU  29  -1.198   5.559   1.630
  199   HD12  LEU  29          HD12      LEU  29  -1.311   6.996   2.647
  200   HD13  LEU  29          HD13      LEU  29  -2.510   6.716   1.387
  201   HD21  LEU  29          HD21      LEU  29  -4.328   4.053   3.110
  202   HD22  LEU  29          HD22      LEU  29  -3.138   3.816   1.831
  203   HD23  LEU  29          HD23      LEU  29  -4.312   5.127   1.710
  204    H    ARG  30           HN       ARG  30  -1.126   4.726   7.033
  205    HA   ARG  30           HA       ARG  30   0.805   2.710   7.225
  206    HE   ARG  30           HE       ARG  30   3.474   3.067  11.395
  207    HB2  ARG  30           HB2      ARG  30   0.868   5.042   8.209
  208    HB3  ARG  30           HB1      ARG  30  -0.163   4.449   9.500
  209    HG2  ARG  30           HG2      ARG  30   2.478   3.166   8.887
  210    HG3  ARG  30           HG1      ARG  30   2.358   4.591   9.918
  211    HD2  ARG  30           HD2      ARG  30   0.745   3.328  11.342
  212    HD3  ARG  30           HD1      ARG  30   1.080   1.898  10.366
  213   HH11  ARG  30          HH11      ARG  30   0.764   0.994  12.230
  214   HH12  ARG  30          HH12      ARG  30   1.622   0.188  13.510
  215   HH21  ARG  30          HH21      ARG  30   4.587   2.008  13.090
  216   HH22  ARG  30          HH22      ARG  30   3.780   0.767  13.996
  217    H    SER  31           HN       SER  31  -2.252   3.186   8.946
  218    HA   SER  31           HA       SER  31  -2.107   0.921  10.605
  219    HG   SER  31           HG       SER  31  -3.995   1.176  12.104
  220    HB2  SER  31           HB2      SER  31  -3.799   2.900  10.649
  221    HB3  SER  31           HB1      SER  31  -4.694   1.963   9.461
  222    H    LEU  32           HN       LEU  32  -3.559   1.437   7.431
  223    HA   LEU  32           HA       LEU  32  -4.728  -1.066   7.090
  224    HG   LEU  32           HG       LEU  32  -3.712  -1.046   3.848
  225    HB2  LEU  32           HB2      LEU  32  -5.371   0.707   5.659
  226    HB3  LEU  32           HB1      LEU  32  -3.723   0.982   5.132
  227   HD11  LEU  32          HD11      LEU  32  -6.467  -1.551   4.944
  228   HD12  LEU  32          HD12      LEU  32  -5.002  -2.427   5.380
  229   HD13  LEU  32          HD13      LEU  32  -5.632  -2.524   3.736
  230   HD21  LEU  32          HD21      LEU  32  -5.778  -0.661   2.401
  231   HD22  LEU  32          HD22      LEU  32  -4.611   0.656   2.548
  232   HD23  LEU  32          HD23      LEU  32  -6.115   0.700   3.473
  233    H    PHE  33           HN       PHE  33  -1.666   0.095   5.697
  234    HA   PHE  33           HA       PHE  33  -1.136  -2.295   4.330
  235    HD1  PHE  33           HD2      PHE  33  -1.933  -0.934   3.089
  236    HD2  PHE  33           HD1      PHE  33   1.469   1.606   3.612
  237    HE1  PHE  33           HE2      PHE  33  -2.865   0.658   1.469
  238    HE2  PHE  33           HE1      PHE  33   0.517   3.191   1.996
  239    HZ   PHE  33           HZ       PHE  33  -1.483   2.813   0.932
  240    HB2  PHE  33           HB2      PHE  33   0.874  -0.234   5.246
  241    HB3  PHE  33           HB1      PHE  33   1.096  -1.407   3.953
  242    H    SER  34           HN       SER  34  -0.306  -1.243   7.563
  243    HA   SER  34           HA       SER  34   1.494  -3.320   8.184
  244    HG   SER  34           HG       SER  34   2.002  -3.071  10.797
  245    HB2  SER  34           HB2      SER  34   1.407  -1.351   9.560
  246    HB3  SER  34           HB1      SER  34  -0.291  -1.632   9.945
  247    H    ARG  35           HN       ARG  35  -2.023  -3.022   8.541
  248    HA   ARG  35           HA       ARG  35  -2.464  -5.493   9.821
  249    HE   ARG  35           HE       ARG  35  -5.115  -1.278  11.038
  250    HB2  ARG  35           HB2      ARG  35  -4.281  -3.976   7.959
  251    HB3  ARG  35           HB1      ARG  35  -4.773  -5.309   8.992
  252    HG2  ARG  35           HG2      ARG  35  -4.318  -4.037  10.951
  253    HG3  ARG  35           HG1      ARG  35  -3.623  -2.734   9.991
  254    HD2  ARG  35           HD2      ARG  35  -5.899  -2.641   8.811
  255    HD3  ARG  35           HD1      ARG  35  -6.490  -3.619  10.151
  256   HH11  ARG  35          HH11      ARG  35  -8.193  -2.468   9.825
  257   HH12  ARG  35          HH12      ARG  35  -9.105  -1.160  10.533
  258   HH21  ARG  35          HH21      ARG  35  -6.315   0.441  11.941
  259   HH22  ARG  35          HH22      ARG  35  -8.039   0.472  11.752
  260    H    ALA  36           HN       ALA  36  -1.977  -4.541   6.523
  261    HA   ALA  36           HA       ALA  36  -3.081  -6.892   5.323
  262    HB1  ALA  36           HB1      ALA  36  -2.602  -5.876   3.258
  263    HB2  ALA  36           HB2      ALA  36  -1.299  -4.908   3.950
  264    HB3  ALA  36           HB3      ALA  36  -2.976  -4.537   4.347
  265    H    GLY  37           HN       GLY  37  -0.141  -6.316   6.850
  266    HA2  GLY  37           HA2      GLY  37   1.523  -7.941   7.180
  267    HA3  GLY  37           HA1      GLY  37   0.885  -8.840   5.812
  268    H    ILE  38           HN       ILE  38   1.115  -5.735   4.831
  269    HA   ILE  38           HA       ILE  38   3.396  -6.163   3.200
  270    HB   ILE  38           HB       ILE  38   2.073  -3.523   3.823
  271   HG12  ILE  38          HG12      ILE  38   1.296  -5.386   1.584
  272   HG13  ILE  38          HG11      ILE  38   0.484  -5.417   3.145
  273   HG21  ILE  38          HG21      ILE  38   2.808  -2.937   1.561
  274   HG22  ILE  38          HG22      ILE  38   3.561  -4.525   1.399
  275   HG23  ILE  38          HG23      ILE  38   4.169  -3.378   2.593
  276   HD11  ILE  38          HD11      ILE  38  -0.748  -4.107   1.508
  277   HD12  ILE  38          HD12      ILE  38   0.654  -3.054   1.293
  278   HD13  ILE  38          HD13      ILE  38  -0.183  -3.102   2.844
  279    H    SER  39           HN       SER  39   5.337  -6.299   4.094
  280    HA   SER  39           HA       SER  39   6.205  -5.048   6.446
  281    HG   SER  39           HG       SER  39   9.138  -6.307   6.334
  282    HB2  SER  39           HB2      SER  39   7.336  -6.993   5.537
  283    HB3  SER  39           HB1      SER  39   7.769  -6.090   4.094
  284    H    GLU  40           HN       GLU  40   7.690  -3.267   6.712
  285    HA   GLU  40           HA       GLU  40   7.092  -0.969   5.243
  286    HB2  GLU  40           HB2      GLU  40   8.150  -1.030   7.517
  287    HB3  GLU  40           HB1      GLU  40   9.664  -1.480   6.744
  288    HG2  GLU  40           HG2      GLU  40   9.618   0.617   5.475
  289    HG3  GLU  40           HG1      GLU  40   8.134   1.069   6.310
  290    H    ALA  41           HN       ALA  41   9.511  -3.450   4.762
  291    HA   ALA  41           HA       ALA  41  11.057  -2.110   2.790
  292    HB1  ALA  41           HB1      ALA  41  10.724  -5.071   3.259
  293    HB2  ALA  41           HB2      ALA  41  11.894  -4.026   4.067
  294    HB3  ALA  41           HB3      ALA  41  12.010  -4.302   2.329
  295    H    GLN  42           HN       GLN  42   7.990  -3.505   2.737
  296    HA   GLN  42           HA       GLN  42   8.061  -4.178  -0.101
  297    HB2  GLN  42           HB2      GLN  42   5.953  -4.506   2.022
  298    HB3  GLN  42           HB1      GLN  42   5.629  -4.804   0.323
  299    HG2  GLN  42           HG2      GLN  42   7.410  -6.498   0.309
  300    HG3  GLN  42           HG1      GLN  42   7.646  -6.227   2.037
  301   HE21  GLN  42          HE21      GLN  42   5.563  -7.541  -0.404
  302   HE22  GLN  42          HE22      GLN  42   4.529  -8.423   0.669
  303    H    LEU  43           HN       LEU  43   6.939  -1.724   2.057
  304    HA   LEU  43           HA       LEU  43   5.369  -0.357   0.086
  305    HG   LEU  43           HG       LEU  43   4.778  -1.141   3.019
  306    HB2  LEU  43           HB2      LEU  43   6.513   0.589   2.716
  307    HB3  LEU  43           HB1      LEU  43   5.404   1.512   1.716
  308   HD11  LEU  43          HD11      LEU  43   3.355   0.118   4.503
  309   HD12  LEU  43          HD12      LEU  43   3.770   1.623   3.684
  310   HD13  LEU  43          HD13      LEU  43   4.999   0.750   4.603
  311   HD21  LEU  43          HD21      LEU  43   3.590  -0.822   0.917
  312   HD22  LEU  43          HD22      LEU  43   3.040   0.765   1.459
  313   HD23  LEU  43          HD23      LEU  43   2.490  -0.691   2.289
  314    H    THR  44           HN       THR  44   8.627  -0.840   0.564
  315    HA   THR  44           HA       THR  44   9.286   1.528  -1.043
  316    HB   THR  44           HB       THR  44  11.674   0.985  -0.416
  317    HG1  THR  44           HG1      THR  44  10.966  -1.235   0.316
  318   HG21  THR  44          HG21      THR  44   9.769   1.637   1.842
  319   HG22  THR  44          HG22      THR  44  10.413   2.788   0.672
  320   HG23  THR  44          HG23      THR  44  11.496   1.994   1.816
  321    H    ASP  45           HN       ASP  45   8.463  -1.583  -1.402
  322    HA   ASP  45           HA       ASP  45  10.362  -2.446  -3.379
  323    HB2  ASP  45           HB2      ASP  45   9.067  -4.086  -2.064
  324    HB3  ASP  45           HB1      ASP  45   7.578  -3.467  -2.759
  325    H    ALA  46           HN       ALA  46   9.885  -2.710  -5.658
  326    HA   ALA  46           HA       ALA  46   8.705  -0.363  -6.746
  327    HB1  ALA  46           HB1      ALA  46   9.306  -1.265  -8.903
  328    HB2  ALA  46           HB2      ALA  46   9.583  -2.856  -8.191
  329    HB3  ALA  46           HB3      ALA  46  10.633  -1.502  -7.764
  330    H    GLU  47           HN       GLU  47   7.792  -3.824  -7.130
  331    HA   GLU  47           HA       GLU  47   5.407  -2.973  -8.510
  332    HB2  GLU  47           HB2      GLU  47   5.105  -5.139  -9.207
  333    HB3  GLU  47           HB1      GLU  47   6.843  -5.106  -8.982
  334    HG2  GLU  47           HG2      GLU  47   6.619  -6.252  -6.859
  335    HG3  GLU  47           HG1      GLU  47   4.865  -6.198  -6.996
  336    H    THR  48           HN       THR  48   6.199  -4.400  -5.366
  337    HA   THR  48           HA       THR  48   3.643  -4.973  -4.472
  338    HB   THR  48           HB       THR  48   5.840  -3.794  -2.754
  339    HG1  THR  48           HG1      THR  48   6.702  -5.549  -3.843
  340   HG21  THR  48          HG21      THR  48   3.422  -5.515  -2.191
  341   HG22  THR  48          HG22      THR  48   3.790  -3.919  -1.533
  342   HG23  THR  48          HG23      THR  48   4.751  -5.316  -1.049
  343    H    SER  49           HN       SER  49   5.405  -1.907  -4.113
  344    HA   SER  49           HA       SER  49   3.339  -0.493  -2.863
  345    HG   SER  49           HG       SER  49   6.742  -0.157  -3.128
  346    HB2  SER  49           HB2      SER  49   5.519   0.592  -4.657
  347    HB3  SER  49           HB1      SER  49   4.592   1.511  -3.469
  348    H    LYS  50           HN       LYS  50   4.122  -0.948  -6.286
  349    HA   LYS  50           HA       LYS  50   2.276   0.956  -7.262
  350    HB2  LYS  50           HB2      LYS  50   4.151   0.081  -8.611
  351    HB3  LYS  50           HB1      LYS  50   3.362  -1.491  -8.666
  352    HG2  LYS  50           HG2      LYS  50   1.533  -0.602  -9.933
  353    HG3  LYS  50           HG1      LYS  50   2.149   1.041  -9.748
  354    HD2  LYS  50           HD2      LYS  50   4.168   0.390 -11.017
  355    HD3  LYS  50           HD1      LYS  50   3.472  -1.213 -11.251
  356    HE2  LYS  50           HE2      LYS  50   1.610  -0.266 -12.469
  357    HE3  LYS  50           HE1      LYS  50   2.205   1.362 -12.159
  358    HZ1  LYS  50           HZ1      LYS  50   2.768   0.637 -14.382
  359    HZ2  LYS  50           HZ2      LYS  50   3.588  -0.715 -13.767
  360    HZ3  LYS  50           HZ3      LYS  50   4.178   0.845 -13.458
  361    H    LEU  51           HN       LEU  51   2.020  -2.538  -6.671
  362    HA   LEU  51           HA       LEU  51  -0.633  -2.719  -7.669
  363    HG   LEU  51           HG       LEU  51   0.150  -6.124  -7.882
  364    HB2  LEU  51           HB2      LEU  51   1.114  -4.527  -6.104
  365    HB3  LEU  51           HB1      LEU  51  -0.611  -4.849  -6.140
  366   HD11  LEU  51          HD11      LEU  51  -1.656  -4.789  -8.674
  367   HD12  LEU  51          HD12      LEU  51  -0.493  -5.009  -9.983
  368   HD13  LEU  51          HD13      LEU  51  -0.556  -3.480  -9.105
  369   HD21  LEU  51          HD21      LEU  51   2.463  -5.345  -7.830
  370   HD22  LEU  51          HD22      LEU  51   1.989  -3.907  -8.737
  371   HD23  LEU  51          HD23      LEU  51   1.858  -5.501  -9.481
  372    H    ILE  52           HN       ILE  52   0.700  -2.092  -4.434
  373    HA   ILE  52           HA       ILE  52  -1.762  -2.066  -3.077
  374    HB   ILE  52           HB       ILE  52   0.719  -0.426  -2.551
  375   HG12  ILE  52          HG12      ILE  52  -0.297  -2.938  -1.208
  376   HG13  ILE  52          HG11      ILE  52   0.964  -2.909  -2.438
  377   HG21  ILE  52          HG21      ILE  52  -1.267   0.599  -1.554
  378   HG22  ILE  52          HG22      ILE  52  -0.191  -0.057  -0.319
  379   HG23  ILE  52          HG23      ILE  52  -1.661  -0.928  -0.763
  380   HD11  ILE  52          HD11      ILE  52   1.615  -2.993   0.044
  381   HD12  ILE  52          HD12      ILE  52   1.236  -1.268   0.035
  382   HD13  ILE  52          HD13      ILE  52   2.485  -1.903  -1.037
  383    H    TYR  53           HN       TYR  53  -0.005   0.544  -4.755
  384    HA   TYR  53           HA       TYR  53  -1.912   2.550  -4.261
  385    HD1  TYR  53           HD2      TYR  53  -1.582   4.942  -4.486
  386    HD2  TYR  53           HD1      TYR  53  -0.451   3.615  -8.371
  387    HE1  TYR  53           HE2      TYR  53  -2.426   7.042  -5.447
  388    HE2  TYR  53           HE1      TYR  53  -1.296   5.709  -9.338
  389    HH   TYR  53           HH       TYR  53  -2.947   7.468  -8.758
  390    HB2  TYR  53           HB2      TYR  53   0.332   3.081  -5.063
  391    HB3  TYR  53           HB1      TYR  53   0.004   2.261  -6.587
  392    H    ASP  54           HN       ASP  54  -1.522   0.334  -7.003
  393    HA   ASP  54           HA       ASP  54  -3.787   1.069  -8.481
  394    HB2  ASP  54           HB2      ASP  54  -2.123  -0.410  -9.428
  395    HB3  ASP  54           HB1      ASP  54  -2.383  -1.599  -8.158
  396    H    PHE  55           HN       PHE  55  -3.415  -1.127  -5.742
  397    HA   PHE  55           HA       PHE  55  -6.005  -2.162  -5.599
  398    HD1  PHE  55           HD1      PHE  55  -6.519  -4.175  -3.490
  399    HD2  PHE  55           HD2      PHE  55  -4.951  -0.674  -1.631
  400    HE1  PHE  55           HE1      PHE  55  -8.002  -4.534  -1.568
  401    HE2  PHE  55           HE2      PHE  55  -6.442  -1.027   0.293
  402    HZ   PHE  55           HZ       PHE  55  -7.900  -3.016   0.373
  403    HB2  PHE  55           HB2      PHE  55  -4.376  -3.131  -4.200
  404    HB3  PHE  55           HB1      PHE  55  -3.889  -1.578  -3.539
  405    H    ILE  56           HN       ILE  56  -4.635   0.735  -4.093
  406    HA   ILE  56           HA       ILE  56  -7.008   1.641  -2.868
  407    HB   ILE  56           HB       ILE  56  -4.591   3.217  -3.782
  408   HG12  ILE  56          HG12      ILE  56  -5.278   2.042  -1.078
  409   HG13  ILE  56          HG11      ILE  56  -4.118   1.356  -2.209
  410   HG21  ILE  56          HG21      ILE  56  -6.741   3.944  -1.798
  411   HG22  ILE  56          HG22      ILE  56  -6.515   4.663  -3.392
  412   HG23  ILE  56          HG23      ILE  56  -5.293   4.890  -2.139
  413   HD11  ILE  56          HD11      ILE  56  -3.009   2.588  -0.451
  414   HD12  ILE  56          HD12      ILE  56  -3.914   4.040  -0.877
  415   HD13  ILE  56          HD13      ILE  56  -2.750   3.361  -2.014
  416    H    GLU  57           HN       GLU  57  -5.452   2.468  -5.940
  417    HA   GLU  57           HA       GLU  57  -7.325   4.271  -6.950
  418    HB2  GLU  57           HB2      GLU  57  -5.490   2.277  -8.280
  419    HB3  GLU  57           HB1      GLU  57  -6.474   3.387  -9.211
  420    HG2  GLU  57           HG2      GLU  57  -4.290   4.069  -7.266
  421    HG3  GLU  57           HG1      GLU  57  -4.288   4.303  -9.014
  422    H    ASP  58           HN       ASP  58  -7.235   0.757  -7.094
  423    HA   ASP  58           HA       ASP  58  -9.331   0.281  -8.868
  424    HB2  ASP  58           HB2      ASP  58  -7.686  -1.400  -8.103
  425    HB3  ASP  58           HB1      ASP  58  -8.438  -1.399  -6.516
  426    H    GLN  59           HN       GLN  59  -9.339   0.984  -5.445
  427    HA   GLN  59           HA       GLN  59 -12.075   0.245  -5.029
  428    HB2  GLN  59           HB2      GLN  59 -10.346   2.006  -3.284
  429    HB3  GLN  59           HB1      GLN  59 -11.802   1.145  -2.803
  430    HG2  GLN  59           HG2      GLN  59  -9.120  -0.009  -3.506
  431    HG3  GLN  59           HG1      GLN  59  -9.957  -0.066  -1.955
  432   HE21  GLN  59          HE21      GLN  59  -8.928  -2.210  -3.664
  433   HE22  GLN  59          HE22      GLN  59 -10.273  -3.244  -3.979
  434    H    GLY  60           HN       GLY  60 -10.517   2.969  -6.321
  435    HA2  GLY  60           HA2      GLY  60 -11.985   4.655  -7.357
  436    HA3  GLY  60           HA1      GLY  60 -12.923   4.626  -5.870
  437    H    GLY  61           HN       GLY  61  -9.913   4.288  -4.801
  438    HA2  GLY  61           HA2      GLY  61  -8.145   6.069  -4.933
  439    HA3  GLY  61           HA1      GLY  61  -9.455   7.192  -4.632
  440    H    LEU  62           HN       LEU  62  -8.127   7.852  -2.799
  441    HA   LEU  62           HA       LEU  62  -7.368   5.994  -0.777
  442    HG   LEU  62           HG       LEU  62  -5.077   7.057  -0.656
  443    HB2  LEU  62           HB2      LEU  62  -7.379   8.994  -0.940
  444    HB3  LEU  62           HB1      LEU  62  -6.932   8.161   0.534
  445   HD11  LEU  62          HD11      LEU  62  -6.053   7.067  -2.909
  446   HD12  LEU  62          HD12      LEU  62  -4.432   7.764  -2.884
  447   HD13  LEU  62          HD13      LEU  62  -5.845   8.817  -2.982
  448   HD21  LEU  62          HD21      LEU  62  -5.124  10.059  -0.893
  449   HD22  LEU  62          HD22      LEU  62  -3.680   9.048  -0.892
  450   HD23  LEU  62          HD23      LEU  62  -4.698   9.133   0.545
  451    H    GLU  63           HN       GLU  63  -9.912   8.372  -1.136
  452    HA   GLU  63           HA       GLU  63 -10.993   8.344   1.426
  453    HB2  GLU  63           HB2      GLU  63 -12.676   8.566  -1.065
  454    HB3  GLU  63           HB1      GLU  63 -12.921   9.352   0.484
  455    HG2  GLU  63           HG2      GLU  63 -12.168  11.066  -0.841
  456    HG3  GLU  63           HG1      GLU  63 -10.698  10.545  -0.022
  457    H    ALA  64           HN       ALA  64 -11.362   6.111  -1.222
  458    HA   ALA  64           HA       ALA  64 -13.672   4.781  -0.252
  459    HB1  ALA  64           HB1      ALA  64 -13.053   4.746  -2.604
  460    HB2  ALA  64           HB2      ALA  64 -13.182   3.109  -1.963
  461    HB3  ALA  64           HB3      ALA  64 -11.595   3.834  -2.220
  462    H    VAL  65           HN       VAL  65 -10.185   4.025  -0.061
  463    HA   VAL  65           HA       VAL  65 -10.609   1.496   1.161
  464    HB   VAL  65           HB       VAL  65  -8.282   1.313   1.469
  465   HG11  VAL  65          HG11      VAL  65  -7.334   1.976  -0.688
  466   HG12  VAL  65          HG12      VAL  65  -8.734   3.008  -0.978
  467   HG13  VAL  65          HG13      VAL  65  -8.937   1.260  -0.858
  468   HG21  VAL  65          HG21      VAL  65  -7.768   3.303   2.670
  469   HG22  VAL  65          HG22      VAL  65  -8.148   4.314   1.274
  470   HG23  VAL  65          HG23      VAL  65  -6.734   3.259   1.241
  471    H    ARG  66           HN       ARG  66 -10.326   4.738   2.405
  472    HA   ARG  66           HA       ARG  66  -9.839   3.998   5.114
  473    HE   ARG  66           HE       ARG  66  -7.749   8.541   2.571
  474    HB2  ARG  66           HB2      ARG  66 -11.102   6.531   4.045
  475    HB3  ARG  66           HB1      ARG  66 -10.427   6.309   5.653
  476    HG2  ARG  66           HG2      ARG  66  -8.211   5.931   4.640
  477    HG3  ARG  66           HG1      ARG  66  -8.912   6.250   3.053
  478    HD2  ARG  66           HD2      ARG  66  -9.657   8.489   4.006
  479    HD3  ARG  66           HD1      ARG  66  -8.585   8.146   5.365
  480   HH11  ARG  66          HH11      ARG  66  -6.961   8.413   5.998
  481   HH12  ARG  66          HH12      ARG  66  -5.345   9.012   5.754
  482   HH21  ARG  66          HH21      ARG  66  -5.629   9.379   2.305
  483   HH22  ARG  66          HH22      ARG  66  -4.607   9.579   3.700
  484    H    GLN  67           HN       GLN  67 -12.593   4.052   3.081
  485    HA   GLN  67           HA       GLN  67 -14.492   4.000   5.259
  486    HB2  GLN  67           HB2      GLN  67 -14.777   3.833   2.278
  487    HB3  GLN  67           HB1      GLN  67 -16.127   3.554   3.368
  488    HG2  GLN  67           HG2      GLN  67 -16.006   5.766   4.225
  489    HG3  GLN  67           HG1      GLN  67 -14.477   6.062   3.399
  490   HE21  GLN  67          HE21      GLN  67 -14.462   6.534   1.249
  491   HE22  GLN  67          HE22      GLN  67 -15.896   6.904   0.348
  492    H    GLU  68           HN       GLU  68 -12.900   1.696   3.135
  493    HA   GLU  68           HA       GLU  68 -14.443  -0.575   3.676
  494    HB2  GLU  68           HB2      GLU  68 -11.458  -0.380   3.266
  495    HB3  GLU  68           HB1      GLU  68 -12.401  -1.862   3.180
  496    HG2  GLU  68           HG2      GLU  68 -13.369   0.302   1.491
  497    HG3  GLU  68           HG1      GLU  68 -11.765  -0.301   1.086
  498    H    MET  69           HN       MET  69 -11.960   1.024   5.500
  499    HA   MET  69           HA       MET  69 -11.430  -0.802   7.514
  500    HB2  MET  69           HB2      MET  69 -11.526   2.195   7.514
  501    HB3  MET  69           HB1      MET  69 -11.146   1.297   8.979
  502    HG2  MET  69           HG2      MET  69  -9.339   0.150   7.668
  503    HG3  MET  69           HG1      MET  69  -9.642   1.320   6.386
  504    HE1  MET  69           HE1      MET  69  -7.002   0.606   8.006
  505    HE2  MET  69           HE2      MET  69  -6.238   2.166   8.327
  506    HE3  MET  69           HE3      MET  69  -6.888   1.813   6.720
  507    H    ARG  70           HN       ARG  70 -14.296   1.012   6.913
  508    HA   ARG  70           HA       ARG  70 -15.529  -0.057   9.354
  509    HE   ARG  70           HE       ARG  70 -17.711   4.414   8.992
  510    HB2  ARG  70           HB2      ARG  70 -16.893   2.013   9.416
  511    HB3  ARG  70           HB1      ARG  70 -15.173   2.343   9.575
  512    HG2  ARG  70           HG2      ARG  70 -15.263   2.694   7.010
  513    HG3  ARG  70           HG1      ARG  70 -16.993   2.901   7.282
  514    HD2  ARG  70           HD2      ARG  70 -14.898   4.430   8.803
  515    HD3  ARG  70           HD1      ARG  70 -15.585   5.001   7.285
  516   HH11  ARG  70          HH11      ARG  70 -14.985   6.594   8.880
  517   HH12  ARG  70          HH12      ARG  70 -15.803   7.887   9.708
  518   HH21  ARG  70          HH21      ARG  70 -18.816   6.099  10.054
  519   HH22  ARG  70          HH22      ARG  70 -18.013   7.613  10.351
  520    H    ARG  71           HN       ARG  71 -15.307  -0.909   6.445
  521    HA   ARG  71           HA       ARG  71 -18.165  -0.819   5.717
  522    HE   ARG  71           HE       ARG  71 -19.201  -1.040   0.833
  523    HB2  ARG  71           HB2      ARG  71 -16.644   0.293   4.115
  524    HB3  ARG  71           HB1      ARG  71 -15.813  -1.240   3.885
  525    HG2  ARG  71           HG2      ARG  71 -17.893  -2.236   3.068
  526    HG3  ARG  71           HG1      ARG  71 -18.701  -0.683   3.280
  527    HD2  ARG  71           HD2      ARG  71 -17.204   0.331   1.651
  528    HD3  ARG  71           HD1      ARG  71 -16.341  -1.198   1.473
  529   HH11  ARG  71          HH11      ARG  71 -15.890  -1.679  -0.149
  530   HH12  ARG  71          HH12      ARG  71 -16.359  -2.290  -1.717
  531   HH21  ARG  71          HH21      ARG  71 -19.796  -1.863  -1.188
  532   HH22  ARG  71          HH22      ARG  71 -18.576  -2.370  -2.314
  533    H    GLN  72           HN       GLN  72 -15.559  -2.890   4.538
  534    HA   GLN  72           HA       GLN  72 -17.313  -5.184   5.086
  535    HB2  GLN  72           HB2      GLN  72 -15.052  -4.849   3.117
  536    HB3  GLN  72           HB1      GLN  72 -15.881  -6.374   3.404
  537    HG2  GLN  72           HG2      GLN  72 -17.169  -3.835   2.418
  538    HG3  GLN  72           HG1      GLN  72 -16.727  -5.220   1.420
  539   HE21  GLN  72          HE21      GLN  72 -17.520  -7.159   3.449
  540   HE22  GLN  72          HE22      GLN  72 -19.249  -7.180   3.453
  541    H1   GLY  73           HT1      GLY  73 -15.374 -15.392   2.599
  542    H2   GLY  73           HT2      GLY  73 -14.716 -14.478   3.873
  543    H3   GLY  73           HT3      GLY  73 -13.767 -15.643   3.090
  544    HA2  GLY  73           HA1      GLY  73 -13.875 -14.376   1.027
  545    HA3  GLY  73           HA2      GLY  73 -14.820 -13.155   1.869
  546    H    HIS  74           HN       HIS  74 -13.770 -12.289   3.897
  547    HA   HIS  74           HA       HIS  74 -10.838 -12.165   3.591
  548    HD1  HIS  74           HD1      HIS  74 -13.851  -9.614   2.105
  549    HD2  HIS  74           HD2      HIS  74  -9.697  -9.698   1.867
  550    HE1  HIS  74           HE1      HIS  74 -13.294  -8.926  -0.242
  551    HE2  HIS  74           HE2      HIS  74 -10.801  -9.215  -0.429
  552    HB2  HIS  74           HB2      HIS  74 -12.725  -9.919   4.357
  553    HB3  HIS  74           HB1      HIS  74 -10.969  -9.815   4.417
  554    H    MET  75           HN       MET  75  -9.722 -12.690   5.357
  555    HA   MET  75           HA       MET  75 -11.075 -13.487   7.753
  556    HB2  MET  75           HB2      MET  75  -8.123 -13.253   7.137
  557    HB3  MET  75           HB1      MET  75  -8.787 -13.981   8.590
  558    HG2  MET  75           HG2      MET  75  -8.170 -15.731   7.119
  559    HG3  MET  75           HG1      MET  75  -9.930 -15.657   7.148
  560    HE1  MET  75           HE1      MET  75  -8.918 -16.811   3.480
  561    HE2  MET  75           HE2      MET  75  -9.687 -17.304   4.989
  562    HE3  MET  75           HE3      MET  75  -7.936 -17.105   4.916
  563    H    LEU  76           HN       LEU  76  -9.932 -10.581   6.602
  564    HA   LEU  76           HA       LEU  76  -9.700  -9.421   9.294
  565    HG   LEU  76           HG       LEU  76  -7.127 -10.276   7.742
  566    HB2  LEU  76           HB2      LEU  76  -8.453  -8.514   6.686
  567    HB3  LEU  76           HB1      LEU  76  -8.417  -7.585   8.170
  568   HD11  LEU  76          HD11      LEU  76  -5.039  -9.038   8.024
  569   HD12  LEU  76          HD12      LEU  76  -5.950  -7.532   8.142
  570   HD13  LEU  76          HD13      LEU  76  -5.958  -8.451   6.638
  571   HD21  LEU  76          HD21      LEU  76  -6.218 -10.009   9.984
  572   HD22  LEU  76          HD22      LEU  76  -7.981 -10.023  10.032
  573   HD23  LEU  76          HD23      LEU  76  -7.108  -8.499  10.182
  574    HA   PRO  77           HA       PRO  77 -13.296  -7.192   8.221
  575    HB2  PRO  77           HB2      PRO  77 -13.433  -5.546  10.298
  576    HB3  PRO  77           HB1      PRO  77 -13.434  -7.298  10.533
  577    HG2  PRO  77           HG2      PRO  77 -11.254  -5.331  10.983
  578    HG3  PRO  77           HG1      PRO  77 -11.615  -6.830  11.853
  579    HD2  PRO  77           HD2      PRO  77  -9.696  -6.458   9.785
  580    HD3  PRO  77           HD1      PRO  77 -10.188  -7.993  10.534
  581    H    ASP  78           HN       ASP  78 -10.841  -6.034   6.861
  582    HA   ASP  78           HA       ASP  78 -12.140  -3.665   6.005
  583    HB2  ASP  78           HB2      ASP  78 -10.479  -2.007   6.602
  584    HB3  ASP  78           HB1      ASP  78 -11.094  -2.778   8.057
  585    H    VAL  79           HN       VAL  79 -10.160  -2.318   4.818
  586    HA   VAL  79           HA       VAL  79  -9.701  -3.458   2.386
  587    HB   VAL  79           HB       VAL  79  -7.465  -1.903   2.757
  588   HG11  VAL  79          HG11      VAL  79  -8.604  -0.230   1.477
  589   HG12  VAL  79          HG12      VAL  79 -10.164  -0.974   1.847
  590   HG13  VAL  79          HG13      VAL  79  -8.990  -1.833   0.851
  591   HG21  VAL  79          HG21      VAL  79  -8.159   0.069   3.922
  592   HG22  VAL  79          HG22      VAL  79  -8.326  -1.313   5.003
  593   HG23  VAL  79          HG23      VAL  79  -9.750  -0.622   4.221
  594    H    ALA  80           HN       ALA  80  -7.809  -3.906   5.288
  595    HA   ALA  80           HA       ALA  80  -5.328  -4.459   4.216
  596    HB1  ALA  80           HB1      ALA  80  -5.661  -4.027   6.519
  597    HB2  ALA  80           HB2      ALA  80  -4.863  -5.595   6.341
  598    HB3  ALA  80           HB3      ALA  80  -6.587  -5.518   6.723
  599    H    GLN  81           HN       GLN  81  -7.911  -6.806   4.908
  600    HA   GLN  81           HA       GLN  81  -6.391  -9.070   4.110
  601    HB2  GLN  81           HB2      GLN  81  -8.966  -8.572   5.145
  602    HB3  GLN  81           HB1      GLN  81  -9.192  -9.453   3.639
  603    HG2  GLN  81           HG2      GLN  81  -7.364 -10.321   5.852
  604    HG3  GLN  81           HG1      GLN  81  -9.023 -10.877   5.655
  605   HE21  GLN  81          HE21      GLN  81  -6.508 -12.304   5.654
  606   HE22  GLN  81          HE22      GLN  81  -6.454 -13.178   4.148
  607    H    ARG  82           HN       ARG  82  -8.459  -6.809   2.494
  608    HA   ARG  82           HA       ARG  82  -8.723  -8.191   0.046
  609    HE   ARG  82           HE       ARG  82 -11.036  -5.514  -3.331
  610    HB2  ARG  82           HB2      ARG  82 -10.228  -6.380   0.855
  611    HB3  ARG  82           HB1      ARG  82  -8.928  -5.225   0.591
  612    HG2  ARG  82           HG2      ARG  82  -8.970  -5.609  -1.744
  613    HG3  ARG  82           HG1      ARG  82 -10.102  -6.950  -1.568
  614    HD2  ARG  82           HD2      ARG  82 -11.733  -5.319  -0.592
  615    HD3  ARG  82           HD1      ARG  82 -10.616  -4.028  -1.038
  616   HH11  ARG  82          HH11      ARG  82 -12.974  -3.591  -1.112
  617   HH12  ARG  82          HH12      ARG  82 -14.133  -3.152  -2.330
  618   HH21  ARG  82          HH21      ARG  82 -12.557  -4.903  -4.932
  619   HH22  ARG  82          HH22      ARG  82 -13.885  -3.866  -4.498
  620    H    LEU  83           HN       LEU  83  -6.283  -6.161   1.430
  621    HA   LEU  83           HA       LEU  83  -4.854  -5.593  -0.967
  622    HG   LEU  83           HG       LEU  83  -4.725  -3.338   0.267
  623    HB2  LEU  83           HB2      LEU  83  -4.460  -5.179   1.882
  624    HB3  LEU  83           HB1      LEU  83  -2.968  -5.637   1.080
  625   HD11  LEU  83          HD11      LEU  83  -2.019  -3.204   1.546
  626   HD12  LEU  83          HD12      LEU  83  -3.533  -3.043   2.440
  627   HD13  LEU  83          HD13      LEU  83  -3.120  -1.871   1.186
  628   HD21  LEU  83          HD21      LEU  83  -2.869  -2.733  -1.203
  629   HD22  LEU  83          HD22      LEU  83  -3.530  -4.318  -1.609
  630   HD23  LEU  83          HD23      LEU  83  -2.015  -4.196  -0.715
  631    H    MET  84           HN       MET  84  -4.492  -8.071   1.541
  632    HA   MET  84           HA       MET  84  -2.249  -9.386   0.603
  633    HB2  MET  84           HB2      MET  84  -4.701 -10.646   1.846
  634    HB3  MET  84           HB1      MET  84  -3.115 -11.392   1.734
  635    HG2  MET  84           HG2      MET  84  -2.203  -9.609   3.159
  636    HG3  MET  84           HG1      MET  84  -3.825  -8.933   3.311
  637    HE1  MET  84           HE1      MET  84  -2.054  -9.682   5.861
  638    HE2  MET  84           HE2      MET  84  -3.278 -10.455   6.866
  639    HE3  MET  84           HE3      MET  84  -3.684  -9.011   5.937
  640    H    GLN  85           HN       GLN  85  -5.622  -9.807  -0.323
  641    HA   GLN  85           HA       GLN  85  -5.251 -11.952  -2.107
  642    HB2  GLN  85           HB2      GLN  85  -7.379  -9.802  -2.213
  643    HB3  GLN  85           HB1      GLN  85  -7.462 -11.384  -2.971
  644    HG2  GLN  85           HG2      GLN  85  -7.308 -10.932   0.000
  645    HG3  GLN  85           HG1      GLN  85  -8.804 -11.163  -0.897
  646   HE21  GLN  85          HE21      GLN  85  -9.372 -13.025   0.164
  647   HE22  GLN  85          HE22      GLN  85  -8.534 -14.523  -0.036
  648    H    HIS  86           HN       HIS  86  -4.934  -8.474  -2.493
  649    HA   HIS  86           HA       HIS  86  -5.055  -8.566  -5.356
  650    HD1  HIS  86           HD1      HIS  86  -6.164  -7.142  -6.769
  651    HD2  HIS  86           HD2      HIS  86  -3.519  -4.204  -5.455
  652    HE1  HIS  86           HE1      HIS  86  -5.937  -5.522  -8.683
  653    HE2  HIS  86           HE2      HIS  86  -4.447  -3.681  -7.828
  654    HB2  HIS  86           HB2      HIS  86  -5.762  -6.606  -3.891
  655    HB3  HIS  86           HB1      HIS  86  -4.047  -6.243  -3.727
  656    H    LEU  87           HN       LEU  87  -2.421  -8.261  -2.965
  657    HA   LEU  87           HA       LEU  87  -0.402  -7.928  -4.952
  658    HG   LEU  87           HG       LEU  87   1.372  -6.727  -2.147
  659    HB2  LEU  87           HB2      LEU  87  -0.200  -8.898  -2.101
  660    HB3  LEU  87           HB1      LEU  87   1.191  -8.722  -3.152
  661   HD11  LEU  87          HD11      LEU  87   0.834  -6.113  -4.436
  662   HD12  LEU  87          HD12      LEU  87   0.266  -4.895  -3.292
  663   HD13  LEU  87          HD13      LEU  87  -0.879  -6.026  -4.015
  664   HD21  LEU  87          HD21      LEU  87  -0.461  -5.514  -1.058
  665   HD22  LEU  87          HD22      LEU  87  -0.293  -7.171  -0.476
  666   HD23  LEU  87          HD23      LEU  87  -1.586  -6.760  -1.604
  667    H    ALA  88           HN       ALA  88  -2.014 -10.659  -3.549
  668    HA   ALA  88           HA       ALA  88  -0.197 -12.664  -4.404
  669    HB1  ALA  88           HB1      ALA  88  -2.054 -14.225  -3.952
  670    HB2  ALA  88           HB2      ALA  88  -3.130 -12.845  -3.720
  671    HB3  ALA  88           HB3      ALA  88  -1.772 -13.101  -2.624
  672    H    GLU  89           HN       GLU  89  -2.651 -10.859  -6.008
  673    HA   GLU  89           HA       GLU  89  -3.229 -12.675  -8.112
  674    HB2  GLU  89           HB2      GLU  89  -3.502  -9.674  -7.978
  675    HB3  GLU  89           HB1      GLU  89  -4.119 -10.679  -9.277
  676    HG2  GLU  89           HG2      GLU  89  -5.626 -11.788  -7.760
  677    HG3  GLU  89           HG1      GLU  89  -4.965 -10.879  -6.400
  678    H    HIS  90           HN       HIS  90  -0.423 -10.864  -7.466
  679    HA   HIS  90           HA       HIS  90   0.208 -10.792 -10.336
  680    HD1  HIS  90           HD1      HIS  90  -0.156  -8.158 -11.870
  681    HD2  HIS  90           HD2      HIS  90  -1.897  -7.948  -8.095
  682    HE1  HIS  90           HE1      HIS  90  -2.436  -7.147 -12.222
  683    HE2  HIS  90           HE2      HIS  90  -3.554  -7.266  -9.971
  684    HB2  HIS  90           HB2      HIS  90   0.803  -8.660  -8.286
  685    HB3  HIS  90           HB1      HIS  90   1.464  -8.673  -9.921
  686    H    GLY  91           HN       GLY  91   1.628 -10.995  -7.075
  687    HA2  GLY  91           HA2      GLY  91   3.261 -12.855  -6.869
  688    HA3  GLY  91           HA1      GLY  91   3.962 -12.276  -8.372
  689    H    ILE  92           HN       ILE  92   2.866 -10.160  -5.852
  690    HA   ILE  92           HA       ILE  92   5.095  -8.582  -5.629
  691    HB   ILE  92           HB       ILE  92   2.733  -9.179  -3.943
  692   HG12  ILE  92          HG12      ILE  92   2.515  -6.672  -4.179
  693   HG13  ILE  92          HG11      ILE  92   3.948  -6.732  -5.196
  694   HG21  ILE  92          HG21      ILE  92   3.441  -7.605  -2.190
  695   HG22  ILE  92          HG22      ILE  92   5.060  -7.590  -2.888
  696   HG23  ILE  92          HG23      ILE  92   4.403  -9.082  -2.216
  697   HD11  ILE  92          HD11      ILE  92   2.803  -8.127  -6.794
  698   HD12  ILE  92          HD12      ILE  92   1.881  -6.655  -6.494
  699   HD13  ILE  92          HD13      ILE  92   1.376  -8.177  -5.760
  700    H    GLN  93           HN       GLN  93   6.891  -8.494  -4.305
  701    HA   GLN  93           HA       GLN  93   7.824 -11.061  -3.315
  702    HB2  GLN  93           HB2      GLN  93   9.185  -8.378  -3.579
  703    HB3  GLN  93           HB1      GLN  93   9.952  -9.773  -2.837
  704    HG2  GLN  93           HG2      GLN  93  10.760  -9.900  -4.970
  705    HG3  GLN  93           HG1      GLN  93   9.354 -10.954  -5.075
  706   HE21  GLN  93          HE21      GLN  93   7.549 -10.268  -6.245
  707   HE22  GLN  93          HE22      GLN  93   7.622  -8.943  -7.360
  708    HA   PRO  94           HA       PRO  94   6.319 -10.108   0.777
  709    HB2  PRO  94           HB2      PRO  94   7.700 -12.598   1.445
  710    HB3  PRO  94           HB1      PRO  94   5.982 -12.202   1.592
  711    HG2  PRO  94           HG2      PRO  94   6.870 -13.932  -0.254
  712    HG3  PRO  94           HG1      PRO  94   5.525 -12.827  -0.591
  713    HD2  PRO  94           HD2      PRO  94   8.398 -12.619  -1.416
  714    HD3  PRO  94           HD1      PRO  94   6.927 -12.263  -2.346
  715    H    ALA  95           HN       ALA  95   7.537  -8.522   1.640
  716    HA   ALA  95           HA       ALA  95   8.988  -7.524   3.045
  717    HB1  ALA  95           HB1      ALA  95   9.080  -8.514   5.055
  718    HB2  ALA  95           HB2      ALA  95   9.664 -10.048   4.408
  719    HB3  ALA  95           HB3      ALA  95   7.954  -9.632   4.285
  720    H    ARG  96           HN       ARG  96  10.218  -9.124   0.644
  721    HA   ARG  96           HA       ARG  96  12.855  -9.715   1.150
  722    HE   ARG  96           HE       ARG  96  13.318 -11.490  -1.188
  723    HB2  ARG  96           HB2      ARG  96  11.884  -9.986  -1.042
  724    HB3  ARG  96           HB1      ARG  96  11.714  -8.245  -1.219
  725    HG2  ARG  96           HG2      ARG  96  13.623  -9.183  -2.468
  726    HG3  ARG  96           HG1      ARG  96  14.086  -7.961  -1.290
  727    HD2  ARG  96           HD2      ARG  96  15.628  -9.877  -1.308
  728    HD3  ARG  96           HD1      ARG  96  14.840  -9.654   0.250
  729   HH11  ARG  96          HH11      ARG  96  16.570 -11.254   0.097
  730   HH12  ARG  96          HH12      ARG  96  16.698 -12.956   0.440
  731   HH21  ARG  96          HH21      ARG  96  13.496 -13.724  -0.786
  732   HH22  ARG  96          HH22      ARG  96  14.944 -14.361  -0.076
  733    H    ASN  97           HN       ASN  97  14.465  -8.688   2.040
  734    HA   ASN  97           HA       ASN  97  14.231  -5.869   2.640
  735    HB2  ASN  97           HB2      ASN  97  16.225  -6.278   4.078
  736    HB3  ASN  97           HB1      ASN  97  14.861  -7.319   4.454
  737   HD21  ASN  97          HD21      ASN  97  17.628  -7.723   5.100
  738   HD22  ASN  97          HD22      ASN  97  18.111  -9.202   4.354
  739    H    MET  98           HN       MET  98  14.487  -5.258   0.362
  740    HA   MET  98           HA       MET  98  17.031  -5.588  -0.920
  741    HB2  MET  98           HB2      MET  98  14.774  -3.672  -1.535
  742    HB3  MET  98           HB1      MET  98  16.168  -3.955  -2.565
  743    HG2  MET  98           HG2      MET  98  15.479  -6.305  -2.804
  744    HG3  MET  98           HG1      MET  98  14.050  -5.960  -1.833
  745    HE1  MET  98           HE1      MET  98  12.489  -6.357  -5.379
  746    HE2  MET  98           HE2      MET  98  12.421  -6.853  -3.688
  747    HE3  MET  98           HE3      MET  98  13.813  -7.288  -4.679
  748    H    ALA  99           HN       ALA  99  18.694  -4.171  -1.123
  749    HA   ALA  99           HA       ALA  99  20.148  -2.515  -0.626
  750    HB1  ALA  99           HB1      ALA  99  18.491  -1.148  -1.791
  751    HB2  ALA  99           HB2      ALA  99  19.294  -0.243  -0.509
  752    HB3  ALA  99           HB3      ALA  99  17.657  -0.854  -0.264
  753    H    GLU 100           HN       GLU 100  19.185  -4.227   1.507
  754    HA   GLU 100           HA       GLU 100  18.997  -4.459   3.757
  755    HB2  GLU 100           HB2      GLU 100  21.433  -3.979   3.438
  756    HB3  GLU 100           HB1      GLU 100  21.104  -2.294   3.818
  757    HG2  GLU 100           HG2      GLU 100  20.281  -2.965   6.028
  758    HG3  GLU 100           HG1      GLU 100  20.656  -4.645   5.647
  759    H    HIS 101           HN       HIS 101  16.839  -3.348   3.330
  760    HA   HIS 101           HA       HIS 101  16.495  -0.720   4.430
  761    HD1  HIS 101           HD1      HIS 101  12.365  -1.199   2.528
  762    HD2  HIS 101           HD2      HIS 101  14.306   0.065   5.974
  763    HE1  HIS 101           HE1      HIS 101  10.701   0.228   3.734
  764    HE2  HIS 101           HE2      HIS 101  11.855   0.893   5.888
  765    HB2  HIS 101           HB2      HIS 101  15.036  -1.658   2.658
  766    HB3  HIS 101           HB1      HIS 101  14.448  -2.858   3.797
  767    H    ILE 102           HN       ILE 102  17.852  -1.739   6.321
  768    HA   ILE 102           HA       ILE 102  15.949  -2.162   8.514
  769    HB   ILE 102           HB       ILE 102  18.536  -3.717   8.195
  770   HG12  ILE 102          HG12      ILE 102  16.760  -5.652   8.559
  771   HG13  ILE 102          HG11      ILE 102  15.661  -4.465   7.866
  772   HG21  ILE 102          HG21      ILE 102  16.562  -3.674  10.468
  773   HG22  ILE 102          HG22      ILE 102  18.225  -3.086  10.497
  774   HG23  ILE 102          HG23      ILE 102  17.899  -4.810  10.310
  775   HD11  ILE 102          HD11      ILE 102  16.511  -5.964   6.165
  776   HD12  ILE 102          HD12      ILE 102  18.167  -5.522   6.581
  777   HD13  ILE 102          HD13      ILE 102  17.082  -4.319   5.883
  778    HA   PRO 103           HA       PRO 103  18.288   1.378   9.939
  779    HB2  PRO 103           HB2      PRO 103  17.090   0.627  12.547
  780    HB3  PRO 103           HB1      PRO 103  17.033   2.166  11.682
  781    HG2  PRO 103           HG2      PRO 103  14.887   0.584  11.793
  782    HG3  PRO 103           HG1      PRO 103  15.282   1.490  10.320
  783    HD2  PRO 103           HD2      PRO 103  15.699  -1.410  10.931
  784    HD3  PRO 103           HD1      PRO 103  15.176  -0.638   9.419
  785    HA   PRO 104           HA       PRO 104  21.706  -1.090  11.542
  786    HB2  PRO 104           HB2      PRO 104  23.240   1.378  11.171
  787    HB3  PRO 104           HB1      PRO 104  23.443  -0.190  10.386
  788    HG2  PRO 104           HG2      PRO 104  22.527   1.969   9.057
  789    HG3  PRO 104           HG1      PRO 104  21.978   0.324   8.682
  790    HD2  PRO 104           HD2      PRO 104  20.620   2.452  10.299
  791    HD3  PRO 104           HD1      PRO 104  19.932   1.346   9.088
  792    H    ALA 105           HN       ALA 105  22.247  -1.344  13.605
  793    HA   ALA 105           HA       ALA 105  22.216   0.994  15.394
  794    HB1  ALA 105           HB1      ALA 105  21.049  -1.729  15.978
  795    HB2  ALA 105           HB2      ALA 105  20.131  -0.253  15.674
  796    HB3  ALA 105           HB3      ALA 105  21.144  -0.383  17.114
  797    HA   PRO 106           HA       PRO 106  26.114  -0.616  16.795
  798    HB2  PRO 106           HB2      PRO 106  25.662   0.581  19.414
  799    HB3  PRO 106           HB1      PRO 106  26.797   1.067  18.152
  800    HG2  PRO 106           HG2      PRO 106  24.629   2.549  18.829
  801    HG3  PRO 106           HG1      PRO 106  25.305   2.524  17.188
  802    HD2  PRO 106           HD2      PRO 106  22.922   1.073  18.282
  803    HD3  PRO 106           HD1      PRO 106  23.119   1.898  16.720
  804    H    ASN 107           HN       ASN 107  23.445  -2.049  17.477
  805    HA   ASN 107           HA       ASN 107  24.513  -3.681  19.686
  806    HB2  ASN 107           HB2      ASN 107  21.603  -3.206  18.975
  807    HB3  ASN 107           HB1      ASN 107  22.182  -4.256  20.260
  808   HD21  ASN 107          HD21      ASN 107  24.317  -2.362  21.007
  809   HD22  ASN 107          HD22      ASN 107  23.517  -1.090  21.863
  810    H    TRP 108           HN       TRP 108  24.552  -5.887  19.366
  811    HA   TRP 108           HA       TRP 108  23.798  -6.774  16.657
  812    HD1  TRP 108           HD1      TRP 108  26.154  -6.363  14.795
  813    HE1  TRP 108           HE1      TRP 108  27.904  -4.468  14.757
  814    HE3  TRP 108           HE3      TRP 108  27.341  -6.257  19.769
  815    HZ2  TRP 108           HZ2      TRP 108  29.561  -3.119  16.596
  816    HZ3  TRP 108           HZ3      TRP 108  29.018  -4.633  20.544
  817    HH2  TRP 108           HH2      TRP 108  30.104  -3.098  18.991
  818    HB2  TRP 108           HB2      TRP 108  26.065  -7.851  18.355
  819    HB3  TRP 108           HB1      TRP 108  25.690  -8.298  16.692
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -23.620  17.643   1.776
    2    H2   GLY   1           HT2      GLY   1 -22.970  16.108   2.096
    3    H3   GLY   1           HT3      GLY   1 -24.155  16.290   0.901
    4    HA2  GLY   1           HA1      GLY   1 -22.639  17.675  -0.402
    5    HA3  GLY   1           HA2      GLY   1 -21.401  17.387   0.814
    6    H    HIS   2           HN       HIS   2 -21.431  16.710  -2.038
    7    HA   HIS   2           HA       HIS   2 -21.777  13.863  -2.235
    8    HD1  HIS   2           HD1      HIS   2 -18.969  14.572  -5.651
    9    HD2  HIS   2           HD2      HIS   2 -22.385  12.407  -4.675
   10    HE1  HIS   2           HE1      HIS   2 -18.856  12.468  -7.027
   11    HE2  HIS   2           HE2      HIS   2 -21.022  11.268  -6.560
   12    HB2  HIS   2           HB2      HIS   2 -22.125  15.353  -4.167
   13    HB3  HIS   2           HB1      HIS   2 -20.430  15.818  -4.114
   14    H    MET   3           HN       MET   3 -19.052  16.098  -1.977
   15    HA   MET   3           HA       MET   3 -16.937  15.845  -1.218
   16    HB2  MET   3           HB2      MET   3 -18.008  14.733   0.706
   17    HB3  MET   3           HB1      MET   3 -17.900  13.192  -0.135
   18    HG2  MET   3           HG2      MET   3 -15.456  13.370  -0.132
   19    HG3  MET   3           HG1      MET   3 -15.575  14.897   0.737
   20    HE1  MET   3           HE1      MET   3 -17.112  13.749   4.161
   21    HE2  MET   3           HE2      MET   3 -17.999  14.292   2.737
   22    HE3  MET   3           HE3      MET   3 -16.514  15.115   3.216
   23    H    SER   4           HN       SER   4 -15.950  15.795  -3.180
   24    HA   SER   4           HA       SER   4 -14.583  13.323  -3.774
   25    HG   SER   4           HG       SER   4 -16.769  12.656  -4.221
   26    HB2  SER   4           HB2      SER   4 -16.307  14.675  -5.869
   27    HB3  SER   4           HB1      SER   4 -15.113  13.424  -6.215
   28    H    GLY   5           HN       GLY   5 -12.801  14.487  -3.047
   29    HA2  GLY   5           HA2      GLY   5 -12.052  16.861  -4.632
   30    HA3  GLY   5           HA1      GLY   5 -11.467  16.502  -3.013
   31    H    PHE   6           HN       PHE   6  -9.547  17.132  -4.631
   32    HA   PHE   6           HA       PHE   6  -8.573  14.892  -6.170
   33    HD1  PHE   6           HD1      PHE   6  -7.835  15.327  -8.458
   34    HD2  PHE   6           HD2      PHE   6  -4.856  17.120  -6.004
   35    HE1  PHE   6           HE1      PHE   6  -6.090  14.531 -10.000
   36    HE2  PHE   6           HE2      PHE   6  -3.106  16.327  -7.540
   37    HZ   PHE   6           HZ       PHE   6  -3.732  15.028  -9.550
   38    HB2  PHE   6           HB2      PHE   6  -8.241  17.343  -6.758
   39    HB3  PHE   6           HB1      PHE   6  -7.061  17.408  -5.454
   40    H    LYS   7           HN       LYS   7  -8.941  13.915  -3.744
   41    HA   LYS   7           HA       LYS   7  -6.354  13.818  -2.379
   42    HB2  LYS   7           HB2      LYS   7  -8.943  12.381  -1.741
   43    HB3  LYS   7           HB1      LYS   7  -7.509  12.425  -0.726
   44    HG2  LYS   7           HG2      LYS   7  -7.790  14.821  -0.404
   45    HG3  LYS   7           HG1      LYS   7  -9.208  14.806  -1.455
   46    HD2  LYS   7           HD2      LYS   7 -10.280  13.200   0.116
   47    HD3  LYS   7           HD1      LYS   7  -8.894  13.387   1.190
   48    HE2  LYS   7           HE2      LYS   7 -10.734  15.612   0.309
   49    HE3  LYS   7           HE1      LYS   7 -10.815  14.782   1.860
   50    HZ1  LYS   7           HZ1      LYS   7  -8.583  16.473   0.861
   51    HZ2  LYS   7           HZ2      LYS   7  -8.518  15.560   2.288
   52    HZ3  LYS   7           HZ3      LYS   7  -9.639  16.822   2.142
   53    H    HIS   8           HN       HIS   8  -8.688  11.710  -3.981
   54    HA   HIS   8           HA       HIS   8  -6.830   9.535  -4.233
   55    HD1  HIS   8           HD1      HIS   8 -11.026  10.517  -3.728
   56    HD2  HIS   8           HD2      HIS   8  -9.735  10.415  -7.690
   57    HE1  HIS   8           HE1      HIS   8 -12.742  11.802  -5.042
   58    HE2  HIS   8           HE2      HIS   8 -11.844  11.898  -7.389
   59    HB2  HIS   8           HB2      HIS   8  -8.623   8.584  -5.755
   60    HB3  HIS   8           HB1      HIS   8  -9.118   8.900  -4.099
   61    H    VAL   9           HN       VAL   9  -5.603   8.985  -5.975
   62    HA   VAL   9           HA       VAL   9  -4.522   9.107  -7.960
   63    HB   VAL   9           HB       VAL   9  -6.731  10.943  -8.893
   64   HG11  VAL   9          HG11      VAL   9  -6.141  10.135 -11.142
   65   HG12  VAL   9          HG12      VAL   9  -4.824   9.191 -10.446
   66   HG13  VAL   9          HG13      VAL   9  -4.785  10.952 -10.364
   67   HG21  VAL   9          HG21      VAL   9  -7.719   8.892  -8.072
   68   HG22  VAL   9          HG22      VAL   9  -6.590   7.937  -9.033
   69   HG23  VAL   9          HG23      VAL   9  -7.801   8.938  -9.833
   70    H    SER  10           HN       SER  10  -4.170  10.889  -5.727
   71    HA   SER  10           HA       SER  10  -3.049  13.278  -7.011
   72    HG   SER  10           HG       SER  10  -3.596  15.277  -4.757
   73    HB2  SER  10           HB2      SER  10  -4.601  13.467  -4.991
   74    HB3  SER  10           HB1      SER  10  -3.318  12.713  -4.046
   75    H    HIS  11           HN       HIS  11  -2.019  10.504  -7.104
   76    HA   HIS  11           HA       HIS  11  -0.066   9.375  -7.056
   77    HD1  HIS  11           HD1      HIS  11   0.651  13.405  -8.232
   78    HD2  HIS  11           HD2      HIS  11   2.069   9.588  -9.088
   79    HE1  HIS  11           HE1      HIS  11   1.117  13.388 -10.706
   80    HE2  HIS  11           HE2      HIS  11   2.172  11.139 -11.154
   81    HB2  HIS  11           HB2      HIS  11   1.034  12.040  -6.175
   82    HB3  HIS  11           HB1      HIS  11   2.047  10.612  -6.349
   83    H    VAL  12           HN       VAL  12  -1.476  10.713  -4.321
   84    HA   VAL  12           HA       VAL  12  -1.527  10.224  -2.102
   85    HB   VAL  12           HB       VAL  12  -0.014   7.716  -2.785
   86   HG11  VAL  12          HG11      VAL  12  -0.130   8.185  -0.405
   87   HG12  VAL  12          HG12      VAL  12  -1.130   6.792  -0.817
   88   HG13  VAL  12          HG13      VAL  12  -1.882   8.358  -0.513
   89   HG21  VAL  12          HG21      VAL  12  -1.910   7.851  -4.238
   90   HG22  VAL  12          HG22      VAL  12  -2.969   8.253  -2.885
   91   HG23  VAL  12          HG23      VAL  12  -2.230   6.653  -2.984
   92    H    GLY  13           HN       GLY  13   1.538   8.847  -3.086
   93    HA2  GLY  13           HA2      GLY  13   3.383  10.638  -2.185
   94    HA3  GLY  13           HA1      GLY  13   2.944   9.707  -0.750
   95    H    TRP  14           HN       TRP  14   3.000   8.620  -4.079
   96    HA   TRP  14           HA       TRP  14   4.797   6.451  -3.254
   97    HD1  TRP  14           HD1      TRP  14   4.373   3.423  -3.991
   98    HE1  TRP  14           HE1      TRP  14   4.864   2.031  -6.099
   99    HE3  TRP  14           HE3      TRP  14   2.619   6.666  -7.530
  100    HZ2  TRP  14           HZ2      TRP  14   4.535   2.275  -8.893
  101    HZ3  TRP  14           HZ3      TRP  14   2.737   6.010  -9.898
  102    HH2  TRP  14           HH2      TRP  14   3.679   3.860 -10.564
  103    HB2  TRP  14           HB2      TRP  14   2.660   5.545  -3.668
  104    HB3  TRP  14           HB1      TRP  14   2.409   6.559  -5.080
  105    H    ASP  15           HN       ASP  15   6.466   5.860  -4.535
  106    HA   ASP  15           HA       ASP  15   6.997   7.492  -6.929
  107    HB2  ASP  15           HB2      ASP  15   8.678   7.906  -5.243
  108    HB3  ASP  15           HB1      ASP  15   8.909   6.182  -4.973
  109    HA   PRO  16           HA       PRO  16   6.156   3.901  -9.276
  110    HB2  PRO  16           HB2      PRO  16   7.670   4.491 -11.500
  111    HB3  PRO  16           HB1      PRO  16   6.070   5.155 -11.159
  112    HG2  PRO  16           HG2      PRO  16   8.764   6.362 -10.690
  113    HG3  PRO  16           HG1      PRO  16   7.285   7.126 -11.303
  114    HD2  PRO  16           HD2      PRO  16   8.084   7.456  -8.765
  115    HD3  PRO  16           HD1      PRO  16   6.361   7.317  -9.185
  116    H    GLN  17           HN       GLN  17   9.479   4.670  -8.520
  117    HA   GLN  17           HA       GLN  17  10.324   2.006  -9.444
  118    HB2  GLN  17           HB2      GLN  17  11.634   3.832 -10.341
  119    HB3  GLN  17           HB1      GLN  17  11.961   4.439  -8.724
  120    HG2  GLN  17           HG2      GLN  17  13.906   3.313  -9.402
  121    HG3  GLN  17           HG1      GLN  17  13.097   2.239  -8.264
  122   HE21  GLN  17          HE21      GLN  17  15.052   1.616 -10.298
  123   HE22  GLN  17          HE22      GLN  17  14.311   0.463 -11.361
  124    H    ASN  18           HN       ASN  18  10.365   4.159  -6.647
  125    HA   ASN  18           HA       ASN  18  11.582   2.099  -4.996
  126    HB2  ASN  18           HB2      ASN  18  10.646   4.898  -4.349
  127    HB3  ASN  18           HB1      ASN  18  11.395   3.812  -3.185
  128   HD21  ASN  18          HD21      ASN  18  11.885   5.690  -6.085
  129   HD22  ASN  18          HD22      ASN  18  13.618   5.734  -5.991
  130    H    GLY  19           HN       GLY  19   8.882   4.192  -4.094
  131    HA2  GLY  19           HA2      GLY  19   6.780   2.476  -4.087
  132    HA3  GLY  19           HA1      GLY  19   7.674   2.031  -2.643
  133    H    PHE  20           HN       PHE  20   6.129   2.699  -1.185
  134    HA   PHE  20           HA       PHE  20   4.987   5.338  -1.361
  135    HD1  PHE  20           HD2      PHE  20   2.165   5.443  -0.345
  136    HD2  PHE  20           HD1      PHE  20   3.907   1.608  -0.938
  137    HE1  PHE  20           HE2      PHE  20   0.156   4.736  -1.578
  138    HE2  PHE  20           HE1      PHE  20   1.899   0.887  -2.176
  139    HZ   PHE  20           HZ       PHE  20   0.023   2.455  -2.497
  140    HB2  PHE  20           HB2      PHE  20   4.798   3.136   0.683
  141    HB3  PHE  20           HB1      PHE  20   4.072   4.718   0.947
  142    H    ASP  21           HN       ASP  21   5.422   7.088  -0.146
  143    HA   ASP  21           HA       ASP  21   7.999   7.332   1.060
  144    HB2  ASP  21           HB2      ASP  21   6.696   9.173  -0.117
  145    HB3  ASP  21           HB1      ASP  21   5.668   9.244   1.309
  146    H    VAL  22           HN       VAL  22   8.116   5.890   2.753
  147    HA   VAL  22           HA       VAL  22   6.045   5.457   4.615
  148    HB   VAL  22           HB       VAL  22   7.780   4.287   5.974
  149   HG11  VAL  22          HG11      VAL  22   8.058   2.460   4.378
  150   HG12  VAL  22          HG12      VAL  22   7.616   3.542   3.057
  151   HG13  VAL  22          HG13      VAL  22   6.430   3.134   4.298
  152   HG21  VAL  22          HG21      VAL  22   9.589   4.973   3.656
  153   HG22  VAL  22          HG22      VAL  22   9.985   3.927   5.019
  154   HG23  VAL  22          HG23      VAL  22   9.717   5.650   5.282
  155    H    ASN  23           HN       ASN  23   8.412   7.946   4.443
  156    HA   ASN  23           HA       ASN  23   8.118   8.547   7.282
  157    HB2  ASN  23           HB2      ASN  23   9.745  10.391   6.837
  158    HB3  ASN  23           HB1      ASN  23  10.363   8.786   6.480
  159   HD21  ASN  23          HD21      ASN  23   9.476  11.870   5.190
  160   HD22  ASN  23          HD22      ASN  23  10.050  11.585   3.580
  161    H    ASN  24           HN       ASN  24   6.253   8.986   4.710
  162    HA   ASN  24           HA       ASN  24   4.997  11.332   5.965
  163    HB2  ASN  24           HB2      ASN  24   5.490  10.848   3.038
  164    HB3  ASN  24           HB1      ASN  24   4.133  11.833   3.567
  165   HD21  ASN  24          HD21      ASN  24   7.570  11.602   3.266
  166   HD22  ASN  24          HD22      ASN  24   7.905  13.274   3.626
  167    H    LEU  25           HN       LEU  25   4.629   8.330   6.043
  168    HA   LEU  25           HA       LEU  25   2.309   7.650   4.586
  169    HG   LEU  25           HG       LEU  25   4.460   5.851   4.547
  170    HB2  LEU  25           HB2      LEU  25   3.811   6.426   6.837
  171    HB3  LEU  25           HB1      LEU  25   2.186   5.850   6.526
  172   HD11  LEU  25          HD11      LEU  25   3.130   3.562   5.990
  173   HD12  LEU  25          HD12      LEU  25   4.711   4.233   6.395
  174   HD13  LEU  25          HD13      LEU  25   4.458   3.451   4.834
  175   HD21  LEU  25          HD21      LEU  25   2.988   4.611   3.101
  176   HD22  LEU  25          HD22      LEU  25   2.230   6.146   3.527
  177   HD23  LEU  25          HD23      LEU  25   1.706   4.655   4.311
  178    H    ASP  26           HN       ASP  26   0.226   7.671   5.040
  179    HA   ASP  26           HA       ASP  26  -0.751   9.422   7.094
  180    HB2  ASP  26           HB2      ASP  26  -1.795   9.364   4.873
  181    HB3  ASP  26           HB1      ASP  26  -2.211   7.670   5.099
  182    HA   PRO  27           HA       PRO  27  -1.325   6.623  10.497
  183    HB2  PRO  27           HB2      PRO  27  -4.079   7.804  10.487
  184    HB3  PRO  27           HB1      PRO  27  -2.977   7.537  11.844
  185    HG2  PRO  27           HG2      PRO  27  -3.272   9.960  10.776
  186    HG3  PRO  27           HG1      PRO  27  -1.691   9.390  11.337
  187    HD2  PRO  27           HD2      PRO  27  -2.688   9.766   8.572
  188    HD3  PRO  27           HD1      PRO  27  -1.028   9.820   9.195
  189    H    ASP  28           HN       ASP  28  -4.126   6.919   8.272
  190    HA   ASP  28           HA       ASP  28  -5.138   4.343   8.980
  191    HB2  ASP  28           HB2      ASP  28  -5.826   6.291   6.794
  192    HB3  ASP  28           HB1      ASP  28  -6.533   4.678   6.827
  193    H    LEU  29           HN       LEU  29  -3.431   5.550   6.069
  194    HA   LEU  29           HA       LEU  29  -3.043   3.206   4.722
  195    HG   LEU  29           HG       LEU  29  -2.168   4.306   2.537
  196    HB2  LEU  29           HB2      LEU  29  -1.479   5.703   5.094
  197    HB3  LEU  29           HB1      LEU  29  -0.652   4.346   4.355
  198   HD11  LEU  29          HD11      LEU  29  -4.241   4.733   3.699
  199   HD12  LEU  29          HD12      LEU  29  -4.055   5.810   2.315
  200   HD13  LEU  29          HD13      LEU  29  -3.766   6.413   3.948
  201   HD21  LEU  29          HD21      LEU  29  -1.856   6.550   1.594
  202   HD22  LEU  29          HD22      LEU  29  -0.399   5.953   2.389
  203   HD23  LEU  29          HD23      LEU  29  -1.424   7.137   3.201
  204    H    ARG  30           HN       ARG  30  -1.063   4.494   7.374
  205    HA   ARG  30           HA       ARG  30   0.827   2.448   7.475
  206    HE   ARG  30           HE       ARG  30   4.032   2.221  10.541
  207    HB2  ARG  30           HB2      ARG  30   0.682   4.744   8.675
  208    HB3  ARG  30           HB1      ARG  30  -0.100   3.841   9.960
  209    HG2  ARG  30           HG2      ARG  30   2.621   3.200   8.837
  210    HG3  ARG  30           HG1      ARG  30   2.346   4.199  10.259
  211    HD2  ARG  30           HD2      ARG  30   1.350   2.334  11.424
  212    HD3  ARG  30           HD1      ARG  30   1.456   1.332   9.977
  213   HH11  ARG  30          HH11      ARG  30   1.595   0.209  12.071
  214   HH12  ARG  30          HH12      ARG  30   2.759  -0.810  12.866
  215   HH21  ARG  30          HH21      ARG  30   5.554   0.895  11.602
  216   HH22  ARG  30          HH22      ARG  30   5.004  -0.381  12.650
  217    H    SER  31           HN       SER  31  -2.313   2.752   9.065
  218    HA   SER  31           HA       SER  31  -2.126   0.366  10.590
  219    HG   SER  31           HG       SER  31  -3.806   0.162  11.906
  220    HB2  SER  31           HB2      SER  31  -3.763   2.392  10.825
  221    HB3  SER  31           HB1      SER  31  -4.728   1.539   9.630
  222    H    LEU  32           HN       LEU  32  -3.639   1.169   7.500
  223    HA   LEU  32           HA       LEU  32  -4.943  -1.245   7.002
  224    HG   LEU  32           HG       LEU  32  -6.204   0.279   4.016
  225    HB2  LEU  32           HB2      LEU  32  -5.201   1.033   5.900
  226    HB3  LEU  32           HB1      LEU  32  -3.802   0.619   4.932
  227   HD11  LEU  32          HD11      LEU  32  -5.438  -1.603   2.640
  228   HD12  LEU  32          HD12      LEU  32  -4.048  -1.785   3.716
  229   HD13  LEU  32          HD13      LEU  32  -4.245  -0.312   2.767
  230   HD21  LEU  32          HD21      LEU  32  -5.793  -2.304   5.489
  231   HD22  LEU  32          HD22      LEU  32  -7.116  -1.923   4.386
  232   HD23  LEU  32          HD23      LEU  32  -6.972  -1.064   5.920
  233    H    PHE  33           HN       PHE  33  -1.907  -0.052   5.655
  234    HA   PHE  33           HA       PHE  33  -1.294  -2.357   4.187
  235    HD1  PHE  33           HD2      PHE  33  -1.853  -1.131   2.723
  236    HD2  PHE  33           HD1      PHE  33   1.086   1.677   4.047
  237    HE1  PHE  33           HE2      PHE  33  -2.695   0.515   1.116
  238    HE2  PHE  33           HE1      PHE  33   0.224   3.322   2.434
  239    HZ   PHE  33           HZ       PHE  33  -1.663   2.740   0.967
  240    HB2  PHE  33           HB2      PHE  33   0.632  -0.309   5.311
  241    HB3  PHE  33           HB1      PHE  33   0.967  -1.431   3.996
  242    H    SER  34           HN       SER  34  -0.430  -1.388   7.462
  243    HA   SER  34           HA       SER  34   1.279  -3.536   8.049
  244    HG   SER  34           HG       SER  34   0.309  -3.482  11.175
  245    HB2  SER  34           HB2      SER  34   1.177  -1.503   9.387
  246    HB3  SER  34           HB1      SER  34  -0.461  -1.903   9.903
  247    H    ARG  35           HN       ARG  35  -2.222  -3.127   8.396
  248    HA   ARG  35           HA       ARG  35  -2.787  -5.589   9.625
  249    HE   ARG  35           HE       ARG  35  -5.714  -2.467  11.884
  250    HB2  ARG  35           HB2      ARG  35  -4.397  -3.721   7.924
  251    HB3  ARG  35           HB1      ARG  35  -5.066  -5.265   8.438
  252    HG2  ARG  35           HG2      ARG  35  -4.952  -4.675  10.704
  253    HG3  ARG  35           HG1      ARG  35  -3.923  -3.285  10.364
  254    HD2  ARG  35           HD2      ARG  35  -5.781  -2.244   9.131
  255    HD3  ARG  35           HD1      ARG  35  -6.801  -3.626   9.527
  256   HH11  ARG  35          HH11      ARG  35  -8.190  -1.976   9.434
  257   HH12  ARG  35          HH12      ARG  35  -9.196  -1.025  10.472
  258   HH21  ARG  35          HH21      ARG  35  -7.053  -1.212  13.247
  259   HH22  ARG  35          HH22      ARG  35  -8.545  -0.570  12.629
  260    H    ALA  36           HN       ALA  36  -2.420  -4.646   6.274
  261    HA   ALA  36           HA       ALA  36  -3.370  -7.088   5.164
  262    HB1  ALA  36           HB1      ALA  36  -2.567  -6.216   3.046
  263    HB2  ALA  36           HB2      ALA  36  -1.664  -4.956   3.885
  264    HB3  ALA  36           HB3      ALA  36  -3.426  -4.965   3.941
  265    H    GLY  37           HN       GLY  37  -0.382  -6.129   6.536
  266    HA2  GLY  37           HA2      GLY  37   1.181  -7.871   7.143
  267    HA3  GLY  37           HA1      GLY  37   0.803  -8.671   5.624
  268    H    ILE  38           HN       ILE  38   0.921  -5.587   4.761
  269    HA   ILE  38           HA       ILE  38   3.479  -5.766   3.530
  270    HB   ILE  38           HB       ILE  38   1.864  -3.243   3.846
  271   HG12  ILE  38          HG12      ILE  38   1.447  -5.160   1.570
  272   HG13  ILE  38          HG11      ILE  38   0.535  -5.346   3.066
  273   HG21  ILE  38          HG21      ILE  38   2.806  -2.752   1.620
  274   HG22  ILE  38          HG22      ILE  38   3.708  -4.269   1.694
  275   HG23  ILE  38          HG23      ILE  38   4.046  -2.983   2.853
  276   HD11  ILE  38          HD11      ILE  38  -0.731  -4.100   1.426
  277   HD12  ILE  38          HD12      ILE  38   0.570  -2.916   1.288
  278   HD13  ILE  38          HD13      ILE  38  -0.328  -3.072   2.799
  279    H    SER  39           HN       SER  39   5.336  -5.492   4.633
  280    HA   SER  39           HA       SER  39   5.413  -3.704   6.927
  281    HG   SER  39           HG       SER  39   7.072  -4.138   8.327
  282    HB2  SER  39           HB2      SER  39   6.521  -6.006   6.880
  283    HB3  SER  39           HB1      SER  39   7.720  -5.276   5.819
  284    H    GLU  40           HN       GLU  40   7.777  -2.498   6.924
  285    HA   GLU  40           HA       GLU  40   7.265  -0.268   5.312
  286    HB2  GLU  40           HB2      GLU  40   8.536  -0.263   7.450
  287    HB3  GLU  40           HB1      GLU  40   9.887  -1.018   6.617
  288    HG2  GLU  40           HG2      GLU  40  10.090   0.933   5.167
  289    HG3  GLU  40           HG1      GLU  40   8.726   1.687   5.994
  290    H    ALA  41           HN       ALA  41   9.759  -2.804   4.920
  291    HA   ALA  41           HA       ALA  41  10.850  -1.653   2.563
  292    HB1  ALA  41           HB1      ALA  41  11.036  -4.511   3.503
  293    HB2  ALA  41           HB2      ALA  41  12.125  -3.203   3.971
  294    HB3  ALA  41           HB3      ALA  41  12.060  -3.738   2.292
  295    H    GLN  42           HN       GLN  42   8.492  -4.260   3.097
  296    HA   GLN  42           HA       GLN  42   8.012  -4.945   0.432
  297    HB2  GLN  42           HB2      GLN  42   7.037  -5.960   2.620
  298    HB3  GLN  42           HB1      GLN  42   5.781  -4.751   2.437
  299    HG2  GLN  42           HG2      GLN  42   5.290  -5.658   0.206
  300    HG3  GLN  42           HG1      GLN  42   6.468  -6.931   0.492
  301   HE21  GLN  42          HE21      GLN  42   3.586  -7.073   0.014
  302   HE22  GLN  42          HE22      GLN  42   2.921  -7.915   1.369
  303    H    LEU  43           HN       LEU  43   6.714  -2.366   2.423
  304    HA   LEU  43           HA       LEU  43   4.856  -1.382   0.494
  305    HG   LEU  43           HG       LEU  43   4.675   1.491   1.524
  306    HB2  LEU  43           HB2      LEU  43   4.659  -1.157   2.947
  307    HB3  LEU  43           HB1      LEU  43   6.021  -0.059   2.939
  308   HD11  LEU  43          HD11      LEU  43   2.248   1.128   1.445
  309   HD12  LEU  43          HD12      LEU  43   2.473  -0.469   2.160
  310   HD13  LEU  43          HD13      LEU  43   3.130  -0.119   0.561
  311   HD21  LEU  43          HD21      LEU  43   3.401   0.738   4.143
  312   HD22  LEU  43          HD22      LEU  43   3.383   2.322   3.367
  313   HD23  LEU  43          HD23      LEU  43   4.897   1.657   3.990
  314    H    THR  44           HN       THR  44   8.149  -1.286   0.584
  315    HA   THR  44           HA       THR  44   8.169   1.043  -1.202
  316    HB   THR  44           HB       THR  44  10.632   1.277  -0.518
  317    HG1  THR  44           HG1      THR  44   9.735  -0.037   1.842
  318   HG21  THR  44          HG21      THR  44  10.039   2.643   1.454
  319   HG22  THR  44          HG22      THR  44   8.441   1.891   1.470
  320   HG23  THR  44          HG23      THR  44   8.926   2.899   0.108
  321    H    ASP  45           HN       ASP  45   7.845  -1.927  -1.519
  322    HA   ASP  45           HA       ASP  45  10.092  -2.614  -3.219
  323    HB2  ASP  45           HB2      ASP  45   8.994  -4.423  -2.021
  324    HB3  ASP  45           HB1      ASP  45   7.448  -3.989  -2.727
  325    H    ALA  46           HN       ALA  46  10.031  -2.715  -5.494
  326    HA   ALA  46           HA       ALA  46   8.747  -0.574  -6.708
  327    HB1  ALA  46           HB1      ALA  46   9.620  -1.332  -8.771
  328    HB2  ALA  46           HB2      ALA  46   9.710  -3.001  -8.201
  329    HB3  ALA  46           HB3      ALA  46  10.794  -1.782  -7.531
  330    H    GLU  47           HN       GLU  47   7.936  -4.056  -7.137
  331    HA   GLU  47           HA       GLU  47   5.605  -3.322  -8.644
  332    HB2  GLU  47           HB2      GLU  47   5.272  -5.572  -9.092
  333    HB3  GLU  47           HB1      GLU  47   7.017  -5.452  -8.944
  334    HG2  GLU  47           HG2      GLU  47   6.837  -6.321  -6.635
  335    HG3  GLU  47           HG1      GLU  47   5.102  -6.505  -6.874
  336    H    THR  48           HN       THR  48   6.207  -4.571  -5.365
  337    HA   THR  48           HA       THR  48   3.602  -4.939  -4.536
  338    HB   THR  48           HB       THR  48   5.805  -3.739  -2.838
  339    HG1  THR  48           HG1      THR  48   6.513  -5.671  -3.763
  340   HG21  THR  48          HG21      THR  48   3.469  -5.463  -1.995
  341   HG22  THR  48          HG22      THR  48   3.434  -3.701  -1.940
  342   HG23  THR  48          HG23      THR  48   4.601  -4.588  -0.956
  343    H    SER  49           HN       SER  49   5.469  -1.903  -4.260
  344    HA   SER  49           HA       SER  49   3.359  -0.425  -3.113
  345    HG   SER  49           HG       SER  49   6.750  -0.419  -3.278
  346    HB2  SER  49           HB2      SER  49   5.654   0.670  -4.738
  347    HB3  SER  49           HB1      SER  49   4.745   1.500  -3.474
  348    H    LYS  50           HN       LYS  50   4.446  -0.793  -6.455
  349    HA   LYS  50           HA       LYS  50   2.812   1.175  -7.617
  350    HB2  LYS  50           HB2      LYS  50   4.773  -0.051  -8.665
  351    HB3  LYS  50           HB1      LYS  50   3.686  -1.407  -8.922
  352    HG2  LYS  50           HG2      LYS  50   2.315  -0.108 -10.394
  353    HG3  LYS  50           HG1      LYS  50   3.229   1.357 -10.025
  354    HD2  LYS  50           HD2      LYS  50   5.259   0.223 -10.953
  355    HD3  LYS  50           HD1      LYS  50   4.213  -1.095 -11.478
  356    HE2  LYS  50           HE2      LYS  50   3.913   1.782 -12.308
  357    HE3  LYS  50           HE1      LYS  50   4.703   0.536 -13.268
  358    HZ1  LYS  50           HZ1      LYS  50   1.872   0.429 -12.384
  359    HZ2  LYS  50           HZ2      LYS  50   2.644  -0.648 -13.442
  360    HZ3  LYS  50           HZ3      LYS  50   2.376   0.962 -13.911
  361    H    LEU  51           HN       LEU  51   2.252  -2.159  -6.749
  362    HA   LEU  51           HA       LEU  51  -0.321  -2.224  -8.058
  363    HG   LEU  51           HG       LEU  51   2.026  -3.751  -8.756
  364    HB2  LEU  51           HB2      LEU  51   1.185  -4.255  -6.427
  365    HB3  LEU  51           HB1      LEU  51  -0.394  -4.553  -7.142
  366   HD11  LEU  51          HD11      LEU  51   2.456  -5.894  -7.696
  367   HD12  LEU  51          HD12      LEU  51   2.177  -6.090  -9.427
  368   HD13  LEU  51          HD13      LEU  51   0.906  -6.502  -8.275
  369   HD21  LEU  51          HD21      LEU  51  -0.661  -4.883  -9.496
  370   HD22  LEU  51          HD22      LEU  51   0.676  -4.620 -10.619
  371   HD23  LEU  51          HD23      LEU  51  -0.085  -3.246  -9.812
  372    H    ILE  52           HN       ILE  52   0.905  -1.932  -4.721
  373    HA   ILE  52           HA       ILE  52  -1.604  -1.980  -3.469
  374    HB   ILE  52           HB       ILE  52   0.822  -0.326  -2.763
  375   HG12  ILE  52          HG12      ILE  52  -0.225  -2.970  -1.733
  376   HG13  ILE  52          HG11      ILE  52   1.249  -2.715  -2.666
  377   HG21  ILE  52          HG21      ILE  52  -0.219  -0.109  -0.537
  378   HG22  ILE  52          HG22      ILE  52  -1.677  -0.880  -1.163
  379   HG23  ILE  52          HG23      ILE  52  -1.160   0.681  -1.804
  380   HD11  ILE  52          HD11      ILE  52   0.671  -1.861   0.151
  381   HD12  ILE  52          HD12      ILE  52   2.064  -1.288  -0.771
  382   HD13  ILE  52          HD13      ILE  52   1.890  -3.007  -0.416
  383    H    TYR  53           HN       TYR  53   0.178   0.761  -4.915
  384    HA   TYR  53           HA       TYR  53  -1.806   2.686  -4.409
  385    HD1  TYR  53           HD2      TYR  53  -1.593   5.155  -4.665
  386    HD2  TYR  53           HD1      TYR  53  -0.332   3.789  -8.492
  387    HE1  TYR  53           HE2      TYR  53  -2.536   7.182  -5.689
  388    HE2  TYR  53           HE1      TYR  53  -1.265   5.816  -9.523
  389    HH   TYR  53           HH       TYR  53  -2.072   8.541  -7.805
  390    HB2  TYR  53           HB2      TYR  53   0.392   3.419  -5.096
  391    HB3  TYR  53           HB1      TYR  53   0.246   2.560  -6.629
  392    H    ASP  54           HN       ASP  54  -1.254   0.569  -7.187
  393    HA   ASP  54           HA       ASP  54  -3.390   1.354  -8.792
  394    HB2  ASP  54           HB2      ASP  54  -1.767  -0.180  -9.667
  395    HB3  ASP  54           HB1      ASP  54  -2.083  -1.347  -8.389
  396    H    PHE  55           HN       PHE  55  -3.261  -1.002  -6.173
  397    HA   PHE  55           HA       PHE  55  -5.902  -1.868  -6.160
  398    HD1  PHE  55           HD1      PHE  55  -6.591  -3.981  -4.228
  399    HD2  PHE  55           HD2      PHE  55  -4.984  -0.655  -2.098
  400    HE1  PHE  55           HE1      PHE  55  -8.189  -4.372  -2.407
  401    HE2  PHE  55           HE2      PHE  55  -6.583  -1.051  -0.278
  402    HZ   PHE  55           HZ       PHE  55  -8.177  -2.926  -0.430
  403    HB2  PHE  55           HB2      PHE  55  -4.373  -3.001  -4.762
  404    HB3  PHE  55           HB1      PHE  55  -3.853  -1.514  -3.981
  405    H    ILE  56           HN       ILE  56  -4.458   0.791  -4.299
  406    HA   ILE  56           HA       ILE  56  -6.786   1.586  -2.974
  407    HB   ILE  56           HB       ILE  56  -4.417   3.307  -3.726
  408   HG12  ILE  56          HG12      ILE  56  -4.940   1.659  -1.240
  409   HG13  ILE  56          HG11      ILE  56  -3.797   1.241  -2.515
  410   HG21  ILE  56          HG21      ILE  56  -6.332   4.622  -2.992
  411   HG22  ILE  56          HG22      ILE  56  -5.060   4.640  -1.769
  412   HG23  ILE  56          HG23      ILE  56  -6.481   3.617  -1.551
  413   HD11  ILE  56          HD11      ILE  56  -2.668   2.201  -0.603
  414   HD12  ILE  56          HD12      ILE  56  -3.652   3.659  -0.737
  415   HD13  ILE  56          HD13      ILE  56  -2.510   3.247  -2.016
  416    H    GLU  57           HN       GLU  57  -5.350   2.748  -5.991
  417    HA   GLU  57           HA       GLU  57  -7.284   4.730  -6.552
  418    HB2  GLU  57           HB2      GLU  57  -4.966   4.327  -7.622
  419    HB3  GLU  57           HB1      GLU  57  -5.784   3.153  -8.637
  420    HG2  GLU  57           HG2      GLU  57  -7.198   4.838  -9.572
  421    HG3  GLU  57           HG1      GLU  57  -6.585   6.044  -8.445
  422    H    ASP  58           HN       ASP  58  -7.019   1.316  -7.364
  423    HA   ASP  58           HA       ASP  58  -9.262   1.046  -9.022
  424    HB2  ASP  58           HB2      ASP  58  -7.538  -0.663  -8.848
  425    HB3  ASP  58           HB1      ASP  58  -7.944  -0.936  -7.160
  426    H    GLN  59           HN       GLN  59  -8.921   0.900  -5.516
  427    HA   GLN  59           HA       GLN  59 -11.535  -0.021  -4.945
  428    HB2  GLN  59           HB2      GLN  59  -9.669   1.619  -3.227
  429    HB3  GLN  59           HB1      GLN  59 -11.123   0.815  -2.658
  430    HG2  GLN  59           HG2      GLN  59  -8.635  -0.489  -3.729
  431    HG3  GLN  59           HG1      GLN  59  -9.194  -0.473  -2.060
  432   HE21  GLN  59          HE21      GLN  59  -9.516  -1.909  -5.161
  433   HE22  GLN  59          HE22      GLN  59 -10.612  -3.162  -4.706
  434    H    GLY  60           HN       GLY  60 -10.426   3.005  -6.032
  435    HA2  GLY  60           HA2      GLY  60 -12.210   4.569  -6.709
  436    HA3  GLY  60           HA1      GLY  60 -12.947   4.267  -5.142
  437    H    GLY  61           HN       GLY  61  -9.737   4.269  -4.571
  438    HA2  GLY  61           HA2      GLY  61  -8.285   6.291  -4.655
  439    HA3  GLY  61           HA1      GLY  61  -9.691   7.180  -4.098
  440    H    LEU  62           HN       LEU  62  -8.034   7.818  -2.472
  441    HA   LEU  62           HA       LEU  62  -7.021   5.890  -0.633
  442    HG   LEU  62           HG       LEU  62  -4.748   7.021  -0.764
  443    HB2  LEU  62           HB2      LEU  62  -7.108   8.901  -0.638
  444    HB3  LEU  62           HB1      LEU  62  -6.459   7.999   0.715
  445   HD11  LEU  62          HD11      LEU  62  -4.414   7.859  -3.007
  446   HD12  LEU  62          HD12      LEU  62  -5.839   8.893  -2.861
  447   HD13  LEU  62          HD13      LEU  62  -6.017   7.137  -2.863
  448   HD21  LEU  62          HD21      LEU  62  -3.435   9.066  -1.056
  449   HD22  LEU  62          HD22      LEU  62  -4.261   9.036   0.502
  450   HD23  LEU  62          HD23      LEU  62  -4.890  10.032  -0.810
  451    H    GLU  63           HN       GLU  63  -9.552   8.331  -0.559
  452    HA   GLU  63           HA       GLU  63 -10.349   8.062   2.106
  453    HB2  GLU  63           HB2      GLU  63 -12.317   8.648  -0.092
  454    HB3  GLU  63           HB1      GLU  63 -12.256   9.312   1.531
  455    HG2  GLU  63           HG2      GLU  63 -11.539  11.096   0.339
  456    HG3  GLU  63           HG1      GLU  63  -9.995  10.330   0.695
  457    H    ALA  64           HN       ALA  64 -11.037   6.152  -0.702
  458    HA   ALA  64           HA       ALA  64 -13.418   4.923   0.149
  459    HB1  ALA  64           HB1      ALA  64 -11.356   3.895  -1.798
  460    HB2  ALA  64           HB2      ALA  64 -12.686   4.987  -2.188
  461    HB3  ALA  64           HB3      ALA  64 -13.024   3.338  -1.655
  462    H    VAL  65           HN       VAL  65 -10.038   3.694   0.240
  463    HA   VAL  65           HA       VAL  65 -10.864   1.247   1.440
  464    HB   VAL  65           HB       VAL  65  -8.724   0.518   1.333
  465   HG11  VAL  65          HG11      VAL  65  -9.251   1.337  -0.872
  466   HG12  VAL  65          HG12      VAL  65  -7.522   1.500  -0.551
  467   HG13  VAL  65          HG13      VAL  65  -8.573   2.915  -0.474
  468   HG21  VAL  65          HG21      VAL  65  -7.734   1.818   3.057
  469   HG22  VAL  65          HG22      VAL  65  -7.775   3.278   2.068
  470   HG23  VAL  65          HG23      VAL  65  -6.693   1.953   1.637
  471    H    ARG  66           HN       ARG  66  -9.799   4.340   2.645
  472    HA   ARG  66           HA       ARG  66  -9.261   3.614   5.308
  473    HE   ARG  66           HE       ARG  66  -7.648   7.250   6.367
  474    HB2  ARG  66           HB2      ARG  66 -10.283   6.246   4.219
  475    HB3  ARG  66           HB1      ARG  66  -9.600   6.008   5.822
  476    HG2  ARG  66           HG2      ARG  66  -7.460   5.399   4.831
  477    HG3  ARG  66           HG1      ARG  66  -8.144   5.594   3.219
  478    HD2  ARG  66           HD2      ARG  66  -6.961   7.586   3.660
  479    HD3  ARG  66           HD1      ARG  66  -8.665   7.982   3.872
  480   HH11  ARG  66          HH11      ARG  66  -7.328   9.844   4.038
  481   HH12  ARG  66          HH12      ARG  66  -6.715  10.983   5.198
  482   HH21  ARG  66          HH21      ARG  66  -6.913   8.729   7.896
  483   HH22  ARG  66          HH22      ARG  66  -6.502  10.353   7.419
  484    H    GLN  67           HN       GLN  67 -12.216   4.207   3.580
  485    HA   GLN  67           HA       GLN  67 -13.831   4.310   5.960
  486    HB2  GLN  67           HB2      GLN  67 -14.520   4.220   3.034
  487    HB3  GLN  67           HB1      GLN  67 -15.729   4.235   4.313
  488    HG2  GLN  67           HG2      GLN  67 -14.829   6.375   5.115
  489    HG3  GLN  67           HG1      GLN  67 -13.667   6.363   3.791
  490   HE21  GLN  67          HE21      GLN  67 -15.806   8.263   4.450
  491   HE22  GLN  67          HE22      GLN  67 -16.803   8.354   3.038
  492    H    GLU  68           HN       GLU  68 -12.918   1.876   3.580
  493    HA   GLU  68           HA       GLU  68 -14.745  -0.118   4.407
  494    HB2  GLU  68           HB2      GLU  68 -11.987  -0.636   3.287
  495    HB3  GLU  68           HB1      GLU  68 -13.396  -1.687   3.212
  496    HG2  GLU  68           HG2      GLU  68 -14.382   0.447   1.940
  497    HG3  GLU  68           HG1      GLU  68 -12.669   0.643   1.566
  498    H    MET  69           HN       MET  69 -11.651   0.965   5.612
  499    HA   MET  69           HA       MET  69 -11.056  -1.148   7.372
  500    HB2  MET  69           HB2      MET  69 -10.531   1.786   7.891
  501    HB3  MET  69           HB1      MET  69  -9.638   0.417   8.535
  502    HG2  MET  69           HG2      MET  69  -8.765  -0.100   6.358
  503    HG3  MET  69           HG1      MET  69  -9.754   1.163   5.628
  504    HE1  MET  69           HE1      MET  69  -6.481   0.276   7.438
  505    HE2  MET  69           HE2      MET  69  -7.460   0.852   8.790
  506    HE3  MET  69           HE3      MET  69  -6.045   1.773   8.270
  507    H    ARG  70           HN       ARG  70 -13.309   1.461   7.490
  508    HA   ARG  70           HA       ARG  70 -14.073   0.868  10.265
  509    HE   ARG  70           HE       ARG  70 -14.584   5.514  10.915
  510    HB2  ARG  70           HB2      ARG  70 -15.114   3.144   8.581
  511    HB3  ARG  70           HB1      ARG  70 -15.036   3.028  10.335
  512    HG2  ARG  70           HG2      ARG  70 -12.679   3.329  10.331
  513    HG3  ARG  70           HG1      ARG  70 -12.601   3.169   8.579
  514    HD2  ARG  70           HD2      ARG  70 -12.449   5.455   8.879
  515    HD3  ARG  70           HD1      ARG  70 -14.166   5.227   8.560
  516   HH11  ARG  70          HH11      ARG  70 -11.326   6.269   9.858
  517   HH12  ARG  70          HH12      ARG  70 -11.004   7.336  11.194
  518   HH21  ARG  70          HH21      ARG  70 -14.139   6.927  12.684
  519   HH22  ARG  70          HH22      ARG  70 -12.593   7.712  12.780
  520    H    ARG  71           HN       ARG  71 -14.628  -0.535   7.610
  521    HA   ARG  71           HA       ARG  71 -17.553  -0.700   7.856
  522    HE   ARG  71           HE       ARG  71 -18.312   1.617   4.234
  523    HB2  ARG  71           HB2      ARG  71 -16.921   0.750   5.946
  524    HB3  ARG  71           HB1      ARG  71 -16.041  -0.602   5.236
  525    HG2  ARG  71           HG2      ARG  71 -18.218  -1.878   5.302
  526    HG3  ARG  71           HG1      ARG  71 -18.991  -0.350   5.728
  527    HD2  ARG  71           HD2      ARG  71 -17.412  -0.957   3.232
  528    HD3  ARG  71           HD1      ARG  71 -19.157  -0.728   3.338
  529   HH11  ARG  71          HH11      ARG  71 -17.153  -0.300   1.556
  530   HH12  ARG  71          HH12      ARG  71 -16.673   1.074   0.606
  531   HH21  ARG  71          HH21      ARG  71 -17.685   3.440   2.997
  532   HH22  ARG  71          HH22      ARG  71 -17.006   3.204   1.411
  533    H    GLN  72           HN       GLN  72 -15.824  -2.247   5.302
  534    HA   GLN  72           HA       GLN  72 -14.883  -4.596   6.315
  535    HB2  GLN  72           HB2      GLN  72 -16.737  -6.197   5.890
  536    HB3  GLN  72           HB1      GLN  72 -17.068  -5.114   7.235
  537    HG2  GLN  72           HG2      GLN  72 -18.478  -3.744   5.779
  538    HG3  GLN  72           HG1      GLN  72 -18.155  -4.844   4.439
  539   HE21  GLN  72          HE21      GLN  72 -19.756  -4.437   7.494
  540   HE22  GLN  72          HE22      GLN  72 -20.819  -5.794   7.344
  541    H1   GLY  73           HT1      GLY  73 -11.659 -15.780   0.345
  542    H2   GLY  73           HT2      GLY  73 -12.066 -14.687  -0.886
  543    H3   GLY  73           HT3      GLY  73 -13.100 -15.983  -0.527
  544    HA2  GLY  73           HA1      GLY  73 -13.919 -13.863   0.359
  545    HA3  GLY  73           HA2      GLY  73 -13.630 -15.075   1.601
  546    H    HIS  74           HN       HIS  74 -13.431 -13.414   3.167
  547    HA   HIS  74           HA       HIS  74 -10.762 -12.161   3.118
  548    HD1  HIS  74           HD1      HIS  74 -14.385 -10.885   1.746
  549    HD2  HIS  74           HD2      HIS  74 -10.756  -8.854   2.010
  550    HE1  HIS  74           HE1      HIS  74 -14.234  -9.493  -0.335
  551    HE2  HIS  74           HE2      HIS  74 -12.193  -8.074   0.000
  552    HB2  HIS  74           HB2      HIS  74 -13.314 -10.865   4.125
  553    HB3  HIS  74           HB1      HIS  74 -11.702 -10.182   4.277
  554    H    MET  75           HN       MET  75  -9.728 -13.428   4.589
  555    HA   MET  75           HA       MET  75 -11.020 -14.548   6.869
  556    HB2  MET  75           HB2      MET  75  -8.056 -14.169   6.403
  557    HB3  MET  75           HB1      MET  75  -8.795 -15.261   7.566
  558    HG2  MET  75           HG2      MET  75  -8.991 -15.453   4.570
  559    HG3  MET  75           HG1      MET  75  -8.006 -16.465   5.623
  560    HE1  MET  75           HE1      MET  75 -10.764 -18.938   4.382
  561    HE2  MET  75           HE2      MET  75  -9.035 -18.606   4.489
  562    HE3  MET  75           HE3      MET  75 -10.061 -17.615   3.452
  563    H    LEU  76           HN       LEU  76  -9.749 -11.534   6.156
  564    HA   LEU  76           HA       LEU  76  -9.791 -10.716   8.981
  565    HG   LEU  76           HG       LEU  76  -8.586  -8.165   9.175
  566    HB2  LEU  76           HB2      LEU  76  -7.682 -10.423   7.378
  567    HB3  LEU  76           HB1      LEU  76  -8.575  -9.008   6.846
  568   HD11  LEU  76          HD11      LEU  76  -8.464 -10.322  10.319
  569   HD12  LEU  76          HD12      LEU  76  -7.183  -9.233  10.854
  570   HD13  LEU  76          HD13      LEU  76  -6.817 -10.539   9.729
  571   HD21  LEU  76          HD21      LEU  76  -6.204  -7.603   9.283
  572   HD22  LEU  76          HD22      LEU  76  -6.836  -7.455   7.643
  573   HD23  LEU  76          HD23      LEU  76  -5.862  -8.854   8.088
  574    HA   PRO  77           HA       PRO  77 -13.414  -8.524   7.790
  575    HB2  PRO  77           HB2      PRO  77 -13.876  -7.179  10.023
  576    HB3  PRO  77           HB1      PRO  77 -13.793  -8.947  10.059
  577    HG2  PRO  77           HG2      PRO  77 -11.767  -6.935  10.920
  578    HG3  PRO  77           HG1      PRO  77 -12.169  -8.501  11.643
  579    HD2  PRO  77           HD2      PRO  77 -10.026  -7.960   9.869
  580    HD3  PRO  77           HD1      PRO  77 -10.620  -9.565  10.368
  581    H    ASP  78           HN       ASP  78 -11.411  -7.304   6.415
  582    HA   ASP  78           HA       ASP  78 -11.826  -4.476   6.674
  583    HB2  ASP  78           HB2      ASP  78 -10.217  -5.132   8.539
  584    HB3  ASP  78           HB1      ASP  78  -9.076  -5.565   7.277
  585    H    VAL  79           HN       VAL  79 -10.782  -3.309   4.992
  586    HA   VAL  79           HA       VAL  79 -10.451  -4.556   2.516
  587    HB   VAL  79           HB       VAL  79 -10.974  -2.237   2.538
  588   HG11  VAL  79          HG11      VAL  79  -8.359  -1.645   3.888
  589   HG12  VAL  79          HG12      VAL  79  -9.907  -1.754   4.728
  590   HG13  VAL  79          HG13      VAL  79  -9.659  -0.515   3.496
  591   HG21  VAL  79          HG21      VAL  79  -9.178  -1.199   1.195
  592   HG22  VAL  79          HG22      VAL  79  -9.626  -2.817   0.646
  593   HG23  VAL  79          HG23      VAL  79  -8.141  -2.578   1.577
  594    H    ALA  80           HN       ALA  80  -8.346  -4.256   5.184
  595    HA   ALA  80           HA       ALA  80  -5.815  -4.661   4.316
  596    HB1  ALA  80           HB1      ALA  80  -6.413  -4.680   6.633
  597    HB2  ALA  80           HB2      ALA  80  -5.546  -6.168   6.257
  598    HB3  ALA  80           HB3      ALA  80  -7.304  -6.193   6.443
  599    H    GLN  81           HN       GLN  81  -8.206  -7.309   4.648
  600    HA   GLN  81           HA       GLN  81  -6.504  -9.253   3.453
  601    HB2  GLN  81           HB2      GLN  81  -9.056  -9.218   4.721
  602    HB3  GLN  81           HB1      GLN  81  -9.241 -10.015   3.166
  603    HG2  GLN  81           HG2      GLN  81  -7.004 -10.798   4.971
  604    HG3  GLN  81           HG1      GLN  81  -8.632 -11.377   5.298
  605   HE21  GLN  81          HE21      GLN  81  -7.398 -10.860   2.045
  606   HE22  GLN  81          HE22      GLN  81  -7.344 -12.530   1.615
  607    H    ARG  82           HN       ARG  82  -8.797  -6.969   2.250
  608    HA   ARG  82           HA       ARG  82  -9.244  -8.108  -0.303
  609    HE   ARG  82           HE       ARG  82 -11.903  -4.665  -2.956
  610    HB2  ARG  82           HB2      ARG  82 -10.802  -6.525   0.495
  611    HB3  ARG  82           HB1      ARG  82  -9.547  -5.372   0.913
  612    HG2  ARG  82           HG2      ARG  82 -10.611  -4.498  -0.967
  613    HG3  ARG  82           HG1      ARG  82  -9.090  -5.185  -1.533
  614    HD2  ARG  82           HD2      ARG  82 -10.147  -7.002  -2.546
  615    HD3  ARG  82           HD1      ARG  82 -11.629  -6.768  -1.618
  616   HH11  ARG  82          HH11      ARG  82 -10.146  -7.422  -4.214
  617   HH12  ARG  82          HH12      ARG  82 -10.431  -7.000  -5.876
  618   HH21  ARG  82          HH21      ARG  82 -12.303  -4.115  -5.137
  619   HH22  ARG  82          HH22      ARG  82 -11.619  -5.098  -6.409
  620    H    LEU  83           HN       LEU  83  -6.836  -5.986   1.074
  621    HA   LEU  83           HA       LEU  83  -5.537  -5.408  -1.419
  622    HG   LEU  83           HG       LEU  83  -2.645  -4.950   0.153
  623    HB2  LEU  83           HB2      LEU  83  -5.425  -3.821   0.420
  624    HB3  LEU  83           HB1      LEU  83  -4.656  -5.018   1.443
  625   HD11  LEU  83          HD11      LEU  83  -2.378  -3.507  -1.802
  626   HD12  LEU  83          HD12      LEU  83  -4.091  -3.089  -1.724
  627   HD13  LEU  83          HD13      LEU  83  -3.601  -4.747  -2.073
  628   HD21  LEU  83          HD21      LEU  83  -2.641  -3.241   1.751
  629   HD22  LEU  83          HD22      LEU  83  -3.788  -2.265   0.834
  630   HD23  LEU  83          HD23      LEU  83  -2.134  -2.456   0.257
  631    H    MET  84           HN       MET  84  -5.054  -7.667   1.252
  632    HA   MET  84           HA       MET  84  -2.590  -8.760   0.678
  633    HB2  MET  84           HB2      MET  84  -5.097 -10.217   1.540
  634    HB3  MET  84           HB1      MET  84  -3.484 -10.911   1.581
  635    HG2  MET  84           HG2      MET  84  -2.788  -9.274   3.216
  636    HG3  MET  84           HG1      MET  84  -4.365  -8.488   3.129
  637    HE1  MET  84           HE1      MET  84  -2.999  -9.492   5.864
  638    HE2  MET  84           HE2      MET  84  -4.395 -10.203   6.675
  639    HE3  MET  84           HE3      MET  84  -4.568  -8.684   5.797
  640    H    GLN  85           HN       GLN  85  -5.714  -9.652  -0.704
  641    HA   GLN  85           HA       GLN  85  -4.796 -11.745  -2.344
  642    HB2  GLN  85           HB2      GLN  85  -7.213  -9.973  -2.745
  643    HB3  GLN  85           HB1      GLN  85  -6.955 -11.556  -3.468
  644    HG2  GLN  85           HG2      GLN  85  -7.117 -12.628  -1.348
  645    HG3  GLN  85           HG1      GLN  85  -7.127 -11.079  -0.505
  646   HE21  GLN  85          HE21      GLN  85  -8.958 -13.304  -2.435
  647   HE22  GLN  85          HE22      GLN  85 -10.508 -12.589  -2.147
  648    H    HIS  86           HN       HIS  86  -5.134  -8.282  -2.881
  649    HA   HIS  86           HA       HIS  86  -4.941  -8.377  -5.701
  650    HD1  HIS  86           HD1      HIS  86  -6.456  -6.564  -7.018
  651    HD2  HIS  86           HD2      HIS  86  -3.201  -4.285  -5.775
  652    HE1  HIS  86           HE1      HIS  86  -6.029  -4.919  -8.872
  653    HE2  HIS  86           HE2      HIS  86  -4.032  -3.579  -8.129
  654    HB2  HIS  86           HB2      HIS  86  -5.897  -6.493  -4.313
  655    HB3  HIS  86           HB1      HIS  86  -4.240  -6.013  -3.960
  656    H    LEU  87           HN       LEU  87  -2.490  -8.209  -3.169
  657    HA   LEU  87           HA       LEU  87  -0.372  -7.742  -5.081
  658    HG   LEU  87           HG       LEU  87   1.270  -6.386  -2.266
  659    HB2  LEU  87           HB2      LEU  87  -0.320  -8.534  -2.175
  660    HB3  LEU  87           HB1      LEU  87   1.134  -8.451  -3.148
  661   HD11  LEU  87          HD11      LEU  87   0.801  -6.063  -4.704
  662   HD12  LEU  87          HD12      LEU  87   0.474  -4.666  -3.677
  663   HD13  LEU  87          HD13      LEU  87  -0.861  -5.665  -4.258
  664   HD21  LEU  87          HD21      LEU  87  -0.570  -5.098  -1.366
  665   HD22  LEU  87          HD22      LEU  87  -0.601  -6.750  -0.748
  666   HD23  LEU  87          HD23      LEU  87  -1.725  -6.263  -2.017
  667    H    ALA  88           HN       ALA  88  -1.901 -10.478  -3.547
  668    HA   ALA  88           HA       ALA  88   0.092 -12.401  -4.115
  669    HB1  ALA  88           HB1      ALA  88  -1.619 -12.706  -2.390
  670    HB2  ALA  88           HB2      ALA  88  -1.591 -14.051  -3.532
  671    HB3  ALA  88           HB3      ALA  88  -2.854 -12.824  -3.644
  672    H    GLU  89           HN       GLU  89  -2.395 -10.988  -6.042
  673    HA   GLU  89           HA       GLU  89  -2.778 -12.995  -7.969
  674    HB2  GLU  89           HB2      GLU  89  -2.832 -10.023  -8.484
  675    HB3  GLU  89           HB1      GLU  89  -3.654 -11.280  -9.397
  676    HG2  GLU  89           HG2      GLU  89  -5.100 -11.738  -7.519
  677    HG3  GLU  89           HG1      GLU  89  -4.238 -10.549  -6.542
  678    H    HIS  90           HN       HIS  90  -0.169 -10.724  -7.516
  679    HA   HIS  90           HA       HIS  90   0.693 -11.133 -10.288
  680    HD1  HIS  90           HD1      HIS  90   0.602  -8.231 -11.841
  681    HD2  HIS  90           HD2      HIS  90  -1.276  -8.212  -8.125
  682    HE1  HIS  90           HE1      HIS  90  -1.556  -6.976 -12.169
  683    HE2  HIS  90           HE2      HIS  90  -2.544  -6.774  -9.867
  684    HB2  HIS  90           HB2      HIS  90   1.476  -8.976  -8.323
  685    HB3  HIS  90           HB1      HIS  90   2.081  -9.107  -9.971
  686    H    GLY  91           HN       GLY  91   2.567 -10.395  -7.336
  687    HA2  GLY  91           HA2      GLY  91   3.830 -12.790  -6.933
  688    HA3  GLY  91           HA1      GLY  91   4.722 -12.056  -8.257
  689    H    ILE  92           HN       ILE  92   3.225 -10.221  -5.720
  690    HA   ILE  92           HA       ILE  92   5.365  -8.574  -5.185
  691    HB   ILE  92           HB       ILE  92   2.844  -9.287  -3.774
  692   HG12  ILE  92          HG12      ILE  92   2.534  -6.800  -4.028
  693   HG13  ILE  92          HG11      ILE  92   4.064  -6.778  -4.896
  694   HG21  ILE  92          HG21      ILE  92   4.953  -7.555  -2.500
  695   HG22  ILE  92          HG22      ILE  92   4.364  -9.105  -1.900
  696   HG23  ILE  92          HG23      ILE  92   3.284  -7.714  -1.953
  697   HD11  ILE  92          HD11      ILE  92   1.597  -8.287  -5.701
  698   HD12  ILE  92          HD12      ILE  92   3.135  -8.286  -6.566
  699   HD13  ILE  92          HD13      ILE  92   2.201  -6.796  -6.426
  700    H    GLN  93           HN       GLN  93   6.984  -8.500  -3.682
  701    HA   GLN  93           HA       GLN  93   7.725 -11.022  -2.423
  702    HB2  GLN  93           HB2      GLN  93   9.151  -8.357  -2.584
  703    HB3  GLN  93           HB1      GLN  93   9.794  -9.761  -1.749
  704    HG2  GLN  93           HG2      GLN  93  10.872  -9.901  -3.760
  705    HG3  GLN  93           HG1      GLN  93   9.478 -10.937  -4.045
  706   HE21  GLN  93          HE21      GLN  93   7.867 -10.250  -5.456
  707   HE22  GLN  93          HE22      GLN  93   8.092  -8.924  -6.545
  708    HA   PRO  94           HA       PRO  94   5.494  -9.295   1.052
  709    HB2  PRO  94           HB2      PRO  94   4.709 -11.616   2.129
  710    HB3  PRO  94           HB1      PRO  94   4.017 -11.004   0.623
  711    HG2  PRO  94           HG2      PRO  94   5.964 -13.199   1.054
  712    HG3  PRO  94           HG1      PRO  94   4.745 -13.008  -0.214
  713    HD2  PRO  94           HD2      PRO  94   7.515 -12.444  -0.399
  714    HD3  PRO  94           HD1      PRO  94   6.265 -12.068  -1.599
  715    H    ALA  95           HN       ALA  95   5.737  -9.040   3.247
  716    HA   ALA  95           HA       ALA  95   8.307  -9.793   4.350
  717    HB1  ALA  95           HB1      ALA  95   7.719  -8.318   6.193
  718    HB2  ALA  95           HB2      ALA  95   6.083  -8.157   5.558
  719    HB3  ALA  95           HB3      ALA  95   7.448  -7.515   4.647
  720    H    ARG  96           HN       ARG  96   5.553 -11.410   4.051
  721    HA   ARG  96           HA       ARG  96   5.006 -12.279   6.702
  722    HE   ARG  96           HE       ARG  96   2.385 -13.383   7.085
  723    HB2  ARG  96           HB2      ARG  96   4.313 -13.625   4.089
  724    HB3  ARG  96           HB1      ARG  96   3.612 -13.996   5.659
  725    HG2  ARG  96           HG2      ARG  96   3.369 -11.391   4.180
  726    HG3  ARG  96           HG1      ARG  96   2.115 -12.620   4.337
  727    HD2  ARG  96           HD2      ARG  96   3.351 -11.025   6.577
  728    HD3  ARG  96           HD1      ARG  96   1.745 -10.783   5.895
  729   HH11  ARG  96          HH11      ARG  96   0.627 -10.356   7.218
  730   HH12  ARG  96          HH12      ARG  96  -0.419 -10.863   8.506
  731   HH21  ARG  96          HH21      ARG  96   1.023 -14.070   8.753
  732   HH22  ARG  96          HH22      ARG  96  -0.197 -12.995   9.389
  733    H    ASN  97           HN       ASN  97   6.803 -13.646   3.987
  734    HA   ASN  97           HA       ASN  97   7.971 -15.653   5.780
  735    HB2  ASN  97           HB2      ASN  97   8.748 -16.778   3.731
  736    HB3  ASN  97           HB1      ASN  97   7.004 -16.538   3.701
  737   HD21  ASN  97          HD21      ASN  97   8.990 -16.910   1.548
  738   HD22  ASN  97          HD22      ASN  97   8.764 -15.566   0.484
  739    H    MET  98           HN       MET  98   8.566 -12.717   5.517
  740    HA   MET  98           HA       MET  98  10.332 -11.301   5.598
  741    HB2  MET  98           HB2      MET  98  11.857 -13.841   6.194
  742    HB3  MET  98           HB1      MET  98  12.450 -12.209   6.470
  743    HG2  MET  98           HG2      MET  98  10.079 -13.487   7.810
  744    HG3  MET  98           HG1      MET  98  11.663 -13.207   8.530
  745    HE1  MET  98           HE1      MET  98   9.365 -10.649  10.413
  746    HE2  MET  98           HE2      MET  98  10.484 -12.002  10.581
  747    HE3  MET  98           HE3      MET  98   8.899 -12.254   9.848
  748    H    ALA  99           HN       ALA  99   9.634 -12.019   3.029
  749    HA   ALA  99           HA       ALA  99  12.198 -12.429   1.652
  750    HB1  ALA  99           HB1      ALA  99  10.890 -13.013  -0.312
  751    HB2  ALA  99           HB2      ALA  99   9.397 -12.643   0.550
  752    HB3  ALA  99           HB3      ALA  99  10.402 -13.997   1.068
  753    H    GLU 100           HN       GLU 100  11.434  -9.907   2.870
  754    HA   GLU 100           HA       GLU 100  10.577  -8.072   0.890
  755    HB2  GLU 100           HB2      GLU 100  12.208  -7.626   3.397
  756    HB3  GLU 100           HB1      GLU 100  11.515  -6.345   2.413
  757    HG2  GLU 100           HG2      GLU 100   9.272  -7.242   2.875
  758    HG3  GLU 100           HG1      GLU 100  10.001  -8.458   3.924
  759    H    HIS 101           HN       HIS 101  11.641  -7.226  -0.749
  760    HA   HIS 101           HA       HIS 101  14.105  -8.057  -1.654
  761    HD1  HIS 101           HD1      HIS 101  11.654  -5.270  -0.455
  762    HD2  HIS 101           HD2      HIS 101  13.380  -3.653  -3.866
  763    HE1  HIS 101           HE1      HIS 101  11.080  -2.837  -0.394
  764    HE2  HIS 101           HE2      HIS 101  11.966  -1.911  -2.564
  765    HB2  HIS 101           HB2      HIS 101  14.007  -6.244  -3.255
  766    HB3  HIS 101           HB1      HIS 101  12.386  -6.889  -3.027
  767    H    ILE 102           HN       ILE 102  16.140  -7.671  -1.100
  768    HA   ILE 102           HA       ILE 102  16.757  -5.192   0.382
  769    HB   ILE 102           HB       ILE 102  18.071  -7.892   0.766
  770   HG12  ILE 102          HG12      ILE 102  16.296  -6.319   2.652
  771   HG13  ILE 102          HG11      ILE 102  15.793  -7.741   1.744
  772   HG21  ILE 102          HG21      ILE 102  19.280  -6.796   2.599
  773   HG22  ILE 102          HG22      ILE 102  18.537  -5.257   2.160
  774   HG23  ILE 102          HG23      ILE 102  19.640  -6.056   1.039
  775   HD11  ILE 102          HD11      ILE 102  17.951  -7.670   3.841
  776   HD12  ILE 102          HD12      ILE 102  17.424  -9.094   2.945
  777   HD13  ILE 102          HD13      ILE 102  16.315  -8.291   4.057
  778    HA   PRO 103           HA       PRO 103  19.465  -4.983  -3.212
  779    HB2  PRO 103           HB2      PRO 103  19.670  -2.306  -3.290
  780    HB3  PRO 103           HB1      PRO 103  18.213  -3.144  -3.832
  781    HG2  PRO 103           HG2      PRO 103  18.713  -1.650  -1.309
  782    HG3  PRO 103           HG1      PRO 103  17.222  -1.792  -2.256
  783    HD2  PRO 103           HD2      PRO 103  17.851  -3.235   0.064
  784    HD3  PRO 103           HD1      PRO 103  16.556  -3.617  -1.085
  785    HA   PRO 104           HA       PRO 104  23.176  -4.661  -0.627
  786    HB2  PRO 104           HB2      PRO 104  24.512  -5.850  -2.929
  787    HB3  PRO 104           HB1      PRO 104  24.302  -6.508  -1.306
  788    HG2  PRO 104           HG2      PRO 104  23.036  -7.529  -3.474
  789    HG3  PRO 104           HG1      PRO 104  22.332  -7.563  -1.846
  790    HD2  PRO 104           HD2      PRO 104  21.763  -5.695  -4.121
  791    HD3  PRO 104           HD1      PRO 104  20.634  -6.469  -2.985
  792    H    ALA 105           HN       ALA 105  25.332  -3.682  -1.013
  793    HA   ALA 105           HA       ALA 105  25.060  -1.395  -2.813
  794    HB1  ALA 105           HB1      ALA 105  26.893  -0.412  -1.568
  795    HB2  ALA 105           HB2      ALA 105  27.124  -1.916  -0.677
  796    HB3  ALA 105           HB3      ALA 105  25.644  -0.981  -0.459
  797    HA   PRO 106           HA       PRO 106  27.698  -3.627  -5.681
  798    HB2  PRO 106           HB2      PRO 106  27.434  -1.179  -7.283
  799    HB3  PRO 106           HB1      PRO 106  26.948  -2.831  -7.672
  800    HG2  PRO 106           HG2      PRO 106  25.144  -0.903  -7.144
  801    HG3  PRO 106           HG1      PRO 106  24.877  -2.595  -6.685
  802    HD2  PRO 106           HD2      PRO 106  25.766  -0.288  -4.993
  803    HD3  PRO 106           HD1      PRO 106  24.610  -1.585  -4.613
  804    H    ASN 107           HN       ASN 107  29.651  -3.560  -4.602
  805    HA   ASN 107           HA       ASN 107  31.243  -1.107  -4.927
  806    HB2  ASN 107           HB2      ASN 107  32.623  -1.871  -3.076
  807    HB3  ASN 107           HB1      ASN 107  30.935  -1.870  -2.581
  808   HD21  ASN 107          HD21      ASN 107  33.729  -3.807  -3.253
  809   HD22  ASN 107          HD22      ASN 107  33.083  -5.303  -2.673
  810    H    TRP 108           HN       TRP 108  33.716  -1.759  -4.941
  811    HA   TRP 108           HA       TRP 108  34.057  -3.546  -7.222
  812    HD1  TRP 108           HD1      TRP 108  38.378  -2.363  -6.190
  813    HE1  TRP 108           HE1      TRP 108  39.756  -3.450  -8.075
  814    HE3  TRP 108           HE3      TRP 108  34.620  -3.170  -9.565
  815    HZ2  TRP 108           HZ2      TRP 108  39.298  -4.519 -10.642
  816    HZ3  TRP 108           HZ3      TRP 108  35.181  -4.238 -11.711
  817    HH2  TRP 108           HH2      TRP 108  37.469  -4.897 -12.237
  818    HB2  TRP 108           HB2      TRP 108  35.080  -1.339  -7.385
  819    HB3  TRP 108           HB1      TRP 108  35.958  -1.601  -5.882
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -9.420  29.061   5.027
    2    H2   GLY   1           HT2      GLY   1  -9.974  27.485   5.323
    3    H3   GLY   1           HT3      GLY   1 -10.797  28.811   5.985
    4    HA2  GLY   1           HA1      GLY   1 -12.030  27.974   4.122
    5    HA3  GLY   1           HA2      GLY   1 -11.390  29.570   3.760
    6    H    HIS   2           HN       HIS   2 -10.924  26.125   3.279
    7    HA   HIS   2           HA       HIS   2  -9.761  26.685   0.661
    8    HD1  HIS   2           HD1      HIS   2  -7.044  26.666   4.046
    9    HD2  HIS   2           HD2      HIS   2  -7.156  27.466  -0.033
   10    HE1  HIS   2           HE1      HIS   2  -5.528  28.637   3.697
   11    HE2  HIS   2           HE2      HIS   2  -5.837  29.260   1.276
   12    HB2  HIS   2           HB2      HIS   2  -8.434  25.018   2.802
   13    HB3  HIS   2           HB1      HIS   2  -8.038  24.855   1.093
   14    H    MET   3           HN       MET   3 -11.136  25.737  -0.641
   15    HA   MET   3           HA       MET   3 -12.742  23.515   0.308
   16    HB2  MET   3           HB2      MET   3 -12.918  25.134  -2.237
   17    HB3  MET   3           HB1      MET   3 -14.064  23.898  -1.744
   18    HG2  MET   3           HG2      MET   3 -15.041  25.967  -1.216
   19    HG3  MET   3           HG1      MET   3 -14.508  25.263   0.309
   20    HE1  MET   3           HE1      MET   3 -15.327  28.291   0.065
   21    HE2  MET   3           HE2      MET   3 -14.028  29.084   0.955
   22    HE3  MET   3           HE3      MET   3 -14.719  27.578   1.559
   23    H    SER   4           HN       SER   4 -13.006  21.587  -0.754
   24    HA   SER   4           HA       SER   4 -12.578  19.769  -2.008
   25    HG   SER   4           HG       SER   4 -13.526  21.629  -3.344
   26    HB2  SER   4           HB2      SER   4 -10.975  21.623  -3.780
   27    HB3  SER   4           HB1      SER   4 -11.479  19.983  -4.188
   28    H    GLY   5           HN       GLY   5  -9.519  21.628  -2.045
   29    HA2  GLY   5           HA2      GLY   5  -7.545  21.048  -0.908
   30    HA3  GLY   5           HA1      GLY   5  -8.241  19.475  -0.546
   31    H    PHE   6           HN       PHE   6  -6.580  18.222  -1.276
   32    HA   PHE   6           HA       PHE   6  -6.078  18.320  -4.178
   33    HD1  PHE   6           HD1      PHE   6  -4.378  19.120  -5.435
   34    HD2  PHE   6           HD2      PHE   6  -2.308  16.263  -3.057
   35    HE1  PHE   6           HE1      PHE   6  -2.937  18.578  -7.351
   36    HE2  PHE   6           HE2      PHE   6  -0.861  15.718  -4.973
   37    HZ   PHE   6           HZ       PHE   6  -1.135  16.902  -7.100
   38    HB2  PHE   6           HB2      PHE   6  -4.151  19.085  -2.673
   39    HB3  PHE   6           HB1      PHE   6  -4.053  17.417  -2.124
   40    H    LYS   7           HN       LYS   7  -8.058  16.874  -3.859
   41    HA   LYS   7           HA       LYS   7  -7.478  14.260  -2.706
   42    HB2  LYS   7           HB2      LYS   7 -10.039  15.512  -3.685
   43    HB3  LYS   7           HB1      LYS   7  -9.925  13.859  -3.099
   44    HG2  LYS   7           HG2      LYS   7  -9.107  14.760  -0.927
   45    HG3  LYS   7           HG1      LYS   7  -9.443  16.383  -1.541
   46    HD2  LYS   7           HD2      LYS   7 -11.773  15.859  -1.808
   47    HD3  LYS   7           HD1      LYS   7 -11.483  14.171  -1.386
   48    HE2  LYS   7           HE2      LYS   7 -10.697  14.963   0.854
   49    HE3  LYS   7           HE1      LYS   7 -11.246  16.580   0.406
   50    HZ1  LYS   7           HZ1      LYS   7 -13.482  15.674   0.095
   51    HZ2  LYS   7           HZ2      LYS   7 -12.934  15.434   1.682
   52    HZ3  LYS   7           HZ3      LYS   7 -12.937  14.141   0.584
   53    H    HIS   8           HN       HIS   8  -7.542  12.375  -3.763
   54    HA   HIS   8           HA       HIS   8  -7.274  10.886  -5.449
   55    HD1  HIS   8           HD1      HIS   8 -10.055  11.027  -8.836
   56    HD2  HIS   8           HD2      HIS   8  -8.490   8.642  -5.818
   57    HE1  HIS   8           HE1      HIS   8  -9.950   8.705  -9.791
   58    HE2  HIS   8           HE2      HIS   8  -8.728   7.355  -8.050
   59    HB2  HIS   8           HB2      HIS   8  -9.776  11.356  -5.334
   60    HB3  HIS   8           HB1      HIS   8  -9.552  12.319  -6.794
   61    H    VAL   9           HN       VAL   9  -5.252  11.801  -6.048
   62    HA   VAL   9           HA       VAL   9  -4.511  12.054  -8.596
   63    HB   VAL   9           HB       VAL   9  -6.133  13.999  -8.755
   64   HG11  VAL   9          HG11      VAL   9  -5.390  16.180  -7.904
   65   HG12  VAL   9          HG12      VAL   9  -4.075  15.380  -7.043
   66   HG13  VAL   9          HG13      VAL   9  -5.751  15.039  -6.609
   67   HG21  VAL   9          HG21      VAL   9  -3.237  14.523  -9.393
   68   HG22  VAL   9          HG22      VAL   9  -4.599  15.423 -10.061
   69   HG23  VAL   9          HG23      VAL   9  -4.417  13.705 -10.420
   70    H    SER  10           HN       SER  10  -4.310  12.808  -5.376
   71    HA   SER  10           HA       SER  10  -1.920  14.191  -5.065
   72    HG   SER  10           HG       SER  10  -1.494  14.514  -2.972
   73    HB2  SER  10           HB2      SER  10  -3.812  13.655  -3.385
   74    HB3  SER  10           HB1      SER  10  -2.963  12.131  -3.124
   75    H    HIS  11           HN       HIS  11  -2.550  10.841  -5.729
   76    HA   HIS  11           HA       HIS  11  -1.286   8.970  -5.905
   77    HD1  HIS  11           HD1      HIS  11   0.757   8.156  -8.338
   78    HD2  HIS  11           HD2      HIS  11  -0.163  12.201  -8.139
   79    HE1  HIS  11           HE1      HIS  11   0.347   8.873 -10.709
   80    HE2  HIS  11           HE2      HIS  11   0.047  11.369 -10.582
   81    HB2  HIS  11           HB2      HIS  11   1.013  10.929  -5.891
   82    HB3  HIS  11           HB1      HIS  11   1.235   9.194  -6.055
   83    H    VAL  12           HN       VAL  12  -1.615  10.808  -3.374
   84    HA   VAL  12           HA       VAL  12  -1.569  10.658  -1.173
   85    HB   VAL  12           HB       VAL  12  -2.618   8.459  -1.671
   86   HG11  VAL  12          HG11      VAL  12   0.084   7.331  -0.976
   87   HG12  VAL  12          HG12      VAL  12  -0.714   7.230  -2.545
   88   HG13  VAL  12          HG13      VAL  12  -1.411   6.411  -1.147
   89   HG21  VAL  12          HG21      VAL  12  -2.422   7.659   0.647
   90   HG22  VAL  12          HG22      VAL  12  -2.668   9.403   0.526
   91   HG23  VAL  12          HG23      VAL  12  -1.063   8.761   0.880
   92    H    GLY  13           HN       GLY  13   1.186   8.824  -2.428
   93    HA2  GLY  13           HA2      GLY  13   3.220  10.283  -1.399
   94    HA3  GLY  13           HA1      GLY  13   2.724   9.287  -0.032
   95    H    TRP  14           HN       TRP  14   2.695   8.490  -3.450
   96    HA   TRP  14           HA       TRP  14   4.532   6.270  -2.871
   97    HD1  TRP  14           HD1      TRP  14   4.227   3.292  -3.671
   98    HE1  TRP  14           HE1      TRP  14   4.662   2.029  -5.869
   99    HE3  TRP  14           HE3      TRP  14   1.946   6.511  -6.926
  100    HZ2  TRP  14           HZ2      TRP  14   4.106   2.349  -8.614
  101    HZ3  TRP  14           HZ3      TRP  14   1.939   5.954  -9.323
  102    HH2  TRP  14           HH2      TRP  14   2.998   3.911 -10.148
  103    HB2  TRP  14           HB2      TRP  14   2.404   5.267  -3.113
  104    HB3  TRP  14           HB1      TRP  14   1.968   6.317  -4.457
  105    H    ASP  15           HN       ASP  15   6.234   6.068  -4.167
  106    HA   ASP  15           HA       ASP  15   6.274   7.587  -6.690
  107    HB2  ASP  15           HB2      ASP  15   8.073   8.209  -5.135
  108    HB3  ASP  15           HB1      ASP  15   8.561   6.528  -5.032
  109    HA   PRO  16           HA       PRO  16   5.656   4.071  -9.145
  110    HB2  PRO  16           HB2      PRO  16   7.861   4.503 -10.890
  111    HB3  PRO  16           HB1      PRO  16   6.178   4.965 -11.141
  112    HG2  PRO  16           HG2      PRO  16   8.456   6.584 -10.162
  113    HG3  PRO  16           HG1      PRO  16   7.006   7.096 -11.045
  114    HD2  PRO  16           HD2      PRO  16   7.328   7.614  -8.422
  115    HD3  PRO  16           HD1      PRO  16   5.730   7.226  -9.110
  116    H    GLN  17           HN       GLN  17   9.168   4.590  -8.614
  117    HA   GLN  17           HA       GLN  17   9.452   1.670  -8.464
  118    HB2  GLN  17           HB2      GLN  17  11.606   3.736  -8.873
  119    HB3  GLN  17           HB1      GLN  17  11.825   1.994  -8.869
  120    HG2  GLN  17           HG2      GLN  17  11.786   2.469 -11.111
  121    HG3  GLN  17           HG1      GLN  17  10.114   2.012 -10.802
  122   HE21  GLN  17          HE21      GLN  17  11.548   5.061  -9.855
  123   HE22  GLN  17          HE22      GLN  17  10.625   6.049 -10.942
  124    H    ASN  18           HN       ASN  18   9.908   4.608  -6.630
  125    HA   ASN  18           HA       ASN  18  11.581   3.318  -4.660
  126    HB2  ASN  18           HB2      ASN  18  10.314   6.055  -4.722
  127    HB3  ASN  18           HB1      ASN  18  11.345   5.480  -3.418
  128   HD21  ASN  18          HD21      ASN  18  11.211   6.489  -6.737
  129   HD22  ASN  18          HD22      ASN  18  12.924   6.694  -6.951
  130    H    GLY  19           HN       GLY  19   8.239   3.643  -5.195
  131    HA2  GLY  19           HA2      GLY  19   6.572   2.496  -4.067
  132    HA3  GLY  19           HA1      GLY  19   7.725   2.131  -2.791
  133    H    PHE  20           HN       PHE  20   5.920   2.639  -1.400
  134    HA   PHE  20           HA       PHE  20   4.953   5.329  -1.213
  135    HD1  PHE  20           HD1      PHE  20   3.737   1.738  -1.356
  136    HD2  PHE  20           HD2      PHE  20   2.063   5.334   0.193
  137    HE1  PHE  20           HE1      PHE  20   1.622   1.249  -2.512
  138    HE2  PHE  20           HE2      PHE  20  -0.051   4.860  -0.967
  139    HZ   PHE  20           HZ       PHE  20  -0.275   2.812  -2.324
  140    HB2  PHE  20           HB2      PHE  20   4.723   2.916   0.579
  141    HB3  PHE  20           HB1      PHE  20   4.108   4.489   1.061
  142    H    ASP  21           HN       ASP  21   5.618   6.936   0.124
  143    HA   ASP  21           HA       ASP  21   8.211   6.692   1.340
  144    HB2  ASP  21           HB2      ASP  21   6.250   8.891   0.943
  145    HB3  ASP  21           HB1      ASP  21   7.349   9.043   2.310
  146    H    VAL  22           HN       VAL  22   8.136   5.225   2.966
  147    HA   VAL  22           HA       VAL  22   6.065   4.955   4.839
  148    HB   VAL  22           HB       VAL  22   7.711   3.203   4.411
  149   HG11  VAL  22          HG11      VAL  22   9.673   5.000   5.814
  150   HG12  VAL  22          HG12      VAL  22   9.712   4.497   4.124
  151   HG13  VAL  22          HG13      VAL  22   9.958   3.309   5.402
  152   HG21  VAL  22          HG21      VAL  22   7.644   4.117   7.282
  153   HG22  VAL  22          HG22      VAL  22   8.114   2.505   6.741
  154   HG23  VAL  22          HG23      VAL  22   6.469   3.081   6.472
  155    H    ASN  23           HN       ASN  23   8.530   7.296   4.566
  156    HA   ASN  23           HA       ASN  23   8.418   8.141   7.330
  157    HB2  ASN  23           HB2      ASN  23   9.928   9.926   6.657
  158    HB3  ASN  23           HB1      ASN  23  10.495   8.398   5.995
  159   HD21  ASN  23          HD21      ASN  23  10.398   8.046   3.785
  160   HD22  ASN  23          HD22      ASN  23  10.096   9.328   2.647
  161    H    ASN  24           HN       ASN  24   6.471   8.548   4.617
  162    HA   ASN  24           HA       ASN  24   5.195  10.927   5.788
  163    HB2  ASN  24           HB2      ASN  24   6.004  10.475   2.926
  164    HB3  ASN  24           HB1      ASN  24   4.657  11.534   3.321
  165   HD21  ASN  24          HD21      ASN  24   7.292  12.072   2.107
  166   HD22  ASN  24          HD22      ASN  24   7.997  13.322   3.083
  167    H    LEU  25           HN       LEU  25   4.591   8.056   5.929
  168    HA   LEU  25           HA       LEU  25   2.483   7.467   4.113
  169    HG   LEU  25           HG       LEU  25   4.587   5.637   4.365
  170    HB2  LEU  25           HB2      LEU  25   3.571   6.172   6.567
  171    HB3  LEU  25           HB1      LEU  25   2.017   5.652   5.948
  172   HD11  LEU  25          HD11      LEU  25   3.102   3.377   5.701
  173   HD12  LEU  25          HD12      LEU  25   4.655   4.041   6.213
  174   HD13  LEU  25          HD13      LEU  25   4.516   3.218   4.658
  175   HD21  LEU  25          HD21      LEU  25   2.529   5.878   3.031
  176   HD22  LEU  25          HD22      LEU  25   1.897   4.410   3.778
  177   HD23  LEU  25          HD23      LEU  25   3.335   4.334   2.760
  178    H    ASP  26           HN       ASP  26   0.398   7.765   4.229
  179    HA   ASP  26           HA       ASP  26  -0.912   9.432   6.054
  180    HB2  ASP  26           HB2      ASP  26  -1.876   9.043   3.894
  181    HB3  ASP  26           HB1      ASP  26  -1.903   7.303   4.149
  182    HA   PRO  27           HA       PRO  27  -1.040   7.069   9.756
  183    HB2  PRO  27           HB2      PRO  27  -3.671   8.429  10.075
  184    HB3  PRO  27           HB1      PRO  27  -2.310   8.334  11.197
  185    HG2  PRO  27           HG2      PRO  27  -2.778  10.560   9.822
  186    HG3  PRO  27           HG1      PRO  27  -1.120   9.993  10.102
  187    HD2  PRO  27           HD2      PRO  27  -2.773   9.875   7.623
  188    HD3  PRO  27           HD1      PRO  27  -1.024  10.107   7.808
  189    H    ASP  28           HN       ASP  28  -3.908   7.146   7.677
  190    HA   ASP  28           HA       ASP  28  -5.072   4.839   8.966
  191    HB2  ASP  28           HB2      ASP  28  -5.819   6.280   6.406
  192    HB3  ASP  28           HB1      ASP  28  -6.748   4.967   7.120
  193    H    LEU  29           HN       LEU  29  -3.482   5.531   5.848
  194    HA   LEU  29           HA       LEU  29  -3.525   2.906   4.855
  195    HG   LEU  29           HG       LEU  29  -3.671   5.749   3.601
  196    HB2  LEU  29           HB2      LEU  29  -1.479   5.081   4.449
  197    HB3  LEU  29           HB1      LEU  29  -1.556   3.604   3.510
  198   HD11  LEU  29          HD11      LEU  29  -1.664   4.960   1.500
  199   HD12  LEU  29          HD12      LEU  29  -1.705   6.463   2.424
  200   HD13  LEU  29          HD13      LEU  29  -2.984   6.108   1.263
  201   HD21  LEU  29          HD21      LEU  29  -4.651   3.541   3.281
  202   HD22  LEU  29          HD22      LEU  29  -3.513   3.213   1.975
  203   HD23  LEU  29          HD23      LEU  29  -4.726   4.480   1.789
  204    H    ARG  30           HN       ARG  30  -1.212   4.550   6.949
  205    HA   ARG  30           HA       ARG  30   0.732   2.531   7.079
  206    HE   ARG  30           HE       ARG  30   0.940   4.900  11.247
  207    HB2  ARG  30           HB2      ARG  30   0.942   4.908   7.869
  208    HB3  ARG  30           HB1      ARG  30  -0.009   4.473   9.277
  209    HG2  ARG  30           HG2      ARG  30   2.492   2.967   8.644
  210    HG3  ARG  30           HG1      ARG  30   2.583   4.549   9.418
  211    HD2  ARG  30           HD2      ARG  30   1.050   2.163  10.451
  212    HD3  ARG  30           HD1      ARG  30   2.608   2.727  11.056
  213   HH11  ARG  30          HH11      ARG  30   0.869   1.607  12.457
  214   HH12  ARG  30          HH12      ARG  30   0.078   2.042  13.941
  215   HH21  ARG  30          HH21      ARG  30  -0.123   5.457  13.168
  216   HH22  ARG  30          HH22      ARG  30  -0.516   4.231  14.336
  217    H    SER  31           HN       SER  31  -2.293   2.986   8.756
  218    HA   SER  31           HA       SER  31  -1.962   0.839  10.619
  219    HG   SER  31           HG       SER  31  -3.698   0.978  12.161
  220    HB2  SER  31           HB2      SER  31  -3.564   2.862  10.776
  221    HB3  SER  31           HB1      SER  31  -4.584   1.978   9.647
  222    H    LEU  32           HN       LEU  32  -3.525   1.292   7.505
  223    HA   LEU  32           HA       LEU  32  -4.879  -1.182   7.412
  224    HG   LEU  32           HG       LEU  32  -6.586   0.033   4.574
  225    HB2  LEU  32           HB2      LEU  32  -5.342   0.996   6.182
  226    HB3  LEU  32           HB1      LEU  32  -4.075   0.517   5.072
  227   HD11  LEU  32          HD11      LEU  32  -5.967  -1.773   3.122
  228   HD12  LEU  32          HD12      LEU  32  -4.499  -2.060   4.062
  229   HD13  LEU  32          HD13      LEU  32  -4.679  -0.565   3.143
  230   HD21  LEU  32          HD21      LEU  32  -7.209  -2.271   5.219
  231   HD22  LEU  32          HD22      LEU  32  -7.083  -1.176   6.597
  232   HD23  LEU  32          HD23      LEU  32  -5.787  -2.325   6.262
  233    H    PHE  33           HN       PHE  33  -2.047  -0.019   5.650
  234    HA   PHE  33           HA       PHE  33  -1.474  -2.304   4.193
  235    HD1  PHE  33           HD2      PHE  33  -2.135  -0.996   2.945
  236    HD2  PHE  33           HD1      PHE  33   1.280   1.460   3.666
  237    HE1  PHE  33           HE2      PHE  33  -2.902   0.577   1.227
  238    HE2  PHE  33           HE1      PHE  33   0.503   3.036   1.950
  239    HZ   PHE  33           HZ       PHE  33  -1.475   2.610   0.695
  240    HB2  PHE  33           HB2      PHE  33   0.475  -0.280   5.309
  241    HB3  PHE  33           HB1      PHE  33   0.863  -1.463   4.068
  242    H    SER  34           HN       SER  34  -0.561  -1.481   7.465
  243    HA   SER  34           HA       SER  34   1.203  -3.598   7.950
  244    HG   SER  34           HG       SER  34   1.674  -2.918  10.940
  245    HB2  SER  34           HB2      SER  34   1.052  -1.667   9.400
  246    HB3  SER  34           HB1      SER  34  -0.607  -2.075   9.831
  247    H    ARG  35           HN       ARG  35  -2.309  -3.327   8.355
  248    HA   ARG  35           HA       ARG  35  -2.755  -5.915   9.394
  249    HE   ARG  35           HE       ARG  35  -7.461  -4.369   8.488
  250    HB2  ARG  35           HB2      ARG  35  -4.507  -4.027   7.835
  251    HB3  ARG  35           HB1      ARG  35  -5.078  -5.600   8.372
  252    HG2  ARG  35           HG2      ARG  35  -4.734  -4.986  10.667
  253    HG3  ARG  35           HG1      ARG  35  -4.017  -3.460  10.169
  254    HD2  ARG  35           HD2      ARG  35  -6.372  -3.250  10.917
  255    HD3  ARG  35           HD1      ARG  35  -6.095  -2.689   9.272
  256   HH11  ARG  35          HH11      ARG  35  -6.705  -4.994  11.860
  257   HH12  ARG  35          HH12      ARG  35  -7.909  -6.230  12.029
  258   HH21  ARG  35          HH21      ARG  35  -9.087  -5.961   8.728
  259   HH22  ARG  35          HH22      ARG  35  -9.294  -6.746  10.275
  260    H    ALA  36           HN       ALA  36  -2.365  -4.642   6.190
  261    HA   ALA  36           HA       ALA  36  -3.390  -6.910   4.802
  262    HB1  ALA  36           HB1      ALA  36  -2.798  -5.743   2.815
  263    HB2  ALA  36           HB2      ALA  36  -1.624  -4.749   3.680
  264    HB3  ALA  36           HB3      ALA  36  -3.347  -4.535   3.978
  265    H    GLY  37           HN       GLY  37  -0.530  -6.490   6.472
  266    HA2  GLY  37           HA2      GLY  37   1.162  -8.121   6.658
  267    HA3  GLY  37           HA1      GLY  37   0.671  -8.788   5.106
  268    H    ILE  38           HN       ILE  38   0.706  -5.644   4.537
  269    HA   ILE  38           HA       ILE  38   3.194  -5.623   3.167
  270    HB   ILE  38           HB       ILE  38   1.441  -3.262   3.842
  271   HG12  ILE  38          HG12      ILE  38   1.267  -5.004   1.377
  272   HG13  ILE  38          HG11      ILE  38   0.204  -5.194   2.766
  273   HG21  ILE  38          HG21      ILE  38   3.646  -2.705   2.980
  274   HG22  ILE  38          HG22      ILE  38   2.399  -2.313   1.795
  275   HG23  ILE  38          HG23      ILE  38   3.386  -3.761   1.593
  276   HD11  ILE  38          HD11      ILE  38  -0.864  -3.918   1.017
  277   HD12  ILE  38          HD12      ILE  38   0.456  -2.749   1.038
  278   HD13  ILE  38          HD13      ILE  38  -0.599  -2.911   2.442
  279    H    SER  39           HN       SER  39   5.011  -5.609   4.331
  280    HA   SER  39           HA       SER  39   5.184  -3.940   6.706
  281    HG   SER  39           HG       SER  39   7.073  -5.289   8.283
  282    HB2  SER  39           HB2      SER  39   6.042  -6.293   6.731
  283    HB3  SER  39           HB1      SER  39   7.268  -5.795   5.570
  284    H    GLU  40           HN       GLU  40   7.670  -3.026   6.792
  285    HA   GLU  40           HA       GLU  40   7.529  -0.730   5.208
  286    HB2  GLU  40           HB2      GLU  40   9.871  -1.895   6.721
  287    HB3  GLU  40           HB1      GLU  40   9.806  -0.259   6.078
  288    HG2  GLU  40           HG2      GLU  40   8.004   0.321   7.528
  289    HG3  GLU  40           HG1      GLU  40   7.823  -1.349   8.058
  290    H    ALA  41           HN       ALA  41   9.431  -3.687   4.781
  291    HA   ALA  41           HA       ALA  41  10.966  -2.862   2.591
  292    HB1  ALA  41           HB1      ALA  41  11.288  -5.217   2.119
  293    HB2  ALA  41           HB2      ALA  41   9.917  -5.635   3.146
  294    HB3  ALA  41           HB3      ALA  41  11.371  -4.931   3.857
  295    H    GLN  42           HN       GLN  42   7.728  -4.315   2.683
  296    HA   GLN  42           HA       GLN  42   7.432  -4.542  -0.121
  297    HB2  GLN  42           HB2      GLN  42   5.467  -4.519   2.151
  298    HB3  GLN  42           HB1      GLN  42   4.925  -4.573   0.481
  299    HG2  GLN  42           HG2      GLN  42   6.256  -6.632   0.161
  300    HG3  GLN  42           HG1      GLN  42   6.663  -6.592   1.876
  301   HE21  GLN  42          HE21      GLN  42   3.556  -5.624   0.626
  302   HE22  GLN  42          HE22      GLN  42   2.660  -6.939   1.294
  303    H    LEU  43           HN       LEU  43   6.754  -1.962   2.167
  304    HA   LEU  43           HA       LEU  43   5.345  -0.367   0.246
  305    HG   LEU  43           HG       LEU  43   4.319  -1.049   2.927
  306    HB2  LEU  43           HB2      LEU  43   6.437   0.207   2.986
  307    HB3  LEU  43           HB1      LEU  43   5.714   1.460   1.992
  308   HD11  LEU  43          HD11      LEU  43   4.740   0.550   4.733
  309   HD12  LEU  43          HD12      LEU  43   3.025   0.447   4.335
  310   HD13  LEU  43          HD13      LEU  43   3.977   1.822   3.778
  311   HD21  LEU  43          HD21      LEU  43   3.302   1.340   1.392
  312   HD22  LEU  43          HD22      LEU  43   2.315   0.011   2.003
  313   HD23  LEU  43          HD23      LEU  43   3.523  -0.288   0.754
  314    H    THR  44           HN       THR  44   8.570  -1.114   0.660
  315    HA   THR  44           HA       THR  44   9.325   1.303  -0.840
  316    HB   THR  44           HB       THR  44  11.705   0.702  -0.068
  317    HG1  THR  44           HG1      THR  44  10.294  -0.612   2.028
  318   HG21  THR  44          HG21      THR  44  11.413   1.890   2.072
  319   HG22  THR  44          HG22      THR  44   9.670   1.659   1.952
  320   HG23  THR  44          HG23      THR  44  10.511   2.657   0.766
  321    H    ASP  45           HN       ASP  45   8.274  -1.504  -1.474
  322    HA   ASP  45           HA       ASP  45  10.386  -2.539  -3.193
  323    HB2  ASP  45           HB2      ASP  45   9.001  -4.132  -1.918
  324    HB3  ASP  45           HB1      ASP  45   7.562  -3.536  -2.733
  325    H    ALA  46           HN       ALA  46   9.966  -2.944  -5.487
  326    HA   ALA  46           HA       ALA  46   8.953  -0.600  -6.738
  327    HB1  ALA  46           HB1      ALA  46  10.886  -1.811  -7.614
  328    HB2  ALA  46           HB2      ALA  46   9.614  -1.655  -8.825
  329    HB3  ALA  46           HB3      ALA  46   9.850  -3.189  -7.988
  330    H    GLU  47           HN       GLU  47   8.009  -4.022  -7.258
  331    HA   GLU  47           HA       GLU  47   5.689  -3.140  -8.690
  332    HB2  GLU  47           HB2      GLU  47   5.343  -5.344  -9.313
  333    HB3  GLU  47           HB1      GLU  47   7.084  -5.264  -9.124
  334    HG2  GLU  47           HG2      GLU  47   6.823  -6.272  -6.863
  335    HG3  GLU  47           HG1      GLU  47   5.105  -6.455  -7.201
  336    H    THR  48           HN       THR  48   6.326  -4.478  -5.491
  337    HA   THR  48           HA       THR  48   3.721  -5.008  -4.698
  338    HB   THR  48           HB       THR  48   5.878  -3.846  -2.924
  339    HG1  THR  48           HG1      THR  48   6.720  -5.657  -3.931
  340   HG21  THR  48          HG21      THR  48   3.454  -5.560  -2.352
  341   HG22  THR  48          HG22      THR  48   3.700  -3.884  -1.860
  342   HG23  THR  48          HG23      THR  48   4.707  -5.160  -1.174
  343    H    SER  49           HN       SER  49   5.526  -1.990  -4.066
  344    HA   SER  49           HA       SER  49   3.412  -0.602  -2.896
  345    HG   SER  49           HG       SER  49   6.879  -0.308  -3.067
  346    HB2  SER  49           HB2      SER  49   5.661   0.620  -4.499
  347    HB3  SER  49           HB1      SER  49   4.733   1.383  -3.210
  348    H    LYS  50           HN       LYS  50   4.418  -0.816  -6.277
  349    HA   LYS  50           HA       LYS  50   2.727   1.169  -7.311
  350    HB2  LYS  50           HB2      LYS  50   4.615   0.162  -8.548
  351    HB3  LYS  50           HB1      LYS  50   3.720  -1.345  -8.665
  352    HG2  LYS  50           HG2      LYS  50   2.023  -0.267 -10.018
  353    HG3  LYS  50           HG1      LYS  50   2.850   1.283  -9.844
  354    HD2  LYS  50           HD2      LYS  50   4.809   0.361 -10.991
  355    HD3  LYS  50           HD1      LYS  50   3.973  -1.183 -11.171
  356    HE2  LYS  50           HE2      LYS  50   3.823   0.070 -13.230
  357    HE3  LYS  50           HE1      LYS  50   2.233  -0.055 -12.486
  358    HZ1  LYS  50           HZ1      LYS  50   2.469   2.185 -11.647
  359    HZ2  LYS  50           HZ2      LYS  50   2.655   2.161 -13.332
  360    HZ3  LYS  50           HZ3      LYS  50   4.020   2.311 -12.332
  361    H    LEU  51           HN       LEU  51   2.230  -2.263  -6.719
  362    HA   LEU  51           HA       LEU  51  -0.407  -2.185  -7.882
  363    HG   LEU  51           HG       LEU  51   1.659  -3.614  -9.011
  364    HB2  LEU  51           HB2      LEU  51   1.227  -4.354  -6.601
  365    HB3  LEU  51           HB1      LEU  51  -0.443  -4.600  -7.092
  366   HD11  LEU  51          HD11      LEU  51   2.333  -5.799  -8.102
  367   HD12  LEU  51          HD12      LEU  51   1.907  -5.867  -9.813
  368   HD13  LEU  51          HD13      LEU  51   0.775  -6.460  -8.598
  369   HD21  LEU  51          HD21      LEU  51  -1.038  -4.906  -9.374
  370   HD22  LEU  51          HD22      LEU  51   0.059  -4.442 -10.677
  371   HD23  LEU  51          HD23      LEU  51  -0.652  -3.204  -9.638
  372    H    ILE  52           HN       ILE  52   0.972  -1.923  -4.676
  373    HA   ILE  52           HA       ILE  52  -1.447  -2.146  -3.247
  374    HB   ILE  52           HB       ILE  52   0.907  -0.334  -2.693
  375   HG12  ILE  52          HG12      ILE  52   0.179  -3.062  -1.607
  376   HG13  ILE  52          HG11      ILE  52   1.513  -2.701  -2.700
  377   HG21  ILE  52          HG21      ILE  52   0.026  -0.243  -0.395
  378   HG22  ILE  52          HG22      ILE  52  -1.394  -1.145  -0.922
  379   HG23  ILE  52          HG23      ILE  52  -1.085   0.468  -1.568
  380   HD11  ILE  52          HD11      ILE  52   1.195  -1.860   0.163
  381   HD12  ILE  52          HD12      ILE  52   2.443  -1.218  -0.913
  382   HD13  ILE  52          HD13      ILE  52   2.414  -2.939  -0.527
  383    H    TYR  53           HN       TYR  53   0.136   0.648  -4.790
  384    HA   TYR  53           HA       TYR  53  -1.931   2.481  -4.229
  385    HD1  TYR  53           HD2      TYR  53  -1.411   5.056  -4.255
  386    HD2  TYR  53           HD1      TYR  53  -0.878   3.713  -8.254
  387    HE1  TYR  53           HE2      TYR  53  -2.406   7.150  -5.082
  388    HE2  TYR  53           HE1      TYR  53  -1.869   5.805  -9.094
  389    HH   TYR  53           HH       TYR  53  -2.261   8.529  -7.210
  390    HB2  TYR  53           HB2      TYR  53   0.289   3.232  -4.942
  391    HB3  TYR  53           HB1      TYR  53   0.051   2.484  -6.520
  392    H    ASP  54           HN       ASP  54  -1.312   0.328  -6.945
  393    HA   ASP  54           HA       ASP  54  -3.474   0.914  -8.581
  394    HB2  ASP  54           HB2      ASP  54  -1.674  -0.678  -9.161
  395    HB3  ASP  54           HB1      ASP  54  -2.286  -1.806  -7.959
  396    H    PHE  55           HN       PHE  55  -3.288  -1.139  -5.738
  397    HA   PHE  55           HA       PHE  55  -5.915  -2.108  -5.676
  398    HD1  PHE  55           HD1      PHE  55  -6.294  -4.285  -3.608
  399    HD2  PHE  55           HD2      PHE  55  -5.151  -0.644  -1.707
  400    HE1  PHE  55           HE1      PHE  55  -7.807  -4.787  -1.743
  401    HE2  PHE  55           HE2      PHE  55  -6.669  -1.150   0.159
  402    HZ   PHE  55           HZ       PHE  55  -7.997  -3.227   0.152
  403    HB2  PHE  55           HB2      PHE  55  -4.286  -3.109  -4.264
  404    HB3  PHE  55           HB1      PHE  55  -3.858  -1.569  -3.539
  405    H    ILE  56           HN       ILE  56  -4.477   0.738  -4.119
  406    HA   ILE  56           HA       ILE  56  -6.822   1.564  -2.786
  407    HB   ILE  56           HB       ILE  56  -4.482   3.287  -3.618
  408   HG12  ILE  56          HG12      ILE  56  -4.895   1.656  -1.100
  409   HG13  ILE  56          HG11      ILE  56  -3.790   1.242  -2.407
  410   HG21  ILE  56          HG21      ILE  56  -5.093   4.641  -1.680
  411   HG22  ILE  56          HG22      ILE  56  -6.461   3.570  -1.362
  412   HG23  ILE  56          HG23      ILE  56  -6.428   4.544  -2.833
  413   HD11  ILE  56          HD11      ILE  56  -3.630   3.676  -0.656
  414   HD12  ILE  56          HD12      ILE  56  -2.524   3.274  -1.971
  415   HD13  ILE  56          HD13      ILE  56  -2.617   2.236  -0.549
  416    H    GLU  57           HN       GLU  57  -5.381   2.481  -5.871
  417    HA   GLU  57           HA       GLU  57  -7.258   4.443  -6.625
  418    HB2  GLU  57           HB2      GLU  57  -4.993   3.910  -7.672
  419    HB3  GLU  57           HB1      GLU  57  -5.781   2.570  -8.487
  420    HG2  GLU  57           HG2      GLU  57  -5.639   4.397 -10.004
  421    HG3  GLU  57           HG1      GLU  57  -7.329   4.197  -9.543
  422    H    ASP  58           HN       ASP  58  -7.157   0.944  -7.022
  423    HA   ASP  58           HA       ASP  58  -9.385   0.538  -8.649
  424    HB2  ASP  58           HB2      ASP  58  -7.912  -1.292  -8.223
  425    HB3  ASP  58           HB1      ASP  58  -8.149  -1.165  -6.485
  426    H    GLN  59           HN       GLN  59  -9.162   0.947  -5.156
  427    HA   GLN  59           HA       GLN  59 -11.850   0.207  -4.602
  428    HB2  GLN  59           HB2      GLN  59 -10.091   1.957  -2.882
  429    HB3  GLN  59           HB1      GLN  59 -11.445   0.962  -2.364
  430    HG2  GLN  59           HG2      GLN  59  -8.802  -0.015  -3.416
  431    HG3  GLN  59           HG1      GLN  59  -9.357  -0.071  -1.744
  432   HE21  GLN  59          HE21      GLN  59  -8.544  -2.159  -3.695
  433   HE22  GLN  59          HE22      GLN  59  -9.850  -3.292  -3.723
  434    H    GLY  60           HN       GLY  60 -10.502   2.995  -5.946
  435    HA2  GLY  60           HA2      GLY  60 -12.159   4.589  -6.849
  436    HA3  GLY  60           HA1      GLY  60 -12.920   4.550  -5.264
  437    H    GLY  61           HN       GLY  61  -9.831   4.386  -4.452
  438    HA2  GLY  61           HA2      GLY  61  -8.162   6.241  -4.811
  439    HA3  GLY  61           HA1      GLY  61  -9.496   7.315  -4.439
  440    H    LEU  62           HN       LEU  62  -8.201   8.171  -2.740
  441    HA   LEU  62           HA       LEU  62  -7.055   6.468  -0.744
  442    HG   LEU  62           HG       LEU  62  -6.321   9.023  -2.708
  443    HB2  LEU  62           HB2      LEU  62  -7.451   9.447  -0.584
  444    HB3  LEU  62           HB1      LEU  62  -6.258   8.479   0.259
  445   HD11  LEU  62          HD11      LEU  62  -4.274  10.287  -2.272
  446   HD12  LEU  62          HD12      LEU  62  -4.462   9.988  -0.543
  447   HD13  LEU  62          HD13      LEU  62  -5.657  10.957  -1.406
  448   HD21  LEU  62          HD21      LEU  62  -4.304   7.496  -1.066
  449   HD22  LEU  62          HD22      LEU  62  -4.185   7.864  -2.788
  450   HD23  LEU  62          HD23      LEU  62  -5.456   6.791  -2.201
  451    H    GLU  63           HN       GLU  63  -9.841   8.626  -0.928
  452    HA   GLU  63           HA       GLU  63 -10.543   8.483   1.809
  453    HB2  GLU  63           HB2      GLU  63 -12.248   9.140  -0.601
  454    HB3  GLU  63           HB1      GLU  63 -12.714   9.412   1.073
  455    HG2  GLU  63           HG2      GLU  63 -10.908  10.976   1.357
  456    HG3  GLU  63           HG1      GLU  63 -10.347  10.669  -0.285
  457    H    ALA  64           HN       ALA  64 -11.057   6.369  -0.861
  458    HA   ALA  64           HA       ALA  64 -13.385   5.048   0.031
  459    HB1  ALA  64           HB1      ALA  64 -11.187   4.015  -1.753
  460    HB2  ALA  64           HB2      ALA  64 -12.597   4.936  -2.275
  461    HB3  ALA  64           HB3      ALA  64 -12.803   3.326  -1.586
  462    H    VAL  65           HN       VAL  65  -9.937   4.351   0.485
  463    HA   VAL  65           HA       VAL  65 -10.285   1.858   1.785
  464    HB   VAL  65           HB       VAL  65  -7.983   3.821   1.921
  465   HG11  VAL  65          HG11      VAL  65  -8.089   0.925   2.758
  466   HG12  VAL  65          HG12      VAL  65  -7.906   2.314   3.827
  467   HG13  VAL  65          HG13      VAL  65  -6.632   1.914   2.676
  468   HG21  VAL  65          HG21      VAL  65  -8.412   1.353   0.238
  469   HG22  VAL  65          HG22      VAL  65  -6.934   2.317   0.285
  470   HG23  VAL  65          HG23      VAL  65  -8.428   3.025  -0.330
  471    H    ARG  66           HN       ARG  66 -10.127   5.170   2.930
  472    HA   ARG  66           HA       ARG  66 -10.044   4.649   5.694
  473    HE   ARG  66           HE       ARG  66  -7.061   8.465   5.332
  474    HB2  ARG  66           HB2      ARG  66 -11.105   6.977   4.099
  475    HB3  ARG  66           HB1      ARG  66 -11.130   6.955   5.858
  476    HG2  ARG  66           HG2      ARG  66  -8.682   6.684   5.865
  477    HG3  ARG  66           HG1      ARG  66  -8.689   6.787   4.104
  478    HD2  ARG  66           HD2      ARG  66  -9.501   9.030   4.165
  479    HD3  ARG  66           HD1      ARG  66  -9.797   8.935   5.900
  480   HH11  ARG  66          HH11      ARG  66  -9.428  11.044   5.469
  481   HH12  ARG  66          HH12      ARG  66  -8.261  12.263   5.894
  482   HH21  ARG  66          HH21      ARG  66  -5.516  10.071   5.853
  483   HH22  ARG  66          HH22      ARG  66  -6.046  11.712   6.092
  484    H    GLN  67           HN       GLN  67 -12.634   4.606   3.371
  485    HA   GLN  67           HA       GLN  67 -14.767   4.596   5.278
  486    HB2  GLN  67           HB2      GLN  67 -14.738   3.712   2.391
  487    HB3  GLN  67           HB1      GLN  67 -16.174   3.932   3.378
  488    HG2  GLN  67           HG2      GLN  67 -15.766   6.290   3.540
  489    HG3  GLN  67           HG1      GLN  67 -14.229   6.116   2.693
  490   HE21  GLN  67          HE21      GLN  67 -15.308   4.133   0.843
  491   HE22  GLN  67          HE22      GLN  67 -16.287   5.010  -0.278
  492    H    GLU  68           HN       GLU  68 -12.976   2.143   3.478
  493    HA   GLU  68           HA       GLU  68 -14.554  -0.080   4.093
  494    HB2  GLU  68           HB2      GLU  68 -11.554  -0.128   3.767
  495    HB3  GLU  68           HB1      GLU  68 -12.693  -1.422   3.423
  496    HG2  GLU  68           HG2      GLU  68 -12.407   1.165   1.934
  497    HG3  GLU  68           HG1      GLU  68 -11.892  -0.424   1.388
  498    H    MET  69           HN       MET  69 -12.094   1.575   5.962
  499    HA   MET  69           HA       MET  69 -11.594  -0.407   7.893
  500    HB2  MET  69           HB2      MET  69 -11.342   2.567   7.880
  501    HB3  MET  69           HB1      MET  69 -11.132   1.682   9.387
  502    HG2  MET  69           HG2      MET  69  -9.457   0.252   8.164
  503    HG3  MET  69           HG1      MET  69  -9.542   1.433   6.859
  504    HE1  MET  69           HE1      MET  69  -6.815   1.425   7.289
  505    HE2  MET  69           HE2      MET  69  -7.072   0.375   8.681
  506    HE3  MET  69           HE3      MET  69  -6.112   1.848   8.853
  507    H    ARG  70           HN       ARG  70 -14.260   1.794   7.495
  508    HA   ARG  70           HA       ARG  70 -15.477   0.645   9.908
  509    HE   ARG  70           HE       ARG  70 -18.454   4.510   9.075
  510    HB2  ARG  70           HB2      ARG  70 -16.861   2.683  10.024
  511    HB3  ARG  70           HB1      ARG  70 -15.145   3.028  10.170
  512    HG2  ARG  70           HG2      ARG  70 -15.065   3.788   7.878
  513    HG3  ARG  70           HG1      ARG  70 -16.765   3.364   7.659
  514    HD2  ARG  70           HD2      ARG  70 -15.700   5.403   9.609
  515    HD3  ARG  70           HD1      ARG  70 -16.459   5.766   8.060
  516   HH11  ARG  70          HH11      ARG  70 -16.186   6.429  10.937
  517   HH12  ARG  70          HH12      ARG  70 -17.349   6.857  12.147
  518   HH21  ARG  70          HH21      ARG  70 -19.992   5.098  10.657
  519   HH22  ARG  70          HH22      ARG  70 -19.502   6.093  11.998
  520    H    ARG  71           HN       ARG  71 -15.347  -0.219   7.035
  521    HA   ARG  71           HA       ARG  71 -18.228  -0.635   6.718
  522    HE   ARG  71           HE       ARG  71 -17.732   0.357   1.631
  523    HB2  ARG  71           HB2      ARG  71 -17.439   1.095   5.095
  524    HB3  ARG  71           HB1      ARG  71 -16.335  -0.091   4.417
  525    HG2  ARG  71           HG2      ARG  71 -19.118  -0.988   4.540
  526    HG3  ARG  71           HG1      ARG  71 -18.857   0.421   3.513
  527    HD2  ARG  71           HD2      ARG  71 -16.910  -1.772   3.207
  528    HD3  ARG  71           HD1      ARG  71 -18.555  -2.136   2.685
  529   HH11  ARG  71          HH11      ARG  71 -17.005  -3.050   1.298
  530   HH12  ARG  71          HH12      ARG  71 -16.687  -2.948  -0.406
  531   HH21  ARG  71          HH21      ARG  71 -17.278   0.498  -0.607
  532   HH22  ARG  71          HH22      ARG  71 -16.844  -0.928  -1.491
  533    H    GLN  72           HN       GLN  72 -15.737  -1.716   4.517
  534    HA   GLN  72           HA       GLN  72 -14.835  -4.056   5.490
  535    HB2  GLN  72           HB2      GLN  72 -16.353  -5.796   4.468
  536    HB3  GLN  72           HB1      GLN  72 -16.979  -5.007   5.904
  537    HG2  GLN  72           HG2      GLN  72 -18.355  -3.554   4.438
  538    HG3  GLN  72           HG1      GLN  72 -17.791  -4.486   3.051
  539   HE21  GLN  72          HE21      GLN  72 -19.710  -4.523   5.943
  540   HE22  GLN  72          HE22      GLN  72 -20.611  -5.952   5.575
  541    H1   GLY  73           HT1      GLY  73 -11.795 -13.353  -7.677
  542    H2   GLY  73           HT2      GLY  73 -10.832 -13.603  -6.302
  543    H3   GLY  73           HT3      GLY  73 -10.488 -12.320  -7.360
  544    HA2  GLY  73           HA1      GLY  73 -12.555 -11.235  -6.791
  545    HA3  GLY  73           HA2      GLY  73 -12.952 -12.578  -5.726
  546    H    HIS  74           HN       HIS  74 -13.028 -10.272  -4.494
  547    HA   HIS  74           HA       HIS  74 -10.621 -10.344  -2.828
  548    HD1  HIS  74           HD1      HIS  74 -10.735  -8.383  -6.319
  549    HD2  HIS  74           HD2      HIS  74  -8.086  -8.275  -3.097
  550    HE1  HIS  74           HE1      HIS  74  -8.438  -8.350  -7.331
  551    HE2  HIS  74           HE2      HIS  74  -6.876  -8.595  -5.379
  552    HB2  HIS  74           HB2      HIS  74 -11.850  -7.871  -4.048
  553    HB3  HIS  74           HB1      HIS  74 -10.815  -7.804  -2.625
  554    H    MET  75           HN       MET  75 -12.989 -11.632  -2.316
  555    HA   MET  75           HA       MET  75 -14.580  -9.975  -0.540
  556    HB2  MET  75           HB2      MET  75 -14.779 -12.884  -1.322
  557    HB3  MET  75           HB1      MET  75 -15.862 -12.111  -0.173
  558    HG2  MET  75           HG2      MET  75 -16.572 -10.543  -1.916
  559    HG3  MET  75           HG1      MET  75 -15.510 -11.357  -3.064
  560    HE1  MET  75           HE1      MET  75 -19.109 -12.414  -4.233
  561    HE2  MET  75           HE2      MET  75 -17.585 -11.668  -4.718
  562    HE3  MET  75           HE3      MET  75 -18.631 -10.861  -3.550
  563    H    LEU  76           HN       LEU  76 -13.096  -9.446   1.039
  564    HA   LEU  76           HA       LEU  76 -12.757 -11.510   3.071
  565    HG   LEU  76           HG       LEU  76 -10.810 -12.181   1.029
  566    HB2  LEU  76           HB2      LEU  76 -10.555  -9.857   1.860
  567    HB3  LEU  76           HB1      LEU  76 -10.422 -10.475   3.498
  568   HD11  LEU  76          HD11      LEU  76  -8.511 -12.921   1.445
  569   HD12  LEU  76          HD12      LEU  76  -8.373 -11.740   2.749
  570   HD13  LEU  76          HD13      LEU  76  -8.589 -11.196   1.084
  571   HD21  LEU  76          HD21      LEU  76 -10.277 -12.959   3.894
  572   HD22  LEU  76          HD22      LEU  76 -10.397 -14.060   2.522
  573   HD23  LEU  76          HD23      LEU  76 -11.812 -13.147   3.046
  574    HA   PRO  77           HA       PRO  77 -14.133  -8.839   6.026
  575    HB2  PRO  77           HB2      PRO  77 -11.684  -8.170   7.513
  576    HB3  PRO  77           HB1      PRO  77 -13.115  -9.057   8.046
  577    HG2  PRO  77           HG2      PRO  77 -10.819 -10.331   7.599
  578    HG3  PRO  77           HG1      PRO  77 -12.373 -11.060   7.145
  579    HD2  PRO  77           HD2      PRO  77 -10.376  -9.615   5.412
  580    HD3  PRO  77           HD1      PRO  77 -11.225 -11.159   5.105
  581    H    ASP  78           HN       ASP  78 -11.230  -7.356   4.815
  582    HA   ASP  78           HA       ASP  78 -12.530  -4.876   4.356
  583    HB2  ASP  78           HB2      ASP  78 -11.358  -3.453   5.871
  584    HB3  ASP  78           HB1      ASP  78 -12.029  -4.763   6.836
  585    H    VAL  79           HN       VAL  79 -10.594  -3.167   3.992
  586    HA   VAL  79           HA       VAL  79  -9.293  -3.762   1.654
  587    HB   VAL  79           HB       VAL  79  -7.577  -1.971   2.780
  588   HG11  VAL  79          HG11      VAL  79 -10.191  -1.348   1.452
  589   HG12  VAL  79          HG12      VAL  79  -8.695  -1.761   0.620
  590   HG13  VAL  79          HG13      VAL  79  -8.799  -0.277   1.565
  591   HG21  VAL  79          HG21      VAL  79  -8.826  -0.418   4.085
  592   HG22  VAL  79          HG22      VAL  79  -8.996  -2.005   4.836
  593   HG23  VAL  79          HG23      VAL  79 -10.307  -1.340   3.855
  594    H    ALA  80           HN       ALA  80  -8.115  -4.308   4.935
  595    HA   ALA  80           HA       ALA  80  -5.424  -4.736   4.533
  596    HB1  ALA  80           HB1      ALA  80  -6.430  -4.774   6.728
  597    HB2  ALA  80           HB2      ALA  80  -5.521  -6.260   6.455
  598    HB3  ALA  80           HB3      ALA  80  -7.287  -6.275   6.336
  599    H    GLN  81           HN       GLN  81  -7.819  -7.342   4.640
  600    HA   GLN  81           HA       GLN  81  -5.970  -9.246   3.609
  601    HB2  GLN  81           HB2      GLN  81  -8.950  -9.394   4.079
  602    HB3  GLN  81           HB1      GLN  81  -7.972 -10.758   3.558
  603    HG2  GLN  81           HG2      GLN  81  -8.262 -10.995   5.883
  604    HG3  GLN  81           HG1      GLN  81  -6.606 -10.447   5.642
  605   HE21  GLN  81          HE21      GLN  81  -9.388  -8.362   5.388
  606   HE22  GLN  81          HE22      GLN  81  -9.068  -7.409   6.801
  607    H    ARG  82           HN       ARG  82  -8.316  -7.114   2.240
  608    HA   ARG  82           HA       ARG  82  -8.631  -8.353  -0.286
  609    HE   ARG  82           HE       ARG  82 -12.117  -6.263  -0.473
  610    HB2  ARG  82           HB2      ARG  82 -10.103  -6.562   0.630
  611    HB3  ARG  82           HB1      ARG  82  -8.795  -5.411   0.398
  612    HG2  ARG  82           HG2      ARG  82  -8.878  -5.770  -2.001
  613    HG3  ARG  82           HG1      ARG  82 -10.144  -6.981  -1.787
  614    HD2  ARG  82           HD2      ARG  82 -10.340  -4.055  -1.074
  615    HD3  ARG  82           HD1      ARG  82 -11.096  -4.839  -2.462
  616   HH11  ARG  82          HH11      ARG  82 -11.842  -2.796  -0.885
  617   HH12  ARG  82          HH12      ARG  82 -13.171  -2.430   0.182
  618   HH21  ARG  82          HH21      ARG  82 -13.844  -5.793   0.921
  619   HH22  ARG  82          HH22      ARG  82 -14.277  -4.143   1.253
  620    H    LEU  83           HN       LEU  83  -6.263  -6.209   1.078
  621    HA   LEU  83           HA       LEU  83  -4.842  -5.630  -1.314
  622    HG   LEU  83           HG       LEU  83  -4.732  -3.329  -0.376
  623    HB2  LEU  83           HB2      LEU  83  -4.652  -4.983   1.475
  624    HB3  LEU  83           HB1      LEU  83  -3.079  -5.496   0.892
  625   HD11  LEU  83          HD11      LEU  83  -2.319  -3.038   1.393
  626   HD12  LEU  83          HD12      LEU  83  -3.983  -2.730   1.895
  627   HD13  LEU  83          HD13      LEU  83  -3.245  -1.742   0.636
  628   HD21  LEU  83          HD21      LEU  83  -2.652  -2.787  -1.554
  629   HD22  LEU  83          HD22      LEU  83  -3.218  -4.413  -1.931
  630   HD23  LEU  83          HD23      LEU  83  -1.878  -4.184  -0.808
  631    H    MET  84           HN       MET  84  -4.485  -8.029   1.246
  632    HA   MET  84           HA       MET  84  -2.057  -9.172   0.623
  633    HB2  MET  84           HB2      MET  84  -4.551 -10.690   1.420
  634    HB3  MET  84           HB1      MET  84  -2.893 -11.239   1.613
  635    HG2  MET  84           HG2      MET  84  -2.476  -9.439   3.202
  636    HG3  MET  84           HG1      MET  84  -4.140  -8.882   3.006
  637    HE1  MET  84           HE1      MET  84  -4.758  -9.001   5.519
  638    HE2  MET  84           HE2      MET  84  -3.073  -9.394   5.862
  639    HE3  MET  84           HE3      MET  84  -4.368 -10.363   6.569
  640    H    GLN  85           HN       GLN  85  -5.236 -10.085  -0.633
  641    HA   GLN  85           HA       GLN  85  -4.411 -12.023  -2.459
  642    HB2  GLN  85           HB2      GLN  85  -6.776 -10.150  -2.544
  643    HB3  GLN  85           HB1      GLN  85  -6.576 -11.538  -3.602
  644    HG2  GLN  85           HG2      GLN  85  -6.727 -13.048  -1.769
  645    HG3  GLN  85           HG1      GLN  85  -6.674 -11.723  -0.605
  646   HE21  GLN  85          HE21      GLN  85  -8.695 -13.814  -1.060
  647   HE22  GLN  85          HE22      GLN  85 -10.179 -12.965  -1.340
  648    H    HIS  86           HN       HIS  86  -4.692  -8.513  -2.806
  649    HA   HIS  86           HA       HIS  86  -4.513  -8.563  -5.645
  650    HD1  HIS  86           HD1      HIS  86  -5.716  -7.324  -7.096
  651    HD2  HIS  86           HD2      HIS  86  -3.559  -4.067  -5.657
  652    HE1  HIS  86           HE1      HIS  86  -5.609  -5.684  -8.998
  653    HE2  HIS  86           HE2      HIS  86  -4.351  -3.695  -8.103
  654    HB2  HIS  86           HB2      HIS  86  -5.563  -6.730  -4.209
  655    HB3  HIS  86           HB1      HIS  86  -3.920  -6.147  -3.952
  656    H    LEU  87           HN       LEU  87  -2.143  -8.482  -3.109
  657    HA   LEU  87           HA       LEU  87  -0.024  -7.844  -4.987
  658    HG   LEU  87           HG       LEU  87   1.630  -6.399  -2.410
  659    HB2  LEU  87           HB2      LEU  87  -0.027  -8.591  -2.074
  660    HB3  LEU  87           HB1      LEU  87   1.457  -8.534  -2.999
  661   HD11  LEU  87          HD11      LEU  87   0.759  -6.032  -4.678
  662   HD12  LEU  87          HD12      LEU  87   0.349  -4.716  -3.574
  663   HD13  LEU  87          HD13      LEU  87  -0.874  -5.911  -4.014
  664   HD21  LEU  87          HD21      LEU  87  -0.086  -5.190  -1.173
  665   HD22  LEU  87          HD22      LEU  87   0.148  -6.819  -0.534
  666   HD23  LEU  87          HD23      LEU  87  -1.254  -6.462  -1.545
  667    H    ALA  88           HN       ALA  88  -1.286 -10.662  -3.270
  668    HA   ALA  88           HA       ALA  88   0.724 -12.469  -4.105
  669    HB1  ALA  88           HB1      ALA  88  -0.676 -12.902  -2.163
  670    HB2  ALA  88           HB2      ALA  88  -0.798 -14.219  -3.330
  671    HB3  ALA  88           HB3      ALA  88  -2.096 -13.032  -3.201
  672    H    GLU  89           HN       GLU  89  -2.258 -11.389  -5.586
  673    HA   GLU  89           HA       GLU  89  -2.478 -13.490  -7.473
  674    HB2  GLU  89           HB2      GLU  89  -4.080 -12.073  -8.623
  675    HB3  GLU  89           HB1      GLU  89  -4.377 -12.067  -6.893
  676    HG2  GLU  89           HG2      GLU  89  -3.312  -9.892  -6.699
  677    HG3  GLU  89           HG1      GLU  89  -2.952  -9.903  -8.423
  678    H    HIS  90           HN       HIS  90  -0.350 -10.825  -7.310
  679    HA   HIS  90           HA       HIS  90   0.130 -10.945 -10.203
  680    HD1  HIS  90           HD1      HIS  90   0.208  -8.409 -11.850
  681    HD2  HIS  90           HD2      HIS  90  -1.920  -7.908  -8.310
  682    HE1  HIS  90           HE1      HIS  90  -1.891  -7.182 -12.484
  683    HE2  HIS  90           HE2      HIS  90  -3.022  -6.663 -10.300
  684    HB2  HIS  90           HB2      HIS  90   0.688  -8.838  -8.148
  685    HB3  HIS  90           HB1      HIS  90   1.578  -8.859  -9.667
  686    H    GLY  91           HN       GLY  91   1.820 -11.184  -7.091
  687    HA2  GLY  91           HA2      GLY  91   3.535 -13.034  -7.158
  688    HA3  GLY  91           HA1      GLY  91   4.152 -12.219  -8.587
  689    H    ILE  92           HN       ILE  92   2.995 -10.155  -6.170
  690    HA   ILE  92           HA       ILE  92   5.216  -8.661  -5.718
  691    HB   ILE  92           HB       ILE  92   2.734  -9.218  -4.191
  692   HG12  ILE  92          HG12      ILE  92   2.584  -6.712  -4.411
  693   HG13  ILE  92          HG11      ILE  92   4.086  -6.784  -5.324
  694   HG21  ILE  92          HG21      ILE  92   3.335  -7.721  -2.364
  695   HG22  ILE  92          HG22      ILE  92   4.987  -7.633  -2.978
  696   HG23  ILE  92          HG23      ILE  92   4.349  -9.165  -2.380
  697   HD11  ILE  92          HD11      ILE  92   1.530  -8.162  -6.078
  698   HD12  ILE  92          HD12      ILE  92   3.034  -8.164  -7.000
  699   HD13  ILE  92          HD13      ILE  92   2.140  -6.661  -6.774
  700    H    GLN  93           HN       GLN  93   6.904  -8.595  -4.294
  701    HA   GLN  93           HA       GLN  93   7.699 -11.120  -3.115
  702    HB2  GLN  93           HB2      GLN  93   9.065  -8.432  -3.289
  703    HB3  GLN  93           HB1      GLN  93   9.753  -9.800  -2.431
  704    HG2  GLN  93           HG2      GLN  93  10.801  -9.986  -4.448
  705    HG3  GLN  93           HG1      GLN  93   9.408 -11.035  -4.701
  706   HE21  GLN  93          HE21      GLN  93   7.749 -10.346  -6.084
  707   HE22  GLN  93          HE22      GLN  93   7.972  -9.042  -7.203
  708    HA   PRO  94           HA       PRO  94   5.570  -9.950   0.607
  709    HB2  PRO  94           HB2      PRO  94   6.077 -12.221   1.997
  710    HB3  PRO  94           HB1      PRO  94   4.866 -12.131   0.712
  711    HG2  PRO  94           HG2      PRO  94   7.662 -13.193   0.616
  712    HG3  PRO  94           HG1      PRO  94   6.187 -13.858  -0.108
  713    HD2  PRO  94           HD2      PRO  94   8.022 -12.441  -1.524
  714    HD3  PRO  94           HD1      PRO  94   6.293 -12.452  -1.922
  715    H    ALA  95           HN       ALA  95   6.132  -8.987   2.486
  716    HA   ALA  95           HA       ALA  95   8.963  -9.049   3.232
  717    HB1  ALA  95           HB1      ALA  95   8.548  -6.989   4.449
  718    HB2  ALA  95           HB2      ALA  95   6.827  -7.101   4.078
  719    HB3  ALA  95           HB3      ALA  95   7.992  -6.846   2.781
  720    H    ARG  96           HN       ARG  96   6.286 -10.680   4.020
  721    HA   ARG  96           HA       ARG  96   6.305 -10.858   6.813
  722    HE   ARG  96           HE       ARG  96   1.824 -12.010   4.629
  723    HB2  ARG  96           HB2      ARG  96   5.816 -12.959   4.695
  724    HB3  ARG  96           HB1      ARG  96   5.677 -13.309   6.408
  725    HG2  ARG  96           HG2      ARG  96   3.494 -12.923   5.709
  726    HG3  ARG  96           HG1      ARG  96   3.973 -11.415   6.485
  727    HD2  ARG  96           HD2      ARG  96   4.063 -10.263   4.489
  728    HD3  ARG  96           HD1      ARG  96   4.346 -11.723   3.538
  729   HH11  ARG  96          HH11      ARG  96   3.359  -9.655   2.523
  730   HH12  ARG  96          HH12      ARG  96   1.920  -9.368   1.606
  731   HH21  ARG  96          HH21      ARG  96  -0.049 -11.628   3.435
  732   HH22  ARG  96          HH22      ARG  96  -0.033 -10.487   2.129
  733    H    ASN  97           HN       ASN  97   7.978 -12.936   4.480
  734    HA   ASN  97           HA       ASN  97  10.313 -12.962   6.268
  735    HB2  ASN  97           HB2      ASN  97  10.920 -15.146   5.296
  736    HB3  ASN  97           HB1      ASN  97   9.366 -15.219   6.110
  737   HD21  ASN  97          HD21      ASN  97  10.637 -16.819   3.932
  738   HD22  ASN  97          HD22      ASN  97   9.455 -16.841   2.664
  739    H    MET  98           HN       MET  98  12.238 -12.377   5.348
  740    HA   MET  98           HA       MET  98  12.063 -10.941   2.880
  741    HB2  MET  98           HB2      MET  98  14.457 -11.508   4.639
  742    HB3  MET  98           HB1      MET  98  14.451 -10.409   3.269
  743    HG2  MET  98           HG2      MET  98  14.243  -9.056   5.161
  744    HG3  MET  98           HG1      MET  98  12.628  -9.136   4.459
  745    HE1  MET  98           HE1      MET  98  11.792  -8.931   8.257
  746    HE2  MET  98           HE2      MET  98  11.457  -8.283   6.651
  747    HE3  MET  98           HE3      MET  98  13.056  -8.075   7.371
  748    H    ALA  99           HN       ALA  99  11.427 -12.925   1.673
  749    HA   ALA  99           HA       ALA  99  13.435 -14.883   1.082
  750    HB1  ALA  99           HB1      ALA  99  10.859 -14.258  -0.365
  751    HB2  ALA  99           HB2      ALA  99  11.056 -15.425   0.942
  752    HB3  ALA  99           HB3      ALA  99  11.860 -15.690  -0.605
  753    H    GLU 100           HN       GLU 100  11.768 -12.860  -1.313
  754    HA   GLU 100           HA       GLU 100  14.396 -12.332  -2.524
  755    HB2  GLU 100           HB2      GLU 100  12.871 -13.736  -3.912
  756    HB3  GLU 100           HB1      GLU 100  11.722 -12.402  -3.938
  757    HG2  GLU 100           HG2      GLU 100  13.436 -10.993  -5.028
  758    HG3  GLU 100           HG1      GLU 100  14.515 -12.386  -5.067
  759    H    HIS 101           HN       HIS 101  15.036 -10.316  -2.535
  760    HA   HIS 101           HA       HIS 101  13.443  -8.097  -3.221
  761    HD1  HIS 101           HD1      HIS 101  10.885  -6.957  -1.167
  762    HD2  HIS 101           HD2      HIS 101  14.640  -5.197  -0.915
  763    HE1  HIS 101           HE1      HIS 101  10.456  -4.485  -0.951
  764    HE2  HIS 101           HE2      HIS 101  12.740  -3.468  -0.639
  765    HB2  HIS 101           HB2      HIS 101  12.713  -8.639  -0.788
  766    HB3  HIS 101           HB1      HIS 101  14.292  -8.026  -0.325
  767    H    ILE 102           HN       ILE 102  15.954  -9.485  -3.733
  768    HA   ILE 102           HA       ILE 102  17.897  -7.392  -3.061
  769    HB   ILE 102           HB       ILE 102  19.614  -9.170  -2.711
  770   HG12  ILE 102          HG12      ILE 102  17.216 -11.015  -2.600
  771   HG13  ILE 102          HG11      ILE 102  18.418 -10.994  -3.884
  772   HG21  ILE 102          HG21      ILE 102  17.274  -9.204  -0.813
  773   HG22  ILE 102          HG22      ILE 102  18.600  -8.043  -0.818
  774   HG23  ILE 102          HG23      ILE 102  18.911  -9.734  -0.430
  775   HD11  ILE 102          HD11      ILE 102  18.920 -11.691  -1.000
  776   HD12  ILE 102          HD12      ILE 102  20.135 -11.657  -2.277
  777   HD13  ILE 102          HD13      ILE 102  18.815 -12.822  -2.349
  778    HA   PRO 103           HA       PRO 103  19.128  -8.139  -7.307
  779    HB2  PRO 103           HB2      PRO 103  20.994  -6.227  -7.467
  780    HB3  PRO 103           HB1      PRO 103  19.276  -5.823  -7.383
  781    HG2  PRO 103           HG2      PRO 103  21.368  -5.656  -5.272
  782    HG3  PRO 103           HG1      PRO 103  19.962  -4.615  -5.546
  783    HD2  PRO 103           HD2      PRO 103  20.157  -6.706  -3.675
  784    HD3  PRO 103           HD1      PRO 103  18.671  -5.874  -4.173
  785    HA   PRO 104           HA       PRO 104  22.424 -11.103  -6.622
  786    HB2  PRO 104           HB2      PRO 104  22.909 -10.527  -9.509
  787    HB3  PRO 104           HB1      PRO 104  22.728 -12.080  -8.684
  788    HG2  PRO 104           HG2      PRO 104  20.748 -11.091 -10.159
  789    HG3  PRO 104           HG1      PRO 104  20.414 -11.936  -8.636
  790    HD2  PRO 104           HD2      PRO 104  20.353  -9.015  -9.238
  791    HD3  PRO 104           HD1      PRO 104  19.329  -9.965  -8.142
  792    H    ALA 105           HN       ALA 105  24.198 -10.441  -5.602
  793    HA   ALA 105           HA       ALA 105  25.531  -7.992  -6.265
  794    HB1  ALA 105           HB1      ALA 105  26.308 -10.124  -4.274
  795    HB2  ALA 105           HB2      ALA 105  25.271  -8.737  -3.940
  796    HB3  ALA 105           HB3      ALA 105  26.965  -8.491  -4.364
  797    HA   PRO 106           HA       PRO 106  28.228  -9.885  -9.307
  798    HB2  PRO 106           HB2      PRO 106  29.576  -7.257  -9.104
  799    HB3  PRO 106           HB1      PRO 106  28.909  -8.072 -10.522
  800    HG2  PRO 106           HG2      PRO 106  27.693  -5.950  -9.451
  801    HG3  PRO 106           HG1      PRO 106  26.765  -7.306 -10.119
  802    HD2  PRO 106           HD2      PRO 106  27.367  -6.649  -7.260
  803    HD3  PRO 106           HD1      PRO 106  25.860  -7.245  -7.985
  804    H    ASN 107           HN       ASN 107  29.987 -11.079  -8.950
  805    HA   ASN 107           HA       ASN 107  32.079 -10.151  -7.166
  806    HB2  ASN 107           HB2      ASN 107  32.056 -12.232  -5.824
  807    HB3  ASN 107           HB1      ASN 107  30.597 -11.274  -5.607
  808   HD21  ASN 107          HD21      ASN 107  28.642 -12.035  -6.418
  809   HD22  ASN 107          HD22      ASN 107  28.427 -13.698  -6.857
  810    H    TRP 108           HN       TRP 108  33.626 -12.352  -6.967
  811    HA   TRP 108           HA       TRP 108  34.408 -12.687  -9.756
  812    HD1  TRP 108           HD1      TRP 108  36.755 -10.899 -10.089
  813    HE1  TRP 108           HE1      TRP 108  37.225  -8.595  -9.042
  814    HE3  TRP 108           HE3      TRP 108  35.638 -11.982  -5.220
  815    HZ2  TRP 108           HZ2      TRP 108  37.137  -7.399  -6.482
  816    HZ3  TRP 108           HZ3      TRP 108  35.859 -10.205  -3.531
  817    HH2  TRP 108           HH2      TRP 108  36.594  -7.962  -4.152
  818    HB2  TRP 108           HB2      TRP 108  35.936 -13.370  -7.235
  819    HB3  TRP 108           HB1      TRP 108  36.577 -13.375  -8.875
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -18.533  26.578  -2.592
    2    H2   GLY   1           HT2      GLY   1 -19.652  25.785  -1.592
    3    H3   GLY   1           HT3      GLY   1 -20.196  26.790  -2.844
    4    HA2  GLY   1           HA1      GLY   1 -20.432  24.466  -3.445
    5    HA3  GLY   1           HA2      GLY   1 -19.302  25.305  -4.499
    6    H    HIS   2           HN       HIS   2 -18.498  23.135  -4.970
    7    HA   HIS   2           HA       HIS   2 -16.192  22.570  -3.377
    8    HD1  HIS   2           HD1      HIS   2 -20.154  21.206  -4.047
    9    HD2  HIS   2           HD2      HIS   2 -17.437  18.058  -3.808
   10    HE1  HIS   2           HE1      HIS   2 -21.301  19.230  -5.100
   11    HE2  HIS   2           HE2      HIS   2 -19.585  17.383  -5.080
   12    HB2  HIS   2           HB2      HIS   2 -16.683  20.363  -2.648
   13    HB3  HIS   2           HB1      HIS   2 -18.045  21.353  -2.151
   14    H    MET   3           HN       MET   3 -14.619  21.904  -4.679
   15    HA   MET   3           HA       MET   3 -15.375  20.583  -7.197
   16    HB2  MET   3           HB2      MET   3 -13.605  21.848  -8.372
   17    HB3  MET   3           HB1      MET   3 -14.904  22.869  -7.776
   18    HG2  MET   3           HG2      MET   3 -13.496  23.528  -5.879
   19    HG3  MET   3           HG1      MET   3 -12.189  22.531  -6.518
   20    HE1  MET   3           HE1      MET   3 -10.947  26.199  -7.200
   21    HE2  MET   3           HE2      MET   3 -10.566  24.654  -6.439
   22    HE3  MET   3           HE3      MET   3 -11.886  25.641  -5.816
   23    H    SER   4           HN       SER   4 -13.765  20.287  -4.382
   24    HA   SER   4           HA       SER   4 -11.566  18.699  -5.449
   25    HG   SER   4           HG       SER   4 -10.618  20.694  -4.089
   26    HB2  SER   4           HB2      SER   4 -12.344  19.033  -2.549
   27    HB3  SER   4           HB1      SER   4 -10.772  18.578  -3.203
   28    H    GLY   5           HN       GLY   5 -13.374  17.361  -6.492
   29    HA2  GLY   5           HA2      GLY   5 -14.891  15.687  -4.657
   30    HA3  GLY   5           HA1      GLY   5 -15.036  15.715  -6.410
   31    H    PHE   6           HN       PHE   6 -12.213  15.376  -6.905
   32    HA   PHE   6           HA       PHE   6 -12.122  12.490  -6.552
   33    HD1  PHE   6           HD1      PHE   6 -11.736  10.881  -8.269
   34    HD2  PHE   6           HD2      PHE   6  -8.254  13.310  -8.566
   35    HE1  PHE   6           HE1      PHE   6 -10.398   8.894  -8.827
   36    HE2  PHE   6           HE2      PHE   6  -6.913  11.327  -9.128
   37    HZ   PHE   6           HZ       PHE   6  -7.999   9.114  -9.289
   38    HB2  PHE   6           HB2      PHE   6 -11.681  13.537  -8.768
   39    HB3  PHE   6           HB1      PHE   6 -10.253  14.309  -8.088
   40    H    LYS   7           HN       LYS   7 -11.329  11.813  -4.659
   41    HA   LYS   7           HA       LYS   7  -9.276  13.376  -3.310
   42    HB2  LYS   7           HB2      LYS   7 -11.264  12.404  -2.094
   43    HB3  LYS   7           HB1      LYS   7 -10.561  10.815  -2.365
   44    HG2  LYS   7           HG2      LYS   7 -10.055  11.617  -0.134
   45    HG3  LYS   7           HG1      LYS   7  -8.582  11.464  -1.093
   46    HD2  LYS   7           HD2      LYS   7  -8.459  13.815  -1.423
   47    HD3  LYS   7           HD1      LYS   7 -10.079  14.053  -0.767
   48    HE2  LYS   7           HE2      LYS   7  -7.720  13.017   0.797
   49    HE3  LYS   7           HE1      LYS   7  -8.284  14.687   0.815
   50    HZ1  LYS   7           HZ1      LYS   7  -9.726  12.281   1.795
   51    HZ2  LYS   7           HZ2      LYS   7 -10.471  13.793   1.588
   52    HZ3  LYS   7           HZ3      LYS   7  -9.200  13.621   2.697
   53    H    HIS   8           HN       HIS   8  -7.667  12.984  -4.874
   54    HA   HIS   8           HA       HIS   8  -5.821  10.990  -4.177
   55    HD1  HIS   8           HD1      HIS   8  -5.727   9.410  -8.442
   56    HD2  HIS   8           HD2      HIS   8  -4.658   8.569  -4.512
   57    HE1  HIS   8           HE1      HIS   8  -3.747   7.881  -8.592
   58    HE2  HIS   8           HE2      HIS   8  -2.982   7.588  -6.218
   59    HB2  HIS   8           HB2      HIS   8  -7.446   9.541  -5.400
   60    HB3  HIS   8           HB1      HIS   8  -7.210  10.529  -6.836
   61    H    VAL   9           HN       VAL   9  -5.095  13.351  -4.129
   62    HA   VAL   9           HA       VAL   9  -4.014  14.132  -6.761
   63    HB   VAL   9           HB       VAL   9  -5.171  16.097  -4.772
   64   HG11  VAL   9          HG11      VAL   9  -3.375  16.976  -6.182
   65   HG12  VAL   9          HG12      VAL   9  -4.929  17.715  -6.568
   66   HG13  VAL   9          HG13      VAL   9  -4.261  16.467  -7.620
   67   HG21  VAL   9          HG21      VAL   9  -6.966  14.745  -5.730
   68   HG22  VAL   9          HG22      VAL   9  -6.383  15.109  -7.353
   69   HG23  VAL   9          HG23      VAL   9  -7.026  16.400  -6.339
   70    H    SER  10           HN       SER  10  -3.690  13.831  -3.364
   71    HA   SER  10           HA       SER  10  -1.466  15.461  -2.857
   72    HG   SER  10           HG       SER  10  -2.723  12.271  -0.641
   73    HB2  SER  10           HB2      SER  10  -1.140  13.885  -0.903
   74    HB3  SER  10           HB1      SER  10  -2.762  14.568  -1.035
   75    H    HIS  11           HN       HIS  11  -1.700  12.748  -4.805
   76    HA   HIS  11           HA       HIS  11  -0.290  11.256  -5.741
   77    HD1  HIS  11           HD1      HIS  11   1.209  15.125  -6.136
   78    HD2  HIS  11           HD2      HIS  11   1.344  11.527  -8.217
   79    HE1  HIS  11           HE1      HIS  11   0.976  15.732  -8.567
   80    HE2  HIS  11           HE2      HIS  11   0.870  13.528  -9.782
   81    HB2  HIS  11           HB2      HIS  11   1.768  13.172  -4.666
   82    HB3  HIS  11           HB1      HIS  11   2.240  11.676  -5.466
   83    H    VAL  12           HN       VAL  12  -0.884  11.664  -2.647
   84    HA   VAL  12           HA       VAL  12  -0.804  10.406  -0.767
   85    HB   VAL  12           HB       VAL  12  -0.138   8.039  -2.467
   86   HG11  VAL  12          HG11      VAL  12  -1.731   6.918  -0.990
   87   HG12  VAL  12          HG12      VAL  12  -2.016   8.441  -0.146
   88   HG13  VAL  12          HG13      VAL  12  -0.428   7.677  -0.075
   89   HG21  VAL  12          HG21      VAL  12  -2.510   7.897  -3.101
   90   HG22  VAL  12          HG22      VAL  12  -1.734   9.338  -3.760
   91   HG23  VAL  12          HG23      VAL  12  -2.789   9.470  -2.352
   92    H    GLY  13           HN       GLY  13   1.839  11.428  -1.920
   93    HA2  GLY  13           HA2      GLY  13   4.053  11.372  -1.323
   94    HA3  GLY  13           HA1      GLY  13   3.571  10.392   0.055
   95    H    TRP  14           HN       TRP  14   2.792   9.320  -3.133
   96    HA   TRP  14           HA       TRP  14   4.602   7.051  -2.763
   97    HD1  TRP  14           HD1      TRP  14   3.603   4.186  -3.069
   98    HE1  TRP  14           HE1      TRP  14   4.152   2.537  -4.960
   99    HE3  TRP  14           HE3      TRP  14   2.799   7.267  -7.064
  100    HZ2  TRP  14           HZ2      TRP  14   4.230   2.547  -7.792
  101    HZ3  TRP  14           HZ3      TRP  14   3.129   6.371  -9.330
  102    HH2  TRP  14           HH2      TRP  14   3.829   4.060  -9.685
  103    HB2  TRP  14           HB2      TRP  14   2.234   6.529  -3.111
  104    HB3  TRP  14           HB1      TRP  14   2.244   7.423  -4.627
  105    H    ASP  15           HN       ASP  15   6.252   6.629  -4.086
  106    HA   ASP  15           HA       ASP  15   6.599   8.345  -6.455
  107    HB2  ASP  15           HB2      ASP  15   8.215   8.592  -4.442
  108    HB3  ASP  15           HB1      ASP  15   8.868   7.049  -4.978
  109    HA   PRO  16           HA       PRO  16   6.011   5.177  -9.350
  110    HB2  PRO  16           HB2      PRO  16   8.862   5.731 -10.065
  111    HB3  PRO  16           HB1      PRO  16   7.456   5.538 -11.116
  112    HG2  PRO  16           HG2      PRO  16   8.455   7.966 -10.358
  113    HG3  PRO  16           HG1      PRO  16   6.766   7.687 -10.807
  114    HD2  PRO  16           HD2      PRO  16   7.851   8.385  -8.220
  115    HD3  PRO  16           HD1      PRO  16   6.152   8.210  -8.698
  116    H    GLN  17           HN       GLN  17   9.497   4.797  -8.607
  117    HA   GLN  17           HA       GLN  17   8.966   1.914  -8.356
  118    HB2  GLN  17           HB2      GLN  17  10.496   2.537 -10.140
  119    HB3  GLN  17           HB1      GLN  17  11.544   3.353  -8.989
  120    HG2  GLN  17           HG2      GLN  17  12.027   1.240  -7.902
  121    HG3  GLN  17           HG1      GLN  17  10.916   0.407  -8.985
  122   HE21  GLN  17          HE21      GLN  17  13.042   2.968 -10.027
  123   HE22  GLN  17          HE22      GLN  17  14.088   1.974 -10.987
  124    H    ASN  18           HN       ASN  18  10.082   4.675  -6.619
  125    HA   ASN  18           HA       ASN  18  11.579   3.230  -4.663
  126    HB2  ASN  18           HB2      ASN  18  11.898   5.665  -5.250
  127    HB3  ASN  18           HB1      ASN  18  10.438   6.000  -4.326
  128   HD21  ASN  18          HD21      ASN  18  12.712   3.500  -3.453
  129   HD22  ASN  18          HD22      ASN  18  13.329   4.272  -2.031
  130    H    GLY  19           HN       GLY  19   8.255   4.297  -4.970
  131    HA2  GLY  19           HA2      GLY  19   6.533   2.945  -4.048
  132    HA3  GLY  19           HA1      GLY  19   7.623   2.489  -2.751
  133    H    PHE  20           HN       PHE  20   6.078   2.978  -1.219
  134    HA   PHE  20           HA       PHE  20   5.003   5.665  -1.026
  135    HD1  PHE  20           HD2      PHE  20   2.301   5.762  -0.530
  136    HD2  PHE  20           HD1      PHE  20   3.606   1.717  -0.734
  137    HE1  PHE  20           HE2      PHE  20   0.346   5.205  -1.914
  138    HE2  PHE  20           HE1      PHE  20   1.654   1.152  -2.123
  139    HZ   PHE  20           HZ       PHE  20  -0.038   2.882  -2.618
  140    HB2  PHE  20           HB2      PHE  20   4.674   3.206   0.702
  141    HB3  PHE  20           HB1      PHE  20   3.960   4.761   1.099
  142    H    ASP  21           HN       ASP  21   5.577   7.177   0.484
  143    HA   ASP  21           HA       ASP  21   8.089   6.934   1.821
  144    HB2  ASP  21           HB2      ASP  21   6.973   9.101   1.042
  145    HB3  ASP  21           HB1      ASP  21   5.923   8.953   2.446
  146    H    VAL  22           HN       VAL  22   7.857   5.047   3.048
  147    HA   VAL  22           HA       VAL  22   5.709   4.474   4.760
  148    HB   VAL  22           HB       VAL  22   7.275   2.782   3.933
  149   HG11  VAL  22          HG11      VAL  22   9.352   4.018   4.097
  150   HG12  VAL  22          HG12      VAL  22   9.473   2.488   4.964
  151   HG13  VAL  22          HG13      VAL  22   9.249   3.992   5.857
  152   HG21  VAL  22          HG21      VAL  22   5.899   2.316   5.908
  153   HG22  VAL  22          HG22      VAL  22   7.209   2.884   6.943
  154   HG23  VAL  22          HG23      VAL  22   7.433   1.448   5.945
  155    H    ASN  23           HN       ASN  23   8.463   6.503   5.191
  156    HA   ASN  23           HA       ASN  23   8.404   6.533   8.059
  157    HB2  ASN  23           HB2      ASN  23  10.468   7.055   6.839
  158    HB3  ASN  23           HB1      ASN  23   9.690   8.442   6.088
  159   HD21  ASN  23          HD21      ASN  23   9.409  10.306   7.250
  160   HD22  ASN  23          HD22      ASN  23  10.172  10.581   8.782
  161    H    ASN  24           HN       ASN  24   7.034   8.456   5.457
  162    HA   ASN  24           HA       ASN  24   5.542  10.019   7.466
  163    HB2  ASN  24           HB2      ASN  24   6.275  10.812   4.639
  164    HB3  ASN  24           HB1      ASN  24   5.359  11.792   5.778
  165   HD21  ASN  24          HD21      ASN  24   8.473  10.610   4.862
  166   HD22  ASN  24          HD22      ASN  24   9.397  11.639   5.920
  167    H    LEU  25           HN       LEU  25   4.658   7.529   6.776
  168    HA   LEU  25           HA       LEU  25   2.869   7.452   4.593
  169    HG   LEU  25           HG       LEU  25   4.239   5.200   4.597
  170    HB2  LEU  25           HB2      LEU  25   3.541   5.778   6.898
  171    HB3  LEU  25           HB1      LEU  25   1.866   5.642   6.401
  172   HD11  LEU  25          HD11      LEU  25   3.628   2.822   4.776
  173   HD12  LEU  25          HD12      LEU  25   2.429   3.239   6.001
  174   HD13  LEU  25          HD13      LEU  25   4.146   3.499   6.319
  175   HD21  LEU  25          HD21      LEU  25   1.300   4.688   4.207
  176   HD22  LEU  25          HD22      LEU  25   2.583   4.213   3.095
  177   HD23  LEU  25          HD23      LEU  25   2.264   5.921   3.395
  178    H    ASP  26           HN       ASP  26   0.752   7.932   4.419
  179    HA   ASP  26           HA       ASP  26  -0.550   9.691   6.165
  180    HB2  ASP  26           HB2      ASP  26  -1.237   9.340   3.806
  181    HB3  ASP  26           HB1      ASP  26  -1.797   7.723   4.222
  182    HA   PRO  27           HA       PRO  27  -1.263   7.335   9.757
  183    HB2  PRO  27           HB2      PRO  27  -3.880   8.776   9.752
  184    HB3  PRO  27           HB1      PRO  27  -2.699   8.591  11.054
  185    HG2  PRO  27           HG2      PRO  27  -2.862  10.867   9.698
  186    HG3  PRO  27           HG1      PRO  27  -1.288  10.210  10.183
  187    HD2  PRO  27           HD2      PRO  27  -2.572  10.263   7.496
  188    HD3  PRO  27           HD1      PRO  27  -0.856  10.352   7.932
  189    H    ASP  28           HN       ASP  28  -3.693   7.321   7.207
  190    HA   ASP  28           HA       ASP  28  -5.108   5.077   8.410
  191    HB2  ASP  28           HB2      ASP  28  -6.198   6.931   7.014
  192    HB3  ASP  28           HB1      ASP  28  -5.482   6.147   5.609
  193    H    LEU  29           HN       LEU  29  -3.257   5.628   5.390
  194    HA   LEU  29           HA       LEU  29  -2.947   3.018   4.563
  195    HG   LEU  29           HG       LEU  29  -2.348   3.697   2.179
  196    HB2  LEU  29           HB2      LEU  29  -1.313   5.500   4.354
  197    HB3  LEU  29           HB1      LEU  29  -0.602   3.990   3.824
  198   HD11  LEU  29          HD11      LEU  29  -4.186   4.731   3.442
  199   HD12  LEU  29          HD12      LEU  29  -4.067   5.314   1.783
  200   HD13  LEU  29          HD13      LEU  29  -3.482   6.315   3.112
  201   HD21  LEU  29          HD21      LEU  29  -1.823   5.602   0.737
  202   HD22  LEU  29          HD22      LEU  29  -0.388   5.003   1.573
  203   HD23  LEU  29          HD23      LEU  29  -1.192   6.468   2.139
  204    H    ARG  30           HN       ARG  30  -0.999   4.846   6.871
  205    HA   ARG  30           HA       ARG  30   0.956   2.931   7.450
  206    HE   ARG  30           HE       ARG  30   3.295   3.261  11.490
  207    HB2  ARG  30           HB2      ARG  30   1.121   5.256   8.177
  208    HB3  ARG  30           HB1      ARG  30  -0.280   5.060   9.213
  209    HG2  ARG  30           HG2      ARG  30   1.588   5.016  10.628
  210    HG3  ARG  30           HG1      ARG  30   1.048   3.344  10.487
  211    HD2  ARG  30           HD2      ARG  30   2.796   2.919   8.831
  212    HD3  ARG  30           HD1      ARG  30   3.330   4.597   8.961
  213   HH11  ARG  30          HH11      ARG  30   5.217   3.778   8.596
  214   HH12  ARG  30          HH12      ARG  30   6.722   3.393   9.377
  215   HH21  ARG  30          HH21      ARG  30   5.277   2.771  12.507
  216   HH22  ARG  30          HH22      ARG  30   6.752   2.813  11.590
  217    H    SER  31           HN       SER  31  -2.360   3.116   8.353
  218    HA   SER  31           HA       SER  31  -2.102   1.185  10.513
  219    HG   SER  31           HG       SER  31  -3.830   1.020  11.719
  220    HB2  SER  31           HB2      SER  31  -3.708   3.241  10.445
  221    HB3  SER  31           HB1      SER  31  -4.691   2.244   9.383
  222    H    LEU  32           HN       LEU  32  -3.491   1.467   7.281
  223    HA   LEU  32           HA       LEU  32  -4.864  -1.001   7.302
  224    HG   LEU  32           HG       LEU  32  -6.368  -0.054   4.240
  225    HB2  LEU  32           HB2      LEU  32  -5.324   1.030   5.900
  226    HB3  LEU  32           HB1      LEU  32  -3.939   0.592   4.925
  227   HD11  LEU  32          HD11      LEU  32  -5.500  -1.971   2.980
  228   HD12  LEU  32          HD12      LEU  32  -4.031  -1.914   3.959
  229   HD13  LEU  32          HD13      LEU  32  -4.439  -0.564   2.898
  230   HD21  LEU  32          HD21      LEU  32  -5.575  -2.393   5.958
  231   HD22  LEU  32          HD22      LEU  32  -6.983  -2.314   4.898
  232   HD23  LEU  32          HD23      LEU  32  -6.880  -1.259   6.308
  233    H    PHE  33           HN       PHE  33  -1.915   0.007   5.653
  234    HA   PHE  33           HA       PHE  33  -1.445  -2.353   4.274
  235    HD1  PHE  33           HD2      PHE  33  -1.997  -1.206   2.871
  236    HD2  PHE  33           HD1      PHE  33   1.247   1.435   3.728
  237    HE1  PHE  33           HE2      PHE  33  -2.783   0.335   1.128
  238    HE2  PHE  33           HE1      PHE  33   0.456   2.963   1.984
  239    HZ   PHE  33           HZ       PHE  33  -1.480   2.433   0.663
  240    HB2  PHE  33           HB2      PHE  33   0.570  -0.347   5.291
  241    HB3  PHE  33           HB1      PHE  33   0.898  -1.577   4.076
  242    H    SER  34           HN       SER  34  -0.490  -1.453   7.526
  243    HA   SER  34           HA       SER  34   1.158  -3.662   8.068
  244    HG   SER  34           HG       SER  34   1.370  -3.977  10.416
  245    HB2  SER  34           HB2      SER  34   1.188  -1.714   9.478
  246    HB3  SER  34           HB1      SER  34  -0.510  -1.934   9.896
  247    H    ARG  35           HN       ARG  35  -2.316  -3.215   8.133
  248    HA   ARG  35           HA       ARG  35  -2.919  -5.686   9.442
  249    HE   ARG  35           HE       ARG  35  -7.242  -3.735   8.739
  250    HB2  ARG  35           HB2      ARG  35  -4.583  -3.788   7.793
  251    HB3  ARG  35           HB1      ARG  35  -5.234  -5.240   8.543
  252    HG2  ARG  35           HG2      ARG  35  -5.008  -4.417  10.662
  253    HG3  ARG  35           HG1      ARG  35  -3.753  -3.270  10.199
  254    HD2  ARG  35           HD2      ARG  35  -5.752  -2.034  10.645
  255    HD3  ARG  35           HD1      ARG  35  -5.489  -2.026   8.903
  256   HH11  ARG  35          HH11      ARG  35  -7.043  -1.855  11.688
  257   HH12  ARG  35          HH12      ARG  35  -8.715  -2.085  12.101
  258   HH21  ARG  35          HH21      ARG  35  -9.472  -4.024   9.275
  259   HH22  ARG  35          HH22      ARG  35 -10.074  -3.316  10.751
  260    H    ALA  36           HN       ALA  36  -2.248  -4.664   6.218
  261    HA   ALA  36           HA       ALA  36  -3.507  -6.932   4.955
  262    HB1  ALA  36           HB1      ALA  36  -2.900  -5.911   2.886
  263    HB2  ALA  36           HB2      ALA  36  -1.688  -4.901   3.674
  264    HB3  ALA  36           HB3      ALA  36  -3.400  -4.616   3.974
  265    H    GLY  37           HN       GLY  37  -0.481  -6.285   6.380
  266    HA2  GLY  37           HA2      GLY  37   1.020  -8.163   6.741
  267    HA3  GLY  37           HA1      GLY  37   0.616  -8.725   5.127
  268    H    ILE  38           HN       ILE  38   0.825  -5.605   4.628
  269    HA   ILE  38           HA       ILE  38   3.353  -5.785   3.338
  270    HB   ILE  38           HB       ILE  38   1.795  -3.252   3.800
  271   HG12  ILE  38          HG12      ILE  38   1.331  -5.108   1.480
  272   HG13  ILE  38          HG11      ILE  38   0.408  -5.272   2.969
  273   HG21  ILE  38          HG21      ILE  38   3.557  -4.205   1.547
  274   HG22  ILE  38          HG22      ILE  38   3.993  -3.022   2.780
  275   HG23  ILE  38          HG23      ILE  38   2.723  -2.653   1.612
  276   HD11  ILE  38          HD11      ILE  38  -0.807  -3.979   1.329
  277   HD12  ILE  38          HD12      ILE  38   0.532  -2.836   1.217
  278   HD13  ILE  38          HD13      ILE  38  -0.382  -2.977   2.717
  279    H    SER  39           HN       SER  39   5.251  -5.548   4.322
  280    HA   SER  39           HA       SER  39   5.471  -3.817   6.660
  281    HG   SER  39           HG       SER  39   8.091  -5.241   7.901
  282    HB2  SER  39           HB2      SER  39   6.489  -6.045   6.800
  283    HB3  SER  39           HB1      SER  39   7.498  -5.666   5.409
  284    H    GLU  40           HN       GLU  40   7.762  -2.629   6.655
  285    HA   GLU  40           HA       GLU  40   7.549  -0.411   5.044
  286    HB2  GLU  40           HB2      GLU  40  10.066  -1.602   6.192
  287    HB3  GLU  40           HB1      GLU  40   9.936   0.023   5.547
  288    HG2  GLU  40           HG2      GLU  40   8.211   0.462   7.319
  289    HG3  GLU  40           HG1      GLU  40   8.668  -1.093   8.023
  290    H    ALA  41           HN       ALA  41   9.733  -3.159   4.578
  291    HA   ALA  41           HA       ALA  41  11.117  -2.210   2.361
  292    HB1  ALA  41           HB1      ALA  41  11.803  -4.528   2.006
  293    HB2  ALA  41           HB2      ALA  41  10.535  -5.074   3.105
  294    HB3  ALA  41           HB3      ALA  41  11.868  -4.092   3.712
  295    H    GLN  42           HN       GLN  42   7.979  -3.583   2.573
  296    HA   GLN  42           HA       GLN  42   7.912  -4.418  -0.205
  297    HB2  GLN  42           HB2      GLN  42   5.770  -4.440   1.928
  298    HB3  GLN  42           HB1      GLN  42   5.579  -5.099   0.307
  299    HG2  GLN  42           HG2      GLN  42   7.342  -6.704   0.729
  300    HG3  GLN  42           HG1      GLN  42   7.593  -6.027   2.338
  301   HE21  GLN  42          HE21      GLN  42   5.563  -7.964   0.325
  302   HE22  GLN  42          HE22      GLN  42   4.562  -8.612   1.589
  303    H    LEU  43           HN       LEU  43   6.802  -1.796   1.810
  304    HA   LEU  43           HA       LEU  43   5.189  -0.572  -0.203
  305    HG   LEU  43           HG       LEU  43   4.611  -1.099   2.694
  306    HB2  LEU  43           HB2      LEU  43   6.446   0.546   2.301
  307    HB3  LEU  43           HB1      LEU  43   5.360   1.447   1.258
  308   HD11  LEU  43          HD11      LEU  43   5.020   0.694   4.284
  309   HD12  LEU  43          HD12      LEU  43   3.296   0.345   4.163
  310   HD13  LEU  43          HD13      LEU  43   3.966   1.767   3.363
  311   HD21  LEU  43          HD21      LEU  43   2.326  -0.442   2.072
  312   HD22  LEU  43          HD22      LEU  43   3.342  -0.740   0.661
  313   HD23  LEU  43          HD23      LEU  43   2.979   0.914   1.153
  314    H    THR  44           HN       THR  44   8.537  -0.781   0.435
  315    HA   THR  44           HA       THR  44   9.117   1.396  -1.444
  316    HB   THR  44           HB       THR  44  11.490   1.101  -0.708
  317    HG1  THR  44           HG1      THR  44  10.852  -1.160   0.137
  318   HG21  THR  44          HG21      THR  44   9.499   1.651   1.500
  319   HG22  THR  44          HG22      THR  44  10.060   2.816   0.301
  320   HG23  THR  44          HG23      THR  44  11.188   2.156   1.485
  321    H    ASP  45           HN       ASP  45   8.296  -1.642  -1.755
  322    HA   ASP  45           HA       ASP  45  10.377  -2.482  -3.610
  323    HB2  ASP  45           HB2      ASP  45   9.350  -4.189  -2.155
  324    HB3  ASP  45           HB1      ASP  45   7.779  -3.832  -2.851
  325    H    ALA  46           HN       ALA  46  10.017  -2.779  -5.859
  326    HA   ALA  46           HA       ALA  46   8.661  -0.624  -7.012
  327    HB1  ALA  46           HB1      ALA  46   9.325  -1.478  -9.129
  328    HB2  ALA  46           HB2      ALA  46   9.547  -3.101  -8.468
  329    HB3  ALA  46           HB3      ALA  46  10.628  -1.792  -7.982
  330    H    GLU  47           HN       GLU  47   7.882  -4.085  -7.663
  331    HA   GLU  47           HA       GLU  47   5.423  -3.298  -8.889
  332    HB2  GLU  47           HB2      GLU  47   5.179  -5.472  -9.568
  333    HB3  GLU  47           HB1      GLU  47   6.911  -5.437  -9.296
  334    HG2  GLU  47           HG2      GLU  47   6.577  -6.490  -7.099
  335    HG3  GLU  47           HG1      GLU  47   4.843  -6.533  -7.400
  336    H    THR  48           HN       THR  48   6.349  -4.508  -5.745
  337    HA   THR  48           HA       THR  48   3.810  -5.172  -4.786
  338    HB   THR  48           HB       THR  48   6.165  -4.107  -3.204
  339    HG1  THR  48           HG1      THR  48   6.863  -5.923  -4.244
  340   HG21  THR  48          HG21      THR  48   3.726  -5.699  -2.382
  341   HG22  THR  48          HG22      THR  48   4.155  -4.067  -1.867
  342   HG23  THR  48          HG23      THR  48   5.141  -5.439  -1.360
  343    H    SER  49           HN       SER  49   5.616  -2.107  -4.553
  344    HA   SER  49           HA       SER  49   3.633  -0.814  -2.995
  345    HG   SER  49           HG       SER  49   5.385   1.662  -2.401
  346    HB2  SER  49           HB2      SER  49   6.051  -0.160  -3.125
  347    HB3  SER  49           HB1      SER  49   5.732   0.493  -4.731
  348    H    LYS  50           HN       LYS  50   4.369  -0.781  -6.477
  349    HA   LYS  50           HA       LYS  50   2.477   1.232  -7.085
  350    HB2  LYS  50           HB2      LYS  50   4.371   0.686  -8.569
  351    HB3  LYS  50           HB1      LYS  50   3.626  -0.866  -8.933
  352    HG2  LYS  50           HG2      LYS  50   1.860   0.132 -10.111
  353    HG3  LYS  50           HG1      LYS  50   2.210   1.730  -9.447
  354    HD2  LYS  50           HD2      LYS  50   4.316   1.780 -10.700
  355    HD3  LYS  50           HD1      LYS  50   3.956   0.187 -11.363
  356    HE2  LYS  50           HE2      LYS  50   2.023   1.037 -12.504
  357    HE3  LYS  50           HE1      LYS  50   2.210   2.607 -11.729
  358    HZ1  LYS  50           HZ1      LYS  50   3.043   2.453 -14.070
  359    HZ2  LYS  50           HZ2      LYS  50   4.278   1.441 -13.500
  360    HZ3  LYS  50           HZ3      LYS  50   4.164   3.039 -12.941
  361    H    LEU  51           HN       LEU  51   2.235  -2.260  -6.826
  362    HA   LEU  51           HA       LEU  51  -0.387  -2.344  -7.972
  363    HG   LEU  51           HG       LEU  51   1.851  -4.030  -8.802
  364    HB2  LEU  51           HB2      LEU  51   1.237  -4.336  -6.414
  365    HB3  LEU  51           HB1      LEU  51  -0.416  -4.665  -6.906
  366   HD11  LEU  51          HD11      LEU  51   0.554  -6.637  -8.047
  367   HD12  LEU  51          HD12      LEU  51   2.244  -6.177  -7.830
  368   HD13  LEU  51          HD13      LEU  51   1.597  -6.418  -9.454
  369   HD21  LEU  51          HD21      LEU  51  -0.973  -4.944  -9.312
  370   HD22  LEU  51          HD22      LEU  51   0.281  -4.738 -10.535
  371   HD23  LEU  51          HD23      LEU  51  -0.328  -3.339  -9.648
  372    H    ILE  52           HN       ILE  52   0.901  -1.973  -4.700
  373    HA   ILE  52           HA       ILE  52  -1.608  -2.075  -3.381
  374    HB   ILE  52           HB       ILE  52   0.886  -0.537  -2.647
  375   HG12  ILE  52          HG12      ILE  52  -0.144  -3.205  -1.671
  376   HG13  ILE  52          HG11      ILE  52   1.207  -2.975  -2.781
  377   HG21  ILE  52          HG21      ILE  52  -0.071  -0.476  -0.378
  378   HG22  ILE  52          HG22      ILE  52  -1.560  -1.181  -1.007
  379   HG23  ILE  52          HG23      ILE  52  -1.043   0.417  -1.549
  380   HD11  ILE  52          HD11      ILE  52   1.033  -2.153   0.102
  381   HD12  ILE  52          HD12      ILE  52   2.337  -1.665  -0.984
  382   HD13  ILE  52          HD13      ILE  52   2.091  -3.372  -0.614
  383    H    TYR  53           HN       TYR  53   0.290   0.571  -4.763
  384    HA   TYR  53           HA       TYR  53  -1.460   2.665  -4.137
  385    HD1  TYR  53           HD2      TYR  53  -0.856   4.974  -4.151
  386    HD2  TYR  53           HD1      TYR  53   0.237   3.944  -8.138
  387    HE1  TYR  53           HE2      TYR  53  -1.445   7.239  -4.887
  388    HE2  TYR  53           HE1      TYR  53  -0.358   6.215  -8.883
  389    HH   TYR  53           HH       TYR  53  -1.065   8.759  -6.615
  390    HB2  TYR  53           HB2      TYR  53   0.850   2.996  -4.881
  391    HB3  TYR  53           HB1      TYR  53   0.443   2.359  -6.468
  392    H    ASP  54           HN       ASP  54  -1.264   0.530  -6.938
  393    HA   ASP  54           HA       ASP  54  -3.436   1.634  -8.389
  394    HB2  ASP  54           HB2      ASP  54  -1.566   0.014  -9.169
  395    HB3  ASP  54           HB1      ASP  54  -2.593  -1.258  -8.519
  396    H    PHE  55           HN       PHE  55  -3.146  -0.650  -5.815
  397    HA   PHE  55           HA       PHE  55  -5.694  -1.841  -5.863
  398    HD1  PHE  55           HD1      PHE  55  -6.110  -4.119  -3.830
  399    HD2  PHE  55           HD2      PHE  55  -4.765  -0.595  -1.837
  400    HE1  PHE  55           HE1      PHE  55  -7.575  -4.629  -1.924
  401    HE2  PHE  55           HE2      PHE  55  -6.231  -1.112   0.066
  402    HZ   PHE  55           HZ       PHE  55  -7.610  -3.204   0.032
  403    HB2  PHE  55           HB2      PHE  55  -4.082  -2.911  -4.532
  404    HB3  PHE  55           HB1      PHE  55  -3.601  -1.415  -3.746
  405    H    ILE  56           HN       ILE  56  -4.435   0.968  -4.114
  406    HA   ILE  56           HA       ILE  56  -6.804   1.615  -2.753
  407    HB   ILE  56           HB       ILE  56  -4.602   3.487  -3.638
  408   HG12  ILE  56          HG12      ILE  56  -4.904   1.888  -1.086
  409   HG13  ILE  56          HG11      ILE  56  -3.798   1.494  -2.396
  410   HG21  ILE  56          HG21      ILE  56  -5.294   4.826  -1.701
  411   HG22  ILE  56          HG22      ILE  56  -6.609   3.693  -1.390
  412   HG23  ILE  56          HG23      ILE  56  -6.605   4.657  -2.868
  413   HD11  ILE  56          HD11      ILE  56  -3.726   3.970  -0.702
  414   HD12  ILE  56          HD12      ILE  56  -2.616   3.590  -2.018
  415   HD13  ILE  56          HD13      ILE  56  -2.651   2.580  -0.573
  416    H    GLU  57           HN       GLU  57  -5.557   2.472  -5.908
  417    HA   GLU  57           HA       GLU  57  -7.627   4.261  -6.655
  418    HB2  GLU  57           HB2      GLU  57  -5.552   2.673  -8.125
  419    HB3  GLU  57           HB1      GLU  57  -6.792   3.533  -9.016
  420    HG2  GLU  57           HG2      GLU  57  -6.092   5.608  -7.787
  421    HG3  GLU  57           HG1      GLU  57  -4.736   4.679  -7.151
  422    H    ASP  58           HN       ASP  58  -7.064   0.835  -7.313
  423    HA   ASP  58           HA       ASP  58  -9.314   0.157  -8.753
  424    HB2  ASP  58           HB2      ASP  58  -7.538  -1.424  -8.404
  425    HB3  ASP  58           HB1      ASP  58  -7.799  -1.417  -6.667
  426    H    GLN  59           HN       GLN  59  -9.022   0.610  -5.274
  427    HA   GLN  59           HA       GLN  59 -11.648  -0.356  -4.672
  428    HB2  GLN  59           HB2      GLN  59  -9.444   0.939  -3.164
  429    HB3  GLN  59           HB1      GLN  59 -11.056   1.061  -2.482
  430    HG2  GLN  59           HG2      GLN  59  -9.371  -0.939  -1.937
  431    HG3  GLN  59           HG1      GLN  59 -11.122  -1.108  -1.896
  432   HE21  GLN  59          HE21      GLN  59  -8.233  -1.724  -3.761
  433   HE22  GLN  59          HE22      GLN  59  -8.912  -2.950  -4.775
  434    H    GLY  60           HN       GLY  60 -10.525   2.533  -6.020
  435    HA2  GLY  60           HA2      GLY  60 -12.364   3.929  -6.906
  436    HA3  GLY  60           HA1      GLY  60 -13.071   3.856  -5.302
  437    H    GLY  61           HN       GLY  61  -9.961   4.113  -4.553
  438    HA2  GLY  61           HA2      GLY  61  -8.590   6.197  -5.039
  439    HA3  GLY  61           HA1      GLY  61 -10.059   7.061  -4.614
  440    H    LEU  62           HN       LEU  62  -8.454   8.052  -3.056
  441    HA   LEU  62           HA       LEU  62  -7.269   6.472  -1.039
  442    HG   LEU  62           HG       LEU  62  -6.246   8.793  -2.799
  443    HB2  LEU  62           HB2      LEU  62  -7.888   9.419  -1.098
  444    HB3  LEU  62           HB1      LEU  62  -6.920   8.640   0.139
  445   HD11  LEU  62          HD11      LEU  62  -4.416  10.232  -2.060
  446   HD12  LEU  62          HD12      LEU  62  -5.001  10.134  -0.399
  447   HD13  LEU  62          HD13      LEU  62  -5.983  10.920  -1.637
  448   HD21  LEU  62          HD21      LEU  62  -5.489   6.697  -1.779
  449   HD22  LEU  62          HD22      LEU  62  -4.674   7.611  -0.510
  450   HD23  LEU  62          HD23      LEU  62  -4.133   7.750  -2.184
  451    H    GLU  63           HN       GLU  63 -10.220   8.467  -1.007
  452    HA   GLU  63           HA       GLU  63 -10.832   8.081   1.696
  453    HB2  GLU  63           HB2      GLU  63 -12.662   8.640  -0.639
  454    HB3  GLU  63           HB1      GLU  63 -13.183   8.657   1.039
  455    HG2  GLU  63           HG2      GLU  63 -11.145  10.459  -0.234
  456    HG3  GLU  63           HG1      GLU  63 -12.772  10.898   0.285
  457    H    ALA  64           HN       ALA  64 -11.369   6.037  -1.080
  458    HA   ALA  64           HA       ALA  64 -13.510   4.503  -0.098
  459    HB1  ALA  64           HB1      ALA  64 -11.341   3.669  -2.016
  460    HB2  ALA  64           HB2      ALA  64 -12.822   4.526  -2.447
  461    HB3  ALA  64           HB3      ALA  64 -12.906   2.885  -1.804
  462    H    VAL  65           HN       VAL  65 -10.008   4.067   0.168
  463    HA   VAL  65           HA       VAL  65 -10.150   1.571   1.548
  464    HB   VAL  65           HB       VAL  65  -7.905   3.604   1.458
  465   HG11  VAL  65          HG11      VAL  65  -7.655   2.077   3.337
  466   HG12  VAL  65          HG12      VAL  65  -6.446   1.750   2.096
  467   HG13  VAL  65          HG13      VAL  65  -7.853   0.697   2.256
  468   HG21  VAL  65          HG21      VAL  65  -8.379   1.134  -0.206
  469   HG22  VAL  65          HG22      VAL  65  -6.961   2.180  -0.285
  470   HG23  VAL  65          HG23      VAL  65  -8.544   2.802  -0.753
  471    H    ARG  66           HN       ARG  66  -9.854   4.938   2.490
  472    HA   ARG  66           HA       ARG  66  -9.558   4.499   5.271
  473    HE   ARG  66           HE       ARG  66  -7.495   8.351   5.744
  474    HB2  ARG  66           HB2      ARG  66 -10.649   6.948   3.882
  475    HB3  ARG  66           HB1      ARG  66  -9.942   6.879   5.492
  476    HG2  ARG  66           HG2      ARG  66  -7.787   6.299   4.542
  477    HG3  ARG  66           HG1      ARG  66  -8.484   6.302   2.923
  478    HD2  ARG  66           HD2      ARG  66  -7.382   8.378   3.196
  479    HD3  ARG  66           HD1      ARG  66  -9.112   8.705   3.319
  480   HH11  ARG  66          HH11      ARG  66  -9.547  10.335   3.708
  481   HH12  ARG  66          HH12      ARG  66  -9.722  11.585   4.905
  482   HH21  ARG  66          HH21      ARG  66  -7.699  10.020   7.296
  483   HH22  ARG  66          HH22      ARG  66  -8.631  11.435   6.914
  484    H    GLN  67           HN       GLN  67 -12.274   4.562   3.138
  485    HA   GLN  67           HA       GLN  67 -14.296   4.842   5.131
  486    HB2  GLN  67           HB2      GLN  67 -14.361   3.748   2.328
  487    HB3  GLN  67           HB1      GLN  67 -15.778   3.826   3.361
  488    HG2  GLN  67           HG2      GLN  67 -15.629   6.224   3.464
  489    HG3  GLN  67           HG1      GLN  67 -14.130   6.199   2.534
  490   HE21  GLN  67          HE21      GLN  67 -16.687   7.494   1.953
  491   HE22  GLN  67          HE22      GLN  67 -17.199   6.881   0.415
  492    H    GLU  68           HN       GLU  68 -12.750   2.081   3.524
  493    HA   GLU  68           HA       GLU  68 -14.382   0.114   4.699
  494    HB2  GLU  68           HB2      GLU  68 -11.579  -0.111   3.614
  495    HB3  GLU  68           HB1      GLU  68 -12.593  -1.481   4.059
  496    HG2  GLU  68           HG2      GLU  68 -14.301  -0.416   2.442
  497    HG3  GLU  68           HG1      GLU  68 -12.896   0.451   1.821
  498    H    MET  69           HN       MET  69 -11.681   1.870   5.907
  499    HA   MET  69           HA       MET  69 -10.953   0.342   8.110
  500    HB2  MET  69           HB2      MET  69 -11.064   3.279   7.561
  501    HB3  MET  69           HB1      MET  69 -10.700   2.727   9.189
  502    HG2  MET  69           HG2      MET  69  -9.180   1.832   6.762
  503    HG3  MET  69           HG1      MET  69  -8.727   3.223   7.746
  504    HE1  MET  69           HE1      MET  69  -6.727   0.892   7.195
  505    HE2  MET  69           HE2      MET  69  -6.053   0.606   8.801
  506    HE3  MET  69           HE3      MET  69  -6.344   2.254   8.247
  507    H    ARG  70           HN       ARG  70 -13.837   2.144   7.471
  508    HA   ARG  70           HA       ARG  70 -14.837   1.615  10.193
  509    HE   ARG  70           HE       ARG  70 -16.328   5.926   9.559
  510    HB2  ARG  70           HB2      ARG  70 -15.579   3.788   8.227
  511    HB3  ARG  70           HB1      ARG  70 -16.359   3.533   9.782
  512    HG2  ARG  70           HG2      ARG  70 -14.658   4.443  10.943
  513    HG3  ARG  70           HG1      ARG  70 -13.430   3.799   9.851
  514    HD2  ARG  70           HD2      ARG  70 -13.516   6.238   9.765
  515    HD3  ARG  70           HD1      ARG  70 -13.954   5.520   8.217
  516   HH11  ARG  70          HH11      ARG  70 -13.672   7.907   8.402
  517   HH12  ARG  70          HH12      ARG  70 -14.662   9.327   8.192
  518   HH21  ARG  70          HH21      ARG  70 -17.621   7.746   9.264
  519   HH22  ARG  70          HH22      ARG  70 -16.926   9.227   8.674
  520    H    ARG  71           HN       ARG  71 -15.102   0.891   6.932
  521    HA   ARG  71           HA       ARG  71 -17.857   0.266   6.680
  522    HE   ARG  71           HE       ARG  71 -18.615  -2.372   2.204
  523    HB2  ARG  71           HB2      ARG  71 -16.411   0.607   4.736
  524    HB3  ARG  71           HB1      ARG  71 -15.464  -0.805   5.192
  525    HG2  ARG  71           HG2      ARG  71 -17.442  -2.218   4.893
  526    HG3  ARG  71           HG1      ARG  71 -18.358  -0.793   4.397
  527    HD2  ARG  71           HD2      ARG  71 -17.001  -0.514   2.447
  528    HD3  ARG  71           HD1      ARG  71 -15.845  -1.720   3.013
  529   HH11  ARG  71          HH11      ARG  71 -15.171  -3.081   2.275
  530   HH12  ARG  71          HH12      ARG  71 -15.342  -4.587   1.434
  531   HH21  ARG  71          HH21      ARG  71 -18.819  -4.358   1.077
  532   HH22  ARG  71          HH22      ARG  71 -17.402  -5.306   0.742
  533    H    GLN  72           HN       GLN  72 -15.089  -1.928   6.796
  534    HA   GLN  72           HA       GLN  72 -14.808  -4.029   7.596
  535    HB2  GLN  72           HB2      GLN  72 -17.042  -3.186   9.449
  536    HB3  GLN  72           HB1      GLN  72 -16.217  -4.731   9.579
  537    HG2  GLN  72           HG2      GLN  72 -14.833  -2.065   9.740
  538    HG3  GLN  72           HG1      GLN  72 -15.396  -2.979  11.140
  539   HE21  GLN  72          HE21      GLN  72 -13.071  -2.808   8.570
  540   HE22  GLN  72          HE22      GLN  72 -12.008  -4.036   9.166
  541    H1   GLY  73           HT1      GLY  73 -11.874 -16.953   3.000
  542    H2   GLY  73           HT2      GLY  73 -10.901 -17.189   1.630
  543    H3   GLY  73           HT3      GLY  73 -12.479 -17.803   1.665
  544    HA2  GLY  73           HA1      GLY  73 -12.277 -15.783   0.305
  545    HA3  GLY  73           HA2      GLY  73 -13.420 -15.627   1.633
  546    H    HIS  74           HN       HIS  74 -13.131 -14.058   3.089
  547    HA   HIS  74           HA       HIS  74 -10.506 -12.729   3.177
  548    HD1  HIS  74           HD1      HIS  74 -13.707 -12.002   0.788
  549    HD2  HIS  74           HD2      HIS  74 -10.172  -9.859   1.381
  550    HE1  HIS  74           HE1      HIS  74 -13.009 -11.188  -1.487
  551    HE2  HIS  74           HE2      HIS  74 -10.809 -10.024  -1.129
  552    HB2  HIS  74           HB2      HIS  74 -13.228 -11.403   3.257
  553    HB3  HIS  74           HB1      HIS  74 -11.717 -10.581   3.624
  554    H    MET  75           HN       MET  75  -9.803 -13.691   5.021
  555    HA   MET  75           HA       MET  75 -11.317 -14.145   7.334
  556    HB2  MET  75           HB2      MET  75  -9.073 -15.137   6.811
  557    HB3  MET  75           HB1      MET  75  -8.354 -13.583   7.201
  558    HG2  MET  75           HG2      MET  75  -9.107 -13.755   9.479
  559    HG3  MET  75           HG1      MET  75  -9.969 -15.250   9.112
  560    HE1  MET  75           HE1      MET  75  -7.064 -16.575  11.335
  561    HE2  MET  75           HE2      MET  75  -8.803 -16.594  11.043
  562    HE3  MET  75           HE3      MET  75  -8.007 -15.098  11.533
  563    H    LEU  76           HN       LEU  76  -9.684 -11.375   6.133
  564    HA   LEU  76           HA       LEU  76 -10.710  -9.780   8.377
  565    HG   LEU  76           HG       LEU  76  -7.717 -10.556   8.167
  566    HB2  LEU  76           HB2      LEU  76  -8.560  -9.160   6.346
  567    HB3  LEU  76           HB1      LEU  76  -9.176  -7.995   7.503
  568   HD11  LEU  76          HD11      LEU  76  -6.874  -7.681   8.463
  569   HD12  LEU  76          HD12      LEU  76  -6.291  -8.799   7.230
  570   HD13  LEU  76          HD13      LEU  76  -5.939  -9.101   8.932
  571   HD21  LEU  76          HD21      LEU  76  -8.744  -8.384   9.992
  572   HD22  LEU  76          HD22      LEU  76  -7.783  -9.782  10.476
  573   HD23  LEU  76          HD23      LEU  76  -9.413 -10.009   9.844
  574    HA   PRO  77           HA       PRO  77 -13.848  -8.701   5.600
  575    HB2  PRO  77           HB2      PRO  77 -15.116  -6.817   7.005
  576    HB3  PRO  77           HB1      PRO  77 -15.016  -8.485   7.583
  577    HG2  PRO  77           HG2      PRO  77 -13.437  -6.091   8.417
  578    HG3  PRO  77           HG1      PRO  77 -14.093  -7.403   9.410
  579    HD2  PRO  77           HD2      PRO  77 -11.460  -7.223   8.533
  580    HD3  PRO  77           HD1      PRO  77 -12.262  -8.717   9.067
  581    H    ASP  78           HN       ASP  78 -11.474  -6.386   6.342
  582    HA   ASP  78           HA       ASP  78 -12.691  -4.396   4.578
  583    HB2  ASP  78           HB2      ASP  78 -11.231  -2.753   5.673
  584    HB3  ASP  78           HB1      ASP  78 -12.233  -3.602   6.843
  585    H    VAL  79           HN       VAL  79 -10.572  -2.873   3.991
  586    HA   VAL  79           HA       VAL  79  -9.467  -3.844   1.693
  587    HB   VAL  79           HB       VAL  79  -7.514  -2.164   2.546
  588   HG11  VAL  79          HG11      VAL  79  -8.550  -0.510   1.186
  589   HG12  VAL  79          HG12      VAL  79 -10.125  -1.291   1.354
  590   HG13  VAL  79          HG13      VAL  79  -8.835  -2.086   0.452
  591   HG21  VAL  79          HG21      VAL  79  -8.455  -0.408   3.826
  592   HG22  VAL  79          HG22      VAL  79  -8.846  -1.904   4.674
  593   HG23  VAL  79          HG23      VAL  79 -10.073  -1.092   3.691
  594    H    ALA  80           HN       ALA  80  -8.321  -4.417   4.944
  595    HA   ALA  80           HA       ALA  80  -5.662  -5.004   4.528
  596    HB1  ALA  80           HB1      ALA  80  -6.664  -4.895   6.722
  597    HB2  ALA  80           HB2      ALA  80  -5.790  -6.412   6.509
  598    HB3  ALA  80           HB3      ALA  80  -7.556  -6.390   6.413
  599    H    GLN  81           HN       GLN  81  -8.220  -7.521   4.631
  600    HA   GLN  81           HA       GLN  81  -6.489  -9.496   3.535
  601    HB2  GLN  81           HB2      GLN  81  -8.967  -9.459   4.821
  602    HB3  GLN  81           HB1      GLN  81  -9.304 -10.092   3.215
  603    HG2  GLN  81           HG2      GLN  81  -7.089 -11.151   4.921
  604    HG3  GLN  81           HG1      GLN  81  -8.736 -11.768   5.030
  605   HE21  GLN  81          HE21      GLN  81  -6.253 -13.097   4.193
  606   HE22  GLN  81          HE22      GLN  81  -6.566 -13.703   2.602
  607    H    ARG  82           HN       ARG  82  -8.620  -7.123   2.211
  608    HA   ARG  82           HA       ARG  82  -9.022  -8.264  -0.343
  609    HE   ARG  82           HE       ARG  82 -10.076  -4.725  -3.610
  610    HB2  ARG  82           HB2      ARG  82 -10.527  -6.589   0.314
  611    HB3  ARG  82           HB1      ARG  82  -9.240  -5.516   0.843
  612    HG2  ARG  82           HG2      ARG  82 -10.142  -4.620  -1.143
  613    HG3  ARG  82           HG1      ARG  82  -8.559  -5.304  -1.507
  614    HD2  ARG  82           HD2      ARG  82  -9.621  -7.302  -2.423
  615    HD3  ARG  82           HD1      ARG  82 -11.208  -6.626  -2.054
  616   HH11  ARG  82          HH11      ARG  82 -10.556  -8.168  -3.985
  617   HH12  ARG  82          HH12      ARG  82 -10.685  -8.094  -5.721
  618   HH21  ARG  82          HH21      ARG  82 -10.182  -4.620  -5.899
  619   HH22  ARG  82          HH22      ARG  82 -10.458  -6.080  -6.803
  620    H    LEU  83           HN       LEU  83  -6.473  -6.526   1.175
  621    HA   LEU  83           HA       LEU  83  -5.095  -5.843  -1.267
  622    HG   LEU  83           HG       LEU  83  -4.472  -3.581  -0.599
  623    HB2  LEU  83           HB2      LEU  83  -4.981  -4.973   1.380
  624    HB3  LEU  83           HB1      LEU  83  -3.465  -5.818   1.133
  625   HD11  LEU  83          HD11      LEU  83  -2.320  -3.535   1.493
  626   HD12  LEU  83          HD12      LEU  83  -3.931  -2.840   1.672
  627   HD13  LEU  83          HD13      LEU  83  -2.820  -2.194   0.463
  628   HD21  LEU  83          HD21      LEU  83  -3.018  -5.093  -1.809
  629   HD22  LEU  83          HD22      LEU  83  -1.820  -5.000  -0.518
  630   HD23  LEU  83          HD23      LEU  83  -2.185  -3.572  -1.487
  631    H    MET  84           HN       MET  84  -4.816  -8.256   1.286
  632    HA   MET  84           HA       MET  84  -2.388  -9.430   0.678
  633    HB2  MET  84           HB2      MET  84  -4.923 -10.819   1.582
  634    HB3  MET  84           HB1      MET  84  -3.303 -11.494   1.683
  635    HG2  MET  84           HG2      MET  84  -2.647  -9.780   3.245
  636    HG3  MET  84           HG1      MET  84  -4.221  -9.001   3.090
  637    HE1  MET  84           HE1      MET  84  -4.428  -9.013   5.742
  638    HE2  MET  84           HE2      MET  84  -2.869  -9.829   5.878
  639    HE3  MET  84           HE3      MET  84  -4.277 -10.469   6.726
  640    H    GLN  85           HN       GLN  85  -5.580 -10.405  -0.506
  641    HA   GLN  85           HA       GLN  85  -4.680 -12.393  -2.268
  642    HB2  GLN  85           HB2      GLN  85  -7.218 -10.748  -2.313
  643    HB3  GLN  85           HB1      GLN  85  -6.949 -12.197  -3.271
  644    HG2  GLN  85           HG2      GLN  85  -6.853 -12.127  -0.266
  645    HG3  GLN  85           HG1      GLN  85  -8.289 -12.542  -1.202
  646   HE21  GLN  85          HE21      GLN  85  -8.373 -14.482  -2.288
  647   HE22  GLN  85          HE22      GLN  85  -7.256 -15.765  -1.983
  648    H    HIS  86           HN       HIS  86  -4.970  -8.926  -2.629
  649    HA   HIS  86           HA       HIS  86  -4.949  -8.998  -5.498
  650    HD1  HIS  86           HD1      HIS  86  -6.046  -7.565  -7.046
  651    HD2  HIS  86           HD2      HIS  86  -3.763  -4.538  -5.331
  652    HE1  HIS  86           HE1      HIS  86  -5.713  -5.859  -8.861
  653    HE2  HIS  86           HE2      HIS  86  -4.553  -3.930  -7.730
  654    HB2  HIS  86           HB2      HIS  86  -6.036  -7.178  -4.162
  655    HB3  HIS  86           HB1      HIS  86  -4.425  -6.611  -3.728
  656    H    LEU  87           HN       LEU  87  -2.511  -9.036  -3.057
  657    HA   LEU  87           HA       LEU  87  -0.467  -8.303  -5.007
  658    HG   LEU  87           HG       LEU  87  -1.414  -7.054  -2.253
  659    HB2  LEU  87           HB2      LEU  87  -0.145  -9.174  -2.137
  660    HB3  LEU  87           HB1      LEU  87   1.096  -8.468  -3.163
  661   HD11  LEU  87          HD11      LEU  87   0.159  -5.731  -0.871
  662   HD12  LEU  87          HD12      LEU  87   1.436  -6.873  -1.305
  663   HD13  LEU  87          HD13      LEU  87   0.034  -7.427  -0.389
  664   HD21  LEU  87          HD21      LEU  87  -0.566  -6.297  -4.438
  665   HD22  LEU  87          HD22      LEU  87   1.015  -6.007  -3.709
  666   HD23  LEU  87          HD23      LEU  87  -0.383  -5.064  -3.190
  667    H    ALA  88           HN       ALA  88  -1.689 -11.058  -3.240
  668    HA   ALA  88           HA       ALA  88   0.297 -12.920  -3.995
  669    HB1  ALA  88           HB1      ALA  88  -2.578 -13.449  -3.256
  670    HB2  ALA  88           HB2      ALA  88  -1.244 -13.276  -2.117
  671    HB3  ALA  88           HB3      ALA  88  -1.263 -14.625  -3.253
  672    H    GLU  89           HN       GLU  89  -2.409 -11.608  -5.685
  673    HA   GLU  89           HA       GLU  89  -2.764 -13.726  -7.560
  674    HB2  GLU  89           HB2      GLU  89  -4.144 -12.123  -8.794
  675    HB3  GLU  89           HB1      GLU  89  -4.564 -12.174  -7.089
  676    HG2  GLU  89           HG2      GLU  89  -3.407 -10.124  -6.670
  677    HG3  GLU  89           HG1      GLU  89  -2.762 -10.104  -8.306
  678    H    HIS  90           HN       HIS  90  -0.275 -11.486  -7.240
  679    HA   HIS  90           HA       HIS  90   0.317 -11.696 -10.121
  680    HD1  HIS  90           HD1      HIS  90  -0.186  -9.488 -11.850
  681    HD2  HIS  90           HD2      HIS  90  -1.495  -8.286  -8.093
  682    HE1  HIS  90           HE1      HIS  90  -2.370  -8.310 -12.241
  683    HE2  HIS  90           HE2      HIS  90  -3.290  -7.935  -9.926
  684    HB2  HIS  90           HB2      HIS  90   0.997  -9.409  -8.262
  685    HB3  HIS  90           HB1      HIS  90   1.628  -9.571  -9.898
  686    H    GLY  91           HN       GLY  91   2.329 -10.707  -7.346
  687    HA2  GLY  91           HA2      GLY  91   3.796 -12.965  -6.915
  688    HA3  GLY  91           HA1      GLY  91   4.524 -12.272  -8.355
  689    H    ILE  92           HN       ILE  92   3.121 -10.513  -5.678
  690    HA   ILE  92           HA       ILE  92   5.106  -8.617  -5.450
  691    HB   ILE  92           HB       ILE  92   2.830  -9.530  -3.784
  692   HG12  ILE  92          HG12      ILE  92   2.318  -7.057  -3.993
  693   HG13  ILE  92          HG11      ILE  92   3.747  -6.946  -5.010
  694   HG21  ILE  92          HG21      ILE  92   3.324  -7.939  -1.991
  695   HG22  ILE  92          HG22      ILE  92   4.912  -7.640  -2.700
  696   HG23  ILE  92          HG23      ILE  92   4.516  -9.237  -2.067
  697   HD11  ILE  92          HD11      ILE  92   1.362  -8.672  -5.584
  698   HD12  ILE  92          HD12      ILE  92   2.778  -8.455  -6.615
  699   HD13  ILE  92          HD13      ILE  92   1.690  -7.100  -6.311
  700    H    GLN  93           HN       GLN  93   6.871  -8.331  -4.219
  701    HA   GLN  93           HA       GLN  93   8.134 -10.693  -3.106
  702    HB2  GLN  93           HB2      GLN  93   9.119  -7.850  -3.444
  703    HB3  GLN  93           HB1      GLN  93  10.085  -9.165  -2.797
  704    HG2  GLN  93           HG2      GLN  93  10.708  -8.861  -5.063
  705    HG3  GLN  93           HG1      GLN  93   9.789 -10.359  -4.965
  706   HE21  GLN  93          HE21      GLN  93   9.307 -10.279  -7.167
  707   HE22  GLN  93          HE22      GLN  93   8.128  -9.171  -7.807
  708    HA   PRO  94           HA       PRO  94   6.952  -9.707   1.103
  709    HB2  PRO  94           HB2      PRO  94   9.192 -11.507   1.759
  710    HB3  PRO  94           HB1      PRO  94   7.481 -11.646   2.177
  711    HG2  PRO  94           HG2      PRO  94   8.636 -13.260   0.364
  712    HG3  PRO  94           HG1      PRO  94   6.953 -12.726   0.208
  713    HD2  PRO  94           HD2      PRO  94   9.390 -11.753  -1.223
  714    HD3  PRO  94           HD1      PRO  94   7.741 -11.997  -1.834
  715    H    ALA  95           HN       ALA  95   8.196  -9.036   3.099
  716    HA   ALA  95           HA       ALA  95  10.002  -6.937   2.365
  717    HB1  ALA  95           HB1      ALA  95   8.336  -6.642   4.134
  718    HB2  ALA  95           HB2      ALA  95   9.972  -6.354   4.722
  719    HB3  ALA  95           HB3      ALA  95   9.154  -7.868   5.102
  720    H    ARG  96           HN       ARG  96  11.499  -8.604   1.423
  721    HA   ARG  96           HA       ARG  96  13.257  -9.815   3.449
  722    HE   ARG  96           HE       ARG  96  11.319 -11.463   4.652
  723    HB2  ARG  96           HB2      ARG  96  12.851 -10.476   0.536
  724    HB3  ARG  96           HB1      ARG  96  14.081 -11.213   1.548
  725    HG2  ARG  96           HG2      ARG  96  11.138 -11.351   2.159
  726    HG3  ARG  96           HG1      ARG  96  12.000 -12.567   1.214
  727    HD2  ARG  96           HD2      ARG  96  11.991 -13.446   3.371
  728    HD3  ARG  96           HD1      ARG  96  13.586 -12.714   3.226
  729   HH11  ARG  96          HH11      ARG  96  14.749 -12.076   4.259
  730   HH12  ARG  96          HH12      ARG  96  15.187 -11.267   5.743
  731   HH21  ARG  96          HH21      ARG  96  11.893 -10.459   6.631
  732   HH22  ARG  96          HH22      ARG  96  13.565 -10.384   7.093
  733    H    ASN  97           HN       ASN  97  13.158  -7.068   1.667
  734    HA   ASN  97           HA       ASN  97  15.996  -7.136   0.990
  735    HB2  ASN  97           HB2      ASN  97  15.575  -4.885  -0.086
  736    HB3  ASN  97           HB1      ASN  97  14.763  -6.254  -0.826
  737   HD21  ASN  97          HD21      ASN  97  12.565  -6.319  -0.876
  738   HD22  ASN  97          HD22      ASN  97  11.561  -5.013  -0.342
  739    H    MET  98           HN       MET  98  14.085  -4.391   2.264
  740    HA   MET  98           HA       MET  98  14.514  -2.910   3.936
  741    HB2  MET  98           HB2      MET  98  15.694  -5.391   5.188
  742    HB3  MET  98           HB1      MET  98  15.570  -3.858   6.037
  743    HG2  MET  98           HG2      MET  98  13.258  -5.416   4.906
  744    HG3  MET  98           HG1      MET  98  13.754  -5.394   6.596
  745    HE1  MET  98           HE1      MET  98  10.818  -4.822   6.013
  746    HE2  MET  98           HE2      MET  98  10.516  -3.336   6.915
  747    HE3  MET  98           HE3      MET  98  11.521  -4.604   7.616
  748    H    ALA  99           HN       ALA  99  16.461  -3.141   1.782
  749    HA   ALA  99           HA       ALA  99  19.104  -3.066   2.787
  750    HB1  ALA  99           HB1      ALA  99  18.034  -1.897   0.221
  751    HB2  ALA  99           HB2      ALA  99  18.590  -3.556   0.440
  752    HB3  ALA  99           HB3      ALA  99  19.726  -2.217   0.595
  753    H    GLU 100           HN       GLU 100  16.982  -0.453   1.651
  754    HA   GLU 100           HA       GLU 100  18.725   1.523   2.915
  755    HB2  GLU 100           HB2      GLU 100  16.266   1.928   1.198
  756    HB3  GLU 100           HB1      GLU 100  17.428   3.162   1.668
  757    HG2  GLU 100           HG2      GLU 100  19.147   2.133   0.351
  758    HG3  GLU 100           HG1      GLU 100  18.107   0.755  -0.004
  759    H    HIS 101           HN       HIS 101  17.305  -0.216   4.611
  760    HA   HIS 101           HA       HIS 101  15.461   1.666   5.926
  761    HD1  HIS 101           HD1      HIS 101  11.951  -0.087   5.941
  762    HD2  HIS 101           HD2      HIS 101  14.751  -0.037   2.857
  763    HE1  HIS 101           HE1      HIS 101  10.616   0.062   3.798
  764    HE2  HIS 101           HE2      HIS 101  12.323   0.045   1.955
  765    HB2  HIS 101           HB2      HIS 101  15.170  -1.335   5.671
  766    HB3  HIS 101           HB1      HIS 101  14.236  -0.358   6.791
  767    H    ILE 102           HN       ILE 102  15.437   1.549   8.214
  768    HA   ILE 102           HA       ILE 102  17.493  -0.137   9.458
  769    HB   ILE 102           HB       ILE 102  17.083   2.781  10.168
  770   HG12  ILE 102          HG12      ILE 102  19.441   1.399   8.866
  771   HG13  ILE 102          HG11      ILE 102  18.325   2.495   8.060
  772   HG21  ILE 102          HG21      ILE 102  19.001   2.423  11.684
  773   HG22  ILE 102          HG22      ILE 102  18.961   0.703  11.287
  774   HG23  ILE 102          HG23      ILE 102  17.596   1.448  12.119
  775   HD11  ILE 102          HD11      ILE 102  20.212   3.196  10.295
  776   HD12  ILE 102          HD12      ILE 102  19.056   4.299   9.548
  777   HD13  ILE 102          HD13      ILE 102  20.380   3.632   8.593
  778    HA   PRO 103           HA       PRO 103  13.402  -0.563  11.508
  779    HB2  PRO 103           HB2      PRO 103  13.474  -3.244  11.742
  780    HB3  PRO 103           HB1      PRO 103  13.003  -2.447  10.237
  781    HG2  PRO 103           HG2      PRO 103  15.621  -3.686  10.991
  782    HG3  PRO 103           HG1      PRO 103  14.743  -3.768   9.452
  783    HD2  PRO 103           HD2      PRO 103  16.852  -2.086   9.914
  784    HD3  PRO 103           HD1      PRO 103  15.569  -1.757   8.734
  785    HA   PRO 104           HA       PRO 104  14.895  -0.679  15.670
  786    HB2  PRO 104           HB2      PRO 104  12.374  -2.050  16.376
  787    HB3  PRO 104           HB1      PRO 104  13.011  -0.507  16.950
  788    HG2  PRO 104           HG2      PRO 104  10.942  -0.618  15.253
  789    HG3  PRO 104           HG1      PRO 104  12.160   0.667  15.150
  790    HD2  PRO 104           HD2      PRO 104  11.830  -1.777  13.460
  791    HD3  PRO 104           HD1      PRO 104  12.303  -0.131  12.989
  792    H    ALA 105           HN       ALA 105  16.411  -2.071  16.246
  793    HA   ALA 105           HA       ALA 105  16.058  -4.924  15.790
  794    HB1  ALA 105           HB1      ALA 105  18.452  -3.387  16.796
  795    HB2  ALA 105           HB2      ALA 105  18.155  -3.854  15.121
  796    HB3  ALA 105           HB3      ALA 105  18.429  -5.092  16.346
  797    HA   PRO 106           HA       PRO 106  14.985  -5.812  20.025
  798    HB2  PRO 106           HB2      PRO 106  16.056  -8.502  19.518
  799    HB3  PRO 106           HB1      PRO 106  14.402  -8.007  19.886
  800    HG2  PRO 106           HG2      PRO 106  15.103  -8.877  17.446
  801    HG3  PRO 106           HG1      PRO 106  13.891  -7.601  17.672
  802    HD2  PRO 106           HD2      PRO 106  16.786  -7.352  16.917
  803    HD3  PRO 106           HD1      PRO 106  15.372  -6.513  16.242
  804    H    ASN 107           HN       ASN 107  17.423  -4.508  19.777
  805    HA   ASN 107           HA       ASN 107  19.327  -6.056  21.385
  806    HB2  ASN 107           HB2      ASN 107  20.201  -4.801  19.442
  807    HB3  ASN 107           HB1      ASN 107  19.567  -3.307  20.119
  808   HD21  ASN 107          HD21      ASN 107  22.037  -5.723  20.306
  809   HD22  ASN 107          HD22      ASN 107  23.078  -4.866  21.392
  810    H    TRP 108           HN       TRP 108  17.000  -3.539  21.518
  811    HA   TRP 108           HA       TRP 108  17.780  -2.766  24.231
  812    HD1  TRP 108           HD1      TRP 108  13.915  -0.777  24.040
  813    HE1  TRP 108           HE1      TRP 108  13.896   0.820  26.059
  814    HE3  TRP 108           HE3      TRP 108  18.952  -0.134  24.591
  815    HZ2  TRP 108           HZ2      TRP 108  15.785   2.182  27.666
  816    HZ3  TRP 108           HZ3      TRP 108  19.766   1.331  26.391
  817    HH2  TRP 108           HH2      TRP 108  18.213   2.466  27.897
  818    HB2  TRP 108           HB2      TRP 108  17.383  -0.955  22.595
  819    HB3  TRP 108           HB1      TRP 108  15.744  -1.543  22.346
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -17.426  21.550  -2.133
    2    H2   GLY   1           HT2      GLY   1 -16.473  20.261  -2.686
    3    H3   GLY   1           HT3      GLY   1 -15.739  21.650  -2.046
    4    HA2  GLY   1           HA1      GLY   1 -15.680  19.841  -0.449
    5    HA3  GLY   1           HA2      GLY   1 -16.646  21.191   0.131
    6    H    HIS   2           HN       HIS   2 -17.809  19.857   1.535
    7    HA   HIS   2           HA       HIS   2 -19.687  18.742   2.166
    8    HD1  HIS   2           HD1      HIS   2 -23.025  19.323   1.579
    9    HD2  HIS   2           HD2      HIS   2 -20.177  21.690  -0.319
   10    HE1  HIS   2           HE1      HIS   2 -23.853  21.687   1.796
   11    HE2  HIS   2           HE2      HIS   2 -22.194  23.086   0.519
   12    HB2  HIS   2           HB2      HIS   2 -20.282  18.829  -0.785
   13    HB3  HIS   2           HB1      HIS   2 -21.324  17.972   0.343
   14    H    MET   3           HN       MET   3 -18.320  17.224  -0.759
   15    HA   MET   3           HA       MET   3 -18.475  14.634   0.648
   16    HB2  MET   3           HB2      MET   3 -18.654  15.203  -2.317
   17    HB3  MET   3           HB1      MET   3 -18.567  13.593  -1.617
   18    HG2  MET   3           HG2      MET   3 -20.677  14.016  -0.433
   19    HG3  MET   3           HG1      MET   3 -20.764  15.603  -1.196
   20    HE1  MET   3           HE1      MET   3 -23.579  13.622  -3.054
   21    HE2  MET   3           HE2      MET   3 -23.184  15.050  -2.097
   22    HE3  MET   3           HE3      MET   3 -23.122  13.449  -1.360
   23    H    SER   4           HN       SER   4 -16.855  13.031  -0.143
   24    HA   SER   4           HA       SER   4 -14.338  14.295  -0.995
   25    HG   SER   4           HG       SER   4 -14.618  13.826   2.419
   26    HB2  SER   4           HB2      SER   4 -14.701  12.175   1.140
   27    HB3  SER   4           HB1      SER   4 -13.141  12.681   0.495
   28    H    GLY   5           HN       GLY   5 -15.060  13.606  -3.120
   29    HA2  GLY   5           HA2      GLY   5 -15.159  10.713  -3.571
   30    HA3  GLY   5           HA1      GLY   5 -15.550  11.964  -4.744
   31    H    PHE   6           HN       PHE   6 -13.839  13.048  -5.827
   32    HA   PHE   6           HA       PHE   6 -11.582  11.335  -6.311
   33    HD1  PHE   6           HD1      PHE   6 -10.919  10.731  -8.593
   34    HD2  PHE   6           HD2      PHE   6 -10.216  14.925  -8.402
   35    HE1  PHE   6           HE1      PHE   6  -8.881  10.446  -9.940
   36    HE2  PHE   6           HE2      PHE   6  -8.174  14.646  -9.746
   37    HZ   PHE   6           HZ       PHE   6  -7.504  12.404 -10.518
   38    HB2  PHE   6           HB2      PHE   6 -12.771  12.574  -8.131
   39    HB3  PHE   6           HB1      PHE   6 -12.135  14.075  -7.466
   40    H    LYS   7           HN       LYS   7 -10.848  11.531  -4.072
   41    HA   LYS   7           HA       LYS   7  -9.339  13.980  -3.502
   42    HB2  LYS   7           HB2      LYS   7  -9.853  11.546  -1.778
   43    HB3  LYS   7           HB1      LYS   7  -9.052  13.022  -1.258
   44    HG2  LYS   7           HG2      LYS   7 -11.852  13.058  -2.318
   45    HG3  LYS   7           HG1      LYS   7 -11.505  12.683  -0.629
   46    HD2  LYS   7           HD2      LYS   7 -10.556  15.182  -2.022
   47    HD3  LYS   7           HD1      LYS   7 -12.050  15.088  -1.088
   48    HE2  LYS   7           HE2      LYS   7  -9.276  14.538  -0.039
   49    HE3  LYS   7           HE1      LYS   7 -10.206  16.008   0.238
   50    HZ1  LYS   7           HZ1      LYS   7 -11.898  14.640   1.356
   51    HZ2  LYS   7           HZ2      LYS   7 -10.398  14.567   2.130
   52    HZ3  LYS   7           HZ3      LYS   7 -10.913  13.270   1.172
   53    H    HIS   8           HN       HIS   8  -8.422  12.456  -5.626
   54    HA   HIS   8           HA       HIS   8  -6.016  11.144  -4.541
   55    HD1  HIS   8           HD1      HIS   8  -6.743   7.711  -7.504
   56    HD2  HIS   8           HD2      HIS   8  -3.971  10.279  -5.762
   57    HE1  HIS   8           HE1      HIS   8  -4.524   6.552  -7.691
   58    HE2  HIS   8           HE2      HIS   8  -2.844   8.246  -6.889
   59    HB2  HIS   8           HB2      HIS   8  -7.681   9.659  -5.755
   60    HB3  HIS   8           HB1      HIS   8  -7.307  10.566  -7.214
   61    H    VAL   9           HN       VAL   9  -5.304  13.476  -4.561
   62    HA   VAL   9           HA       VAL   9  -4.175  14.151  -7.178
   63    HB   VAL   9           HB       VAL   9  -4.511  16.575  -6.517
   64   HG11  VAL   9          HG11      VAL   9  -6.806  16.649  -7.390
   65   HG12  VAL   9          HG12      VAL   9  -6.947  14.911  -7.127
   66   HG13  VAL   9          HG13      VAL   9  -5.792  15.534  -8.305
   67   HG21  VAL   9          HG21      VAL   9  -5.060  16.254  -4.180
   68   HG22  VAL   9          HG22      VAL   9  -6.499  15.336  -4.627
   69   HG23  VAL   9          HG23      VAL   9  -6.393  17.054  -5.013
   70    H    SER  10           HN       SER  10  -3.907  14.053  -3.729
   71    HA   SER  10           HA       SER  10  -1.595  15.655  -3.419
   72    HG   SER  10           HG       SER  10  -4.101  14.375  -0.995
   73    HB2  SER  10           HB2      SER  10  -2.358  13.359  -1.613
   74    HB3  SER  10           HB1      SER  10  -1.593  14.894  -1.183
   75    H    HIS  11           HN       HIS  11  -1.922  12.858  -5.076
   76    HA   HIS  11           HA       HIS  11  -0.546  11.246  -5.883
   77    HD1  HIS  11           HD1      HIS  11   1.307  15.057  -5.376
   78    HD2  HIS  11           HD2      HIS  11   1.252  12.116  -8.317
   79    HE1  HIS  11           HE1      HIS  11   1.272  16.284  -7.559
   80    HE2  HIS  11           HE2      HIS  11   1.056  14.497  -9.318
   81    HB2  HIS  11           HB2      HIS  11   1.666  12.739  -4.457
   82    HB3  HIS  11           HB1      HIS  11   1.899  11.426  -5.606
   83    H    VAL  12           HN       VAL  12  -1.213  11.811  -2.761
   84    HA   VAL  12           HA       VAL  12  -1.325  10.699  -0.839
   85    HB   VAL  12           HB       VAL  12  -2.146   8.914  -2.584
   86   HG11  VAL  12          HG11      VAL  12  -1.034   6.747  -2.264
   87   HG12  VAL  12          HG12      VAL  12   0.269   7.565  -1.401
   88   HG13  VAL  12          HG13      VAL  12  -0.017   7.919  -3.105
   89   HG21  VAL  12          HG21      VAL  12  -2.800   7.508  -0.729
   90   HG22  VAL  12          HG22      VAL  12  -2.913   9.217  -0.286
   91   HG23  VAL  12          HG23      VAL  12  -1.558   8.243   0.289
   92    H    GLY  13           HN       GLY  13   1.553   9.777  -2.683
   93    HA2  GLY  13           HA2      GLY  13   3.625  10.436  -1.390
   94    HA3  GLY  13           HA1      GLY  13   2.953   9.445  -0.104
   95    H    TRP  14           HN       TRP  14   2.756   8.621  -3.497
   96    HA   TRP  14           HA       TRP  14   4.599   6.381  -3.000
   97    HD1  TRP  14           HD1      TRP  14   4.161   3.463  -3.466
   98    HE1  TRP  14           HE1      TRP  14   4.784   1.966  -5.468
   99    HE3  TRP  14           HE3      TRP  14   2.393   6.410  -7.254
  100    HZ2  TRP  14           HZ2      TRP  14   4.542   2.030  -8.276
  101    HZ3  TRP  14           HZ3      TRP  14   2.626   5.612  -9.572
  102    HH2  TRP  14           HH2      TRP  14   3.679   3.461 -10.071
  103    HB2  TRP  14           HB2      TRP  14   2.347   5.541  -3.319
  104    HB3  TRP  14           HB1      TRP  14   2.159   6.490  -4.788
  105    H    ASP  15           HN       ASP  15   6.305   6.190  -4.292
  106    HA   ASP  15           HA       ASP  15   6.407   7.856  -6.729
  107    HB2  ASP  15           HB2      ASP  15   8.073   8.120  -4.651
  108    HB3  ASP  15           HB1      ASP  15   8.901   6.799  -5.471
  109    HA   PRO  16           HA       PRO  16   6.152   4.473  -9.463
  110    HB2  PRO  16           HB2      PRO  16   8.797   4.986 -10.577
  111    HB3  PRO  16           HB1      PRO  16   7.210   5.148 -11.330
  112    HG2  PRO  16           HG2      PRO  16   8.885   7.190 -10.113
  113    HG3  PRO  16           HG1      PRO  16   7.442   7.385 -11.116
  114    HD2  PRO  16           HD2      PRO  16   7.510   8.000  -8.465
  115    HD3  PRO  16           HD1      PRO  16   6.037   7.455  -9.295
  116    H    GLN  17           HN       GLN  17   9.632   4.681  -8.587
  117    HA   GLN  17           HA       GLN  17   9.568   1.765  -8.223
  118    HB2  GLN  17           HB2      GLN  17  11.881   3.607  -8.784
  119    HB3  GLN  17           HB1      GLN  17  12.019   1.879  -8.486
  120    HG2  GLN  17           HG2      GLN  17  10.726   1.383 -10.451
  121    HG3  GLN  17           HG1      GLN  17  10.428   3.099 -10.727
  122   HE21  GLN  17          HE21      GLN  17  11.334   2.994 -12.770
  123   HE22  GLN  17          HE22      GLN  17  13.044   2.871 -13.016
  124    H    ASN  18           HN       ASN  18  10.320   4.770  -6.619
  125    HA   ASN  18           HA       ASN  18  11.714   3.674  -4.416
  126    HB2  ASN  18           HB2      ASN  18  11.829   6.059  -4.956
  127    HB3  ASN  18           HB1      ASN  18  10.117   6.238  -4.594
  128   HD21  ASN  18          HD21      ASN  18  13.282   5.648  -3.251
  129   HD22  ASN  18          HD22      ASN  18  12.880   6.068  -1.619
  130    H    GLY  19           HN       GLY  19   8.304   4.179  -5.075
  131    HA2  GLY  19           HA2      GLY  19   6.583   2.873  -4.178
  132    HA3  GLY  19           HA1      GLY  19   7.660   2.375  -2.881
  133    H    PHE  20           HN       PHE  20   5.674   2.813  -1.635
  134    HA   PHE  20           HA       PHE  20   4.933   5.527  -1.085
  135    HD1  PHE  20           HD2      PHE  20   2.060   5.540  -0.473
  136    HD2  PHE  20           HD1      PHE  20   3.552   1.617  -1.175
  137    HE1  PHE  20           HE2      PHE  20   0.118   5.062  -1.903
  138    HE2  PHE  20           HE1      PHE  20   1.614   1.130  -2.607
  139    HZ   PHE  20           HZ       PHE  20  -0.209   2.777  -2.804
  140    HB2  PHE  20           HB2      PHE  20   4.507   2.988   0.513
  141    HB3  PHE  20           HB1      PHE  20   3.821   4.548   0.932
  142    H    ASP  21           HN       ASP  21   6.090   6.934   0.118
  143    HA   ASP  21           HA       ASP  21   8.509   6.018   1.352
  144    HB2  ASP  21           HB2      ASP  21   8.233   8.277   0.246
  145    HB3  ASP  21           HB1      ASP  21   7.306   8.766   1.666
  146    H    VAL  22           HN       VAL  22   8.743   5.275   3.303
  147    HA   VAL  22           HA       VAL  22   6.456   4.912   4.954
  148    HB   VAL  22           HB       VAL  22   8.044   3.735   6.477
  149   HG11  VAL  22          HG11      VAL  22   8.106   2.946   3.565
  150   HG12  VAL  22          HG12      VAL  22   6.842   2.547   4.729
  151   HG13  VAL  22          HG13      VAL  22   8.463   1.882   4.924
  152   HG21  VAL  22          HG21      VAL  22  10.046   5.055   5.952
  153   HG22  VAL  22          HG22      VAL  22  10.049   4.388   4.315
  154   HG23  VAL  22          HG23      VAL  22  10.317   3.330   5.702
  155    H    ASN  23           HN       ASN  23   8.713   7.442   4.813
  156    HA   ASN  23           HA       ASN  23   8.764   8.000   7.646
  157    HB2  ASN  23           HB2      ASN  23   9.544   9.794   5.336
  158    HB3  ASN  23           HB1      ASN  23   9.915  10.072   7.034
  159   HD21  ASN  23          HD21      ASN  23  10.707   8.334   4.173
  160   HD22  ASN  23          HD22      ASN  23  12.162   7.592   4.772
  161    H    ASN  24           HN       ASN  24   6.866   8.924   4.877
  162    HA   ASN  24           HA       ASN  24   5.267  10.696   6.601
  163    HB2  ASN  24           HB2      ASN  24   4.666  11.922   4.496
  164    HB3  ASN  24           HB1      ASN  24   6.354  12.064   4.968
  165   HD21  ASN  24          HD21      ASN  24   7.941  11.084   3.723
  166   HD22  ASN  24          HD22      ASN  24   7.616  10.475   2.135
  167    H    LEU  25           HN       LEU  25   4.977   7.819   6.120
  168    HA   LEU  25           HA       LEU  25   2.732   7.349   4.465
  169    HG   LEU  25           HG       LEU  25   4.950   5.540   4.521
  170    HB2  LEU  25           HB2      LEU  25   3.958   5.881   6.770
  171    HB3  LEU  25           HB1      LEU  25   2.409   5.371   6.138
  172   HD11  LEU  25          HD11      LEU  25   3.530   3.162   5.717
  173   HD12  LEU  25          HD12      LEU  25   5.092   3.806   6.226
  174   HD13  LEU  25          HD13      LEU  25   4.911   3.090   4.624
  175   HD21  LEU  25          HD21      LEU  25   3.724   4.383   2.815
  176   HD22  LEU  25          HD22      LEU  25   2.827   5.836   3.263
  177   HD23  LEU  25          HD23      LEU  25   2.306   4.259   3.856
  178    H    ASP  26           HN       ASP  26   0.797   8.199   4.701
  179    HA   ASP  26           HA       ASP  26  -0.249   9.493   6.920
  180    HB2  ASP  26           HB2      ASP  26  -1.240   9.672   4.680
  181    HB3  ASP  26           HB1      ASP  26  -1.747   7.986   4.757
  182    HA   PRO  27           HA       PRO  27  -0.824   6.482  10.041
  183    HB2  PRO  27           HB2      PRO  27  -3.336   8.031  10.500
  184    HB3  PRO  27           HB1      PRO  27  -2.099   7.522  11.657
  185    HG2  PRO  27           HG2      PRO  27  -2.166  10.028  10.808
  186    HG3  PRO  27           HG1      PRO  27  -0.615   9.187  10.999
  187    HD2  PRO  27           HD2      PRO  27  -2.118   9.845   8.509
  188    HD3  PRO  27           HD1      PRO  27  -0.369   9.794   8.794
  189    H    ASP  28           HN       ASP  28  -3.493   7.157   7.799
  190    HA   ASP  28           HA       ASP  28  -4.962   4.802   8.588
  191    HB2  ASP  28           HB2      ASP  28  -5.219   6.549   6.124
  192    HB3  ASP  28           HB1      ASP  28  -6.312   5.230   6.527
  193    H    LEU  29           HN       LEU  29  -2.854   5.709   5.888
  194    HA   LEU  29           HA       LEU  29  -2.897   3.230   4.558
  195    HG   LEU  29           HG       LEU  29  -2.686   6.294   3.813
  196    HB2  LEU  29           HB2      LEU  29  -0.655   5.244   4.721
  197    HB3  LEU  29           HB1      LEU  29  -0.791   3.961   3.534
  198   HD11  LEU  29          HD11      LEU  29  -0.551   7.016   2.991
  199   HD12  LEU  29          HD12      LEU  29  -1.704   6.986   1.657
  200   HD13  LEU  29          HD13      LEU  29  -0.510   5.696   1.820
  201   HD21  LEU  29          HD21      LEU  29  -3.798   4.287   2.977
  202   HD22  LEU  29          HD22      LEU  29  -2.552   4.103   1.742
  203   HD23  LEU  29          HD23      LEU  29  -3.632   5.498   1.705
  204    H    ARG  30           HN       ARG  30  -0.692   4.564   6.987
  205    HA   ARG  30           HA       ARG  30   1.059   2.411   7.242
  206    HE   ARG  30           HE       ARG  30   3.769   1.714  10.780
  207    HB2  ARG  30           HB2      ARG  30   1.395   4.626   8.288
  208    HB3  ARG  30           HB1      ARG  30   0.089   4.283   9.412
  209    HG2  ARG  30           HG2      ARG  30   2.123   3.918  10.563
  210    HG3  ARG  30           HG1      ARG  30   1.426   2.331  10.232
  211    HD2  ARG  30           HD2      ARG  30   2.915   2.079   8.308
  212    HD3  ARG  30           HD1      ARG  30   3.602   3.669   8.630
  213   HH11  ARG  30          HH11      ARG  30   5.385   3.387   8.157
  214   HH12  ARG  30          HH12      ARG  30   6.973   2.928   8.685
  215   HH21  ARG  30          HH21      ARG  30   5.859   1.141  11.475
  216   HH22  ARG  30          HH22      ARG  30   7.248   1.642  10.540
  217    H    SER  31           HN       SER  31  -2.053   3.030   8.780
  218    HA   SER  31           HA       SER  31  -2.100   0.814  10.503
  219    HG   SER  31           HG       SER  31  -5.096   1.652  11.587
  220    HB2  SER  31           HB2      SER  31  -3.676   2.819  10.519
  221    HB3  SER  31           HB1      SER  31  -4.507   2.066   9.163
  222    H    LEU  32           HN       LEU  32  -3.483   1.258   7.250
  223    HA   LEU  32           HA       LEU  32  -4.691  -1.261   7.082
  224    HG   LEU  32           HG       LEU  32  -4.231  -1.670   4.005
  225    HB2  LEU  32           HB2      LEU  32  -5.319   0.608   5.653
  226    HB3  LEU  32           HB1      LEU  32  -3.748   0.565   4.877
  227   HD11  LEU  32          HD11      LEU  32  -6.479  -2.599   4.180
  228   HD12  LEU  32          HD12      LEU  32  -6.941  -1.272   5.248
  229   HD13  LEU  32          HD13      LEU  32  -5.716  -2.433   5.762
  230   HD21  LEU  32          HD21      LEU  32  -6.019  -1.029   2.414
  231   HD22  LEU  32          HD22      LEU  32  -4.738   0.177   2.568
  232   HD23  LEU  32          HD23      LEU  32  -6.291   0.430   3.369
  233    H    PHE  33           HN       PHE  33  -1.577  -0.126   5.848
  234    HA   PHE  33           HA       PHE  33  -1.115  -2.411   4.260
  235    HD1  PHE  33           HD2      PHE  33  -1.864  -1.013   3.012
  236    HD2  PHE  33           HD1      PHE  33   1.614   1.337   3.798
  237    HE1  PHE  33           HE2      PHE  33  -2.624   0.673   1.398
  238    HE2  PHE  33           HE1      PHE  33   0.852   3.011   2.188
  239    HZ   PHE  33           HZ       PHE  33  -1.277   2.689   0.982
  240    HB2  PHE  33           HB2      PHE  33   0.896  -0.429   5.326
  241    HB3  PHE  33           HB1      PHE  33   1.174  -1.577   4.021
  242    H    SER  34           HN       SER  34   0.174  -1.483   7.445
  243    HA   SER  34           HA       SER  34   1.653  -3.872   7.815
  244    HG   SER  34           HG       SER  34   2.824  -2.001   8.198
  245    HB2  SER  34           HB2      SER  34   0.556  -1.914   9.832
  246    HB3  SER  34           HB1      SER  34   1.778  -3.152  10.154
  247    H    ARG  35           HN       ARG  35  -1.664  -3.035   8.225
  248    HA   ARG  35           HA       ARG  35  -2.435  -5.347   9.763
  249    HE   ARG  35           HE       ARG  35  -7.871  -4.850   9.116
  250    HB2  ARG  35           HB2      ARG  35  -3.588  -3.150   9.808
  251    HB3  ARG  35           HB1      ARG  35  -4.069  -3.407   8.140
  252    HG2  ARG  35           HG2      ARG  35  -5.306  -5.387   8.826
  253    HG3  ARG  35           HG1      ARG  35  -4.873  -5.066  10.503
  254    HD2  ARG  35           HD2      ARG  35  -6.048  -2.995  10.510
  255    HD3  ARG  35           HD1      ARG  35  -6.284  -3.050   8.767
  256   HH11  ARG  35          HH11      ARG  35  -6.919  -3.064  11.980
  257   HH12  ARG  35          HH12      ARG  35  -8.417  -3.345  12.811
  258   HH21  ARG  35          HH21      ARG  35  -9.832  -5.204  10.181
  259   HH22  ARG  35          HH22      ARG  35 -10.086  -4.579  11.791
  260    H    ALA  36           HN       ALA  36  -1.688  -4.656   6.546
  261    HA   ALA  36           HA       ALA  36  -3.140  -6.992   5.510
  262    HB1  ALA  36           HB1      ALA  36  -2.627  -5.947   3.266
  263    HB2  ALA  36           HB2      ALA  36  -2.004  -4.552   4.150
  264    HB3  ALA  36           HB3      ALA  36  -3.698  -5.011   4.308
  265    H    GLY  37           HN       GLY  37  -0.430  -6.692   6.988
  266    HA2  GLY  37           HA2      GLY  37   1.324  -8.223   7.032
  267    HA3  GLY  37           HA1      GLY  37   0.833  -8.789   5.445
  268    H    ILE  38           HN       ILE  38   0.890  -5.806   4.651
  269    HA   ILE  38           HA       ILE  38   3.415  -5.821   3.417
  270    HB   ILE  38           HB       ILE  38   1.625  -3.439   3.913
  271   HG12  ILE  38          HG12      ILE  38   1.589  -5.265   1.512
  272   HG13  ILE  38          HG11      ILE  38   0.496  -5.464   2.882
  273   HG21  ILE  38          HG21      ILE  38   2.621  -2.575   1.839
  274   HG22  ILE  38          HG22      ILE  38   3.675  -3.987   1.771
  275   HG23  ILE  38          HG23      ILE  38   3.830  -2.836   3.097
  276   HD11  ILE  38          HD11      ILE  38  -0.556  -4.255   1.067
  277   HD12  ILE  38          HD12      ILE  38   0.718  -3.036   1.130
  278   HD13  ILE  38          HD13      ILE  38  -0.381  -3.233   2.495
  279    H    SER  39           HN       SER  39   5.183  -5.843   4.693
  280    HA   SER  39           HA       SER  39   5.464  -4.124   6.963
  281    HG   SER  39           HG       SER  39   8.874  -5.246   7.125
  282    HB2  SER  39           HB2      SER  39   6.630  -6.295   6.832
  283    HB3  SER  39           HB1      SER  39   7.567  -5.685   5.475
  284    H    GLU  40           HN       GLU  40   7.481  -2.625   7.023
  285    HA   GLU  40           HA       GLU  40   7.000  -0.471   5.351
  286    HB2  GLU  40           HB2      GLU  40   9.387  -1.232   6.993
  287    HB3  GLU  40           HB1      GLU  40   9.396   0.223   6.004
  288    HG2  GLU  40           HG2      GLU  40   7.230   0.827   7.218
  289    HG3  GLU  40           HG1      GLU  40   7.690  -0.426   8.374
  290    H    ALA  41           HN       ALA  41   9.442  -3.006   5.015
  291    HA   ALA  41           HA       ALA  41  10.875  -1.920   2.876
  292    HB1  ALA  41           HB1      ALA  41  10.414  -4.832   3.519
  293    HB2  ALA  41           HB2      ALA  41  11.676  -3.807   4.202
  294    HB3  ALA  41           HB3      ALA  41  11.687  -4.190   2.481
  295    H    GLN  42           HN       GLN  42   7.767  -3.382   2.965
  296    HA   GLN  42           HA       GLN  42   7.758  -4.128   0.172
  297    HB2  GLN  42           HB2      GLN  42   5.740  -4.293   2.382
  298    HB3  GLN  42           HB1      GLN  42   5.263  -4.545   0.711
  299    HG2  GLN  42           HG2      GLN  42   6.819  -6.385   0.514
  300    HG3  GLN  42           HG1      GLN  42   7.384  -6.104   2.163
  301   HE21  GLN  42          HE21      GLN  42   4.772  -7.261   0.185
  302   HE22  GLN  42          HE22      GLN  42   3.905  -8.060   1.452
  303    H    LEU  43           HN       LEU  43   6.548  -1.504   2.175
  304    HA   LEU  43           HA       LEU  43   5.095  -0.221   0.111
  305    HG   LEU  43           HG       LEU  43   3.840   1.869   2.537
  306    HB2  LEU  43           HB2      LEU  43   6.268   0.684   2.699
  307    HB3  LEU  43           HB1      LEU  43   5.830   1.904   1.520
  308   HD11  LEU  43          HD11      LEU  43   3.577  -0.731   1.047
  309   HD12  LEU  43          HD12      LEU  43   3.293   0.885   0.405
  310   HD13  LEU  43          HD13      LEU  43   2.241   0.241   1.662
  311   HD21  LEU  43          HD21      LEU  43   4.662   0.547   4.404
  312   HD22  LEU  43          HD22      LEU  43   4.355  -0.935   3.498
  313   HD23  LEU  43          HD23      LEU  43   3.008   0.109   3.971
  314    H    THR  44           HN       THR  44   8.458  -0.444   0.902
  315    HA   THR  44           HA       THR  44   9.140   1.540  -1.136
  316    HB   THR  44           HB       THR  44  11.492   1.176  -0.328
  317    HG1  THR  44           HG1      THR  44  10.712  -0.975   0.677
  318   HG21  THR  44          HG21      THR  44  11.159   2.384   1.804
  319   HG22  THR  44          HG22      THR  44   9.436   2.019   1.718
  320   HG23  THR  44          HG23      THR  44  10.181   3.048   0.494
  321    H    ASP  45           HN       ASP  45   8.195  -1.460  -1.310
  322    HA   ASP  45           HA       ASP  45  10.307  -2.507  -3.027
  323    HB2  ASP  45           HB2      ASP  45   9.120  -4.026  -1.450
  324    HB3  ASP  45           HB1      ASP  45   7.626  -3.716  -2.316
  325    H    ALA  46           HN       ALA  46  10.110  -2.739  -5.251
  326    HA   ALA  46           HA       ALA  46   8.794  -0.648  -6.533
  327    HB1  ALA  46           HB1      ALA  46   9.804  -3.179  -7.812
  328    HB2  ALA  46           HB2      ALA  46  10.801  -1.786  -7.393
  329    HB3  ALA  46           HB3      ALA  46   9.530  -1.628  -8.606
  330    H    GLU  47           HN       GLU  47   8.081  -4.113  -7.112
  331    HA   GLU  47           HA       GLU  47   5.652  -3.463  -8.437
  332    HB2  GLU  47           HB2      GLU  47   5.231  -5.914  -8.429
  333    HB3  GLU  47           HB1      GLU  47   6.791  -5.464  -9.095
  334    HG2  GLU  47           HG2      GLU  47   6.683  -6.176  -6.221
  335    HG3  GLU  47           HG1      GLU  47   6.487  -7.469  -7.397
  336    H    THR  48           HN       THR  48   6.414  -4.577  -5.166
  337    HA   THR  48           HA       THR  48   3.837  -5.229  -4.362
  338    HB   THR  48           HB       THR  48   6.003  -4.027  -2.627
  339    HG1  THR  48           HG1      THR  48   6.851  -5.863  -3.508
  340   HG21  THR  48          HG21      THR  48   3.560  -5.683  -1.978
  341   HG22  THR  48          HG22      THR  48   3.850  -4.004  -1.515
  342   HG23  THR  48          HG23      THR  48   4.843  -5.292  -0.830
  343    H    SER  49           HN       SER  49   5.483  -2.068  -4.031
  344    HA   SER  49           HA       SER  49   3.293  -0.836  -2.733
  345    HG   SER  49           HG       SER  49   6.489  -0.158  -4.526
  346    HB2  SER  49           HB2      SER  49   4.482   1.272  -3.167
  347    HB3  SER  49           HB1      SER  49   5.581   0.030  -2.564
  348    H    LYS  50           HN       LYS  50   4.242  -1.098  -6.114
  349    HA   LYS  50           HA       LYS  50   2.524   0.880  -7.118
  350    HB2  LYS  50           HB2      LYS  50   4.428  -0.043  -8.374
  351    HB3  LYS  50           HB1      LYS  50   3.576  -1.574  -8.528
  352    HG2  LYS  50           HG2      LYS  50   1.927  -0.629  -9.932
  353    HG3  LYS  50           HG1      LYS  50   2.461   1.014  -9.570
  354    HD2  LYS  50           HD2      LYS  50   4.553   0.622 -10.730
  355    HD3  LYS  50           HD1      LYS  50   4.102  -1.060 -11.021
  356    HE2  LYS  50           HE2      LYS  50   3.734   0.331 -13.000
  357    HE3  LYS  50           HE1      LYS  50   2.233  -0.341 -12.378
  358    HZ1  LYS  50           HZ1      LYS  50   1.941   1.854 -11.195
  359    HZ2  LYS  50           HZ2      LYS  50   1.764   1.875 -12.875
  360    HZ3  LYS  50           HZ3      LYS  50   3.195   2.451 -12.174
  361    H    LEU  51           HN       LEU  51   2.007  -2.593  -6.568
  362    HA   LEU  51           HA       LEU  51  -0.587  -2.530  -7.773
  363    HG   LEU  51           HG       LEU  51  -0.060  -5.952  -8.172
  364    HB2  LEU  51           HB2      LEU  51   0.905  -4.561  -6.212
  365    HB3  LEU  51           HB1      LEU  51  -0.832  -4.735  -6.402
  366   HD11  LEU  51          HD11      LEU  51  -1.619  -4.300  -9.003
  367   HD12  LEU  51          HD12      LEU  51  -0.413  -4.699 -10.226
  368   HD13  LEU  51          HD13      LEU  51  -0.286  -3.189  -9.324
  369   HD21  LEU  51          HD21      LEU  51   2.302  -5.379  -7.790
  370   HD22  LEU  51          HD22      LEU  51   2.063  -3.906  -8.735
  371   HD23  LEU  51          HD23      LEU  51   1.876  -5.484  -9.501
  372    H    ILE  52           HN       ILE  52   0.618  -2.073  -4.483
  373    HA   ILE  52           HA       ILE  52  -1.888  -2.015  -3.208
  374    HB   ILE  52           HB       ILE  52   0.532  -0.317  -2.569
  375   HG12  ILE  52          HG12      ILE  52  -0.285  -2.960  -1.359
  376   HG13  ILE  52          HG11      ILE  52   0.919  -2.809  -2.636
  377   HG21  ILE  52          HG21      ILE  52  -1.496   0.494  -1.508
  378   HG22  ILE  52          HG22      ILE  52  -0.431  -0.240  -0.309
  379   HG23  ILE  52          HG23      ILE  52  -1.842  -1.123  -0.894
  380   HD11  ILE  52          HD11      ILE  52   1.683  -2.963  -0.185
  381   HD12  ILE  52          HD12      ILE  52   1.212  -1.264  -0.099
  382   HD13  ILE  52          HD13      ILE  52   2.446  -1.781  -1.250
  383    H    TYR  53           HN       TYR  53  -0.019   0.523  -4.829
  384    HA   TYR  53           HA       TYR  53  -1.793   2.657  -4.409
  385    HD1  TYR  53           HD2      TYR  53  -0.372   4.867  -4.198
  386    HD2  TYR  53           HD1      TYR  53  -0.743   3.915  -8.327
  387    HE1  TYR  53           HE2      TYR  53  -0.838   7.231  -4.700
  388    HE2  TYR  53           HE1      TYR  53  -1.215   6.267  -8.837
  389    HH   TYR  53           HH       TYR  53  -2.190   8.276  -7.496
  390    HB2  TYR  53           HB2      TYR  53   0.600   2.719  -5.285
  391    HB3  TYR  53           HB1      TYR  53  -0.056   2.266  -6.851
  392    H    ASP  54           HN       ASP  54  -1.513   0.319  -7.036
  393    HA   ASP  54           HA       ASP  54  -3.684   1.159  -8.605
  394    HB2  ASP  54           HB2      ASP  54  -2.066  -0.379  -9.491
  395    HB3  ASP  54           HB1      ASP  54  -2.388  -1.542  -8.212
  396    H    PHE  55           HN       PHE  55  -3.459  -1.103  -5.923
  397    HA   PHE  55           HA       PHE  55  -6.044  -2.111  -5.857
  398    HD1  PHE  55           HD1      PHE  55  -6.656  -4.136  -4.041
  399    HD2  PHE  55           HD2      PHE  55  -5.085  -0.939  -1.703
  400    HE1  PHE  55           HE1      PHE  55  -8.187  -4.728  -2.209
  401    HE2  PHE  55           HE2      PHE  55  -6.617  -1.526   0.123
  402    HZ   PHE  55           HZ       PHE  55  -8.165  -3.427  -0.118
  403    HB2  PHE  55           HB2      PHE  55  -4.390  -3.087  -4.467
  404    HB3  PHE  55           HB1      PHE  55  -4.027  -1.551  -3.691
  405    H    ILE  56           HN       ILE  56  -4.736   0.708  -4.167
  406    HA   ILE  56           HA       ILE  56  -7.091   1.429  -2.840
  407    HB   ILE  56           HB       ILE  56  -4.758   3.158  -3.688
  408   HG12  ILE  56          HG12      ILE  56  -5.334   1.726  -1.086
  409   HG13  ILE  56          HG11      ILE  56  -4.185   1.184  -2.302
  410   HG21  ILE  56          HG21      ILE  56  -5.437   4.670  -1.906
  411   HG22  ILE  56          HG22      ILE  56  -6.835   3.648  -1.559
  412   HG23  ILE  56          HG23      ILE  56  -6.726   4.496  -3.101
  413   HD11  ILE  56          HD11      ILE  56  -2.877   3.222  -1.949
  414   HD12  ILE  56          HD12      ILE  56  -3.051   2.269  -0.476
  415   HD13  ILE  56          HD13      ILE  56  -4.019   3.726  -0.703
  416    H    GLU  57           HN       GLU  57  -5.808   2.342  -6.002
  417    HA   GLU  57           HA       GLU  57  -7.795   4.247  -6.670
  418    HB2  GLU  57           HB2      GLU  57  -5.601   3.957  -7.845
  419    HB3  GLU  57           HB1      GLU  57  -6.222   2.469  -8.546
  420    HG2  GLU  57           HG2      GLU  57  -6.599   3.968 -10.237
  421    HG3  GLU  57           HG1      GLU  57  -8.148   3.992  -9.394
  422    H    ASP  58           HN       ASP  58  -7.490   0.776  -7.199
  423    HA   ASP  58           HA       ASP  58  -9.641   0.358  -8.915
  424    HB2  ASP  58           HB2      ASP  58  -7.964  -1.343  -8.521
  425    HB3  ASP  58           HB1      ASP  58  -8.449  -1.481  -6.837
  426    H    GLN  59           HN       GLN  59  -9.607   0.782  -5.449
  427    HA   GLN  59           HA       GLN  59 -12.289  -0.246  -5.122
  428    HB2  GLN  59           HB2      GLN  59 -10.682   1.291  -3.087
  429    HB3  GLN  59           HB1      GLN  59 -12.024   0.195  -2.791
  430    HG2  GLN  59           HG2      GLN  59  -9.258  -0.508  -3.723
  431    HG3  GLN  59           HG1      GLN  59 -10.006  -0.905  -2.180
  432   HE21  GLN  59          HE21      GLN  59  -8.817  -2.598  -4.239
  433   HE22  GLN  59          HE22      GLN  59 -10.039  -3.738  -4.690
  434    H    GLY  60           HN       GLY  60 -11.119   2.570  -6.348
  435    HA2  GLY  60           HA2      GLY  60 -12.924   4.110  -7.066
  436    HA3  GLY  60           HA1      GLY  60 -13.497   4.052  -5.406
  437    H    GLY  61           HN       GLY  61 -10.503   4.077  -4.616
  438    HA2  GLY  61           HA2      GLY  61  -8.955   6.055  -5.348
  439    HA3  GLY  61           HA1      GLY  61 -10.279   6.995  -4.689
  440    H    LEU  62           HN       LEU  62  -8.237   7.684  -3.486
  441    HA   LEU  62           HA       LEU  62  -6.965   6.036  -1.619
  442    HG   LEU  62           HG       LEU  62  -6.308   8.427  -3.625
  443    HB2  LEU  62           HB2      LEU  62  -7.341   9.023  -1.472
  444    HB3  LEU  62           HB1      LEU  62  -6.121   8.089  -0.631
  445   HD11  LEU  62          HD11      LEU  62  -5.655  10.478  -2.491
  446   HD12  LEU  62          HD12      LEU  62  -4.300   9.786  -3.381
  447   HD13  LEU  62          HD13      LEU  62  -4.387   9.607  -1.628
  448   HD21  LEU  62          HD21      LEU  62  -4.210   7.070  -1.931
  449   HD22  LEU  62          HD22      LEU  62  -4.109   7.342  -3.670
  450   HD23  LEU  62          HD23      LEU  62  -5.348   6.271  -3.017
  451    H    GLU  63           HN       GLU  63  -9.864   7.988  -1.377
  452    HA   GLU  63           HA       GLU  63 -10.042   7.796   1.477
  453    HB2  GLU  63           HB2      GLU  63 -12.205   8.582  -0.479
  454    HB3  GLU  63           HB1      GLU  63 -12.154   8.943   1.240
  455    HG2  GLU  63           HG2      GLU  63 -10.156   9.963  -0.759
  456    HG3  GLU  63           HG1      GLU  63 -11.592  10.847  -0.250
  457    H    ALA  64           HN       ALA  64 -10.860   5.734  -1.113
  458    HA   ALA  64           HA       ALA  64 -13.299   4.665  -0.173
  459    HB1  ALA  64           HB1      ALA  64 -12.944   2.878  -1.777
  460    HB2  ALA  64           HB2      ALA  64 -11.259   3.363  -1.971
  461    HB3  ALA  64           HB3      ALA  64 -12.553   4.442  -2.493
  462    H    VAL  65           HN       VAL  65 -10.015   3.263  -0.034
  463    HA   VAL  65           HA       VAL  65 -10.905   1.104   1.641
  464    HB   VAL  65           HB       VAL  65  -8.710   0.274   1.590
  465   HG11  VAL  65          HG11      VAL  65  -9.743   0.173  -0.581
  466   HG12  VAL  65          HG12      VAL  65  -8.009   0.442  -0.761
  467   HG13  VAL  65          HG13      VAL  65  -9.137   1.781  -0.981
  468   HG21  VAL  65          HG21      VAL  65  -7.460   2.121   2.398
  469   HG22  VAL  65          HG22      VAL  65  -7.799   3.071   0.951
  470   HG23  VAL  65          HG23      VAL  65  -6.758   1.650   0.852
  471    H    ARG  66           HN       ARG  66  -9.722   4.252   2.034
  472    HA   ARG  66           HA       ARG  66  -8.763   4.176   4.687
  473    HE   ARG  66           HE       ARG  66  -7.183   8.678   5.902
  474    HB2  ARG  66           HB2      ARG  66  -8.391   5.932   2.910
  475    HB3  ARG  66           HB1      ARG  66 -10.032   6.476   3.193
  476    HG2  ARG  66           HG2      ARG  66  -9.430   7.042   5.503
  477    HG3  ARG  66           HG1      ARG  66  -7.775   6.505   5.185
  478    HD2  ARG  66           HD2      ARG  66  -7.832   8.162   3.223
  479    HD3  ARG  66           HD1      ARG  66  -9.251   8.843   4.012
  480   HH11  ARG  66          HH11      ARG  66  -7.997  10.415   2.950
  481   HH12  ARG  66          HH12      ARG  66  -7.026  11.800   3.363
  482   HH21  ARG  66          HH21      ARG  66  -5.910  10.508   6.427
  483   HH22  ARG  66          HH22      ARG  66  -5.853  11.854   5.332
  484    H    GLN  67           HN       GLN  67 -11.897   4.397   3.221
  485    HA   GLN  67           HA       GLN  67 -13.268   5.074   5.684
  486    HB2  GLN  67           HB2      GLN  67 -14.174   4.568   2.861
  487    HB3  GLN  67           HB1      GLN  67 -15.310   4.727   4.192
  488    HG2  GLN  67           HG2      GLN  67 -13.284   6.821   3.475
  489    HG3  GLN  67           HG1      GLN  67 -14.939   6.802   2.867
  490   HE21  GLN  67          HE21      GLN  67 -16.027   5.758   5.355
  491   HE22  GLN  67          HE22      GLN  67 -16.010   7.078   6.472
  492    H    GLU  68           HN       GLU  68 -12.502   2.257   3.776
  493    HA   GLU  68           HA       GLU  68 -14.569   0.569   4.651
  494    HB2  GLU  68           HB2      GLU  68 -11.780  -0.234   3.812
  495    HB3  GLU  68           HB1      GLU  68 -13.181  -1.296   3.912
  496    HG2  GLU  68           HG2      GLU  68 -14.257   0.388   2.280
  497    HG3  GLU  68           HG1      GLU  68 -12.586   0.883   1.985
  498    H    MET  69           HN       MET  69 -11.762   1.690   6.251
  499    HA   MET  69           HA       MET  69 -11.435  -0.298   8.207
  500    HB2  MET  69           HB2      MET  69 -10.972   2.673   8.272
  501    HB3  MET  69           HB1      MET  69 -10.554   1.608   9.612
  502    HG2  MET  69           HG2      MET  69  -9.153   0.294   8.064
  503    HG3  MET  69           HG1      MET  69  -9.491   1.485   6.810
  504    HE1  MET  69           HE1      MET  69  -6.787   1.438   6.652
  505    HE2  MET  69           HE2      MET  69  -6.732   0.392   8.071
  506    HE3  MET  69           HE3      MET  69  -5.740   1.854   8.016
  507    H    ARG  70           HN       ARG  70 -13.739   2.301   7.855
  508    HA   ARG  70           HA       ARG  70 -15.016   1.549  10.390
  509    HE   ARG  70           HE       ARG  70 -15.997   5.976   9.848
  510    HB2  ARG  70           HB2      ARG  70 -15.978   4.007   9.249
  511    HB3  ARG  70           HB1      ARG  70 -15.236   3.741  10.818
  512    HG2  ARG  70           HG2      ARG  70 -13.010   3.874   9.684
  513    HG3  ARG  70           HG1      ARG  70 -13.860   4.353   8.214
  514    HD2  ARG  70           HD2      ARG  70 -13.687   5.814  10.833
  515    HD3  ARG  70           HD1      ARG  70 -13.137   6.346   9.245
  516   HH11  ARG  70          HH11      ARG  70 -13.342   7.900   8.628
  517   HH12  ARG  70          HH12      ARG  70 -14.360   9.230   8.152
  518   HH21  ARG  70          HH21      ARG  70 -17.344   7.697   9.213
  519   HH22  ARG  70          HH22      ARG  70 -16.640   9.118   8.485
  520    H    ARG  71           HN       ARG  71 -15.148   0.827   7.313
  521    HA   ARG  71           HA       ARG  71 -18.015   1.191   6.852
  522    HE   ARG  71           HE       ARG  71 -18.765   1.417   1.570
  523    HB2  ARG  71           HB2      ARG  71 -16.168   1.677   5.121
  524    HB3  ARG  71           HB1      ARG  71 -16.070  -0.071   4.957
  525    HG2  ARG  71           HG2      ARG  71 -18.618   0.071   4.607
  526    HG3  ARG  71           HG1      ARG  71 -18.303   1.771   4.258
  527    HD2  ARG  71           HD2      ARG  71 -16.648   1.093   2.560
  528    HD3  ARG  71           HD1      ARG  71 -17.060  -0.596   2.859
  529   HH11  ARG  71          HH11      ARG  71 -18.195  -1.904   2.543
  530   HH12  ARG  71          HH12      ARG  71 -19.455  -2.543   1.534
  531   HH21  ARG  71          HH21      ARG  71 -20.409   0.573   0.236
  532   HH22  ARG  71          HH22      ARG  71 -20.725  -1.136   0.227
  533    H    GLN  72           HN       GLN  72 -15.621  -1.390   6.475
  534    HA   GLN  72           HA       GLN  72 -17.632  -3.394   7.066
  535    HB2  GLN  72           HB2      GLN  72 -14.737  -3.514   6.289
  536    HB3  GLN  72           HB1      GLN  72 -15.516  -4.922   6.994
  537    HG2  GLN  72           HG2      GLN  72 -15.687  -5.273   4.713
  538    HG3  GLN  72           HG1      GLN  72 -17.269  -4.639   5.155
  539   HE21  GLN  72          HE21      GLN  72 -14.272  -3.999   3.551
  540   HE22  GLN  72          HE22      GLN  72 -14.799  -2.614   2.650
  541    H1   GLY  73           HT1      GLY  73  -5.729 -18.091   6.377
  542    H2   GLY  73           HT2      GLY  73  -4.102 -17.646   6.212
  543    H3   GLY  73           HT3      GLY  73  -4.670 -19.058   5.472
  544    HA2  GLY  73           HA1      GLY  73  -4.428 -17.386   3.804
  545    HA3  GLY  73           HA2      GLY  73  -6.133 -17.730   4.051
  546    H    HIS  74           HN       HIS  74  -5.952 -15.508   2.879
  547    HA   HIS  74           HA       HIS  74  -5.518 -13.311   4.732
  548    HD1  HIS  74           HD1      HIS  74  -5.744 -15.161   0.954
  549    HD2  HIS  74           HD2      HIS  74  -7.811 -11.541   0.943
  550    HE1  HIS  74           HE1      HIS  74  -7.299 -15.273  -1.018
  551    HE2  HIS  74           HE2      HIS  74  -8.422 -13.020  -1.098
  552    HB2  HIS  74           HB2      HIS  74  -5.888 -11.837   2.814
  553    HB3  HIS  74           HB1      HIS  74  -4.697 -13.068   2.429
  554    H    MET  75           HN       MET  75  -7.129 -13.479   6.237
  555    HA   MET  75           HA       MET  75  -9.854 -13.042   5.224
  556    HB2  MET  75           HB2      MET  75 -10.704 -14.431   7.123
  557    HB3  MET  75           HB1      MET  75  -9.812 -15.334   5.909
  558    HG2  MET  75           HG2      MET  75  -7.841 -15.327   7.355
  559    HG3  MET  75           HG1      MET  75  -8.745 -14.432   8.575
  560    HE1  MET  75           HE1      MET  75  -7.237 -17.053   9.318
  561    HE2  MET  75           HE2      MET  75  -8.451 -17.912  10.265
  562    HE3  MET  75           HE3      MET  75  -8.250 -16.171  10.458
  563    H    LEU  76           HN       LEU  76  -9.324 -10.834   5.563
  564    HA   LEU  76           HA       LEU  76  -9.290  -9.958   8.357
  565    HG   LEU  76           HG       LEU  76  -6.717  -7.722   6.923
  566    HB2  LEU  76           HB2      LEU  76  -8.666  -8.604   5.747
  567    HB3  LEU  76           HB1      LEU  76  -9.130  -7.643   7.140
  568   HD11  LEU  76          HD11      LEU  76  -7.661  -7.568   9.163
  569   HD12  LEU  76          HD12      LEU  76  -6.146  -8.472   9.176
  570   HD13  LEU  76          HD13      LEU  76  -7.684  -9.327   9.284
  571   HD21  LEU  76          HD21      LEU  76  -6.462  -9.846   5.779
  572   HD22  LEU  76          HD22      LEU  76  -7.006 -10.708   7.220
  573   HD23  LEU  76          HD23      LEU  76  -5.484  -9.817   7.246
  574    HA   PRO  77           HA       PRO  77 -13.576  -8.858   8.070
  575    HB2  PRO  77           HB2      PRO  77 -13.795  -7.248  10.183
  576    HB3  PRO  77           HB1      PRO  77 -13.416  -8.964  10.389
  577    HG2  PRO  77           HG2      PRO  77 -11.572  -6.604  10.425
  578    HG3  PRO  77           HG1      PRO  77 -11.629  -7.992  11.527
  579    HD2  PRO  77           HD2      PRO  77  -9.876  -7.776   9.426
  580    HD3  PRO  77           HD1      PRO  77 -10.429  -9.325  10.099
  581    H    ASP  78           HN       ASP  78 -11.293  -7.098   6.822
  582    HA   ASP  78           HA       ASP  78 -12.978  -4.835   6.170
  583    HB2  ASP  78           HB2      ASP  78 -11.321  -3.172   6.828
  584    HB3  ASP  78           HB1      ASP  78 -11.797  -4.134   8.226
  585    H    VAL  79           HN       VAL  79 -11.085  -3.248   4.995
  586    HA   VAL  79           HA       VAL  79 -10.866  -4.388   2.463
  587    HB   VAL  79           HB       VAL  79 -11.014  -2.039   2.596
  588   HG11  VAL  79          HG11      VAL  79  -9.461  -0.593   3.706
  589   HG12  VAL  79          HG12      VAL  79  -8.447  -1.967   4.151
  590   HG13  VAL  79          HG13      VAL  79 -10.057  -1.793   4.855
  591   HG21  VAL  79          HG21      VAL  79  -9.089  -1.210   1.363
  592   HG22  VAL  79          HG22      VAL  79  -9.602  -2.794   0.762
  593   HG23  VAL  79          HG23      VAL  79  -8.175  -2.658   1.799
  594    H    ALA  80           HN       ALA  80  -8.621  -4.483   5.138
  595    HA   ALA  80           HA       ALA  80  -6.173  -4.668   3.898
  596    HB1  ALA  80           HB1      ALA  80  -6.351  -4.513   6.261
  597    HB2  ALA  80           HB2      ALA  80  -5.436  -5.971   5.860
  598    HB3  ALA  80           HB3      ALA  80  -7.126  -6.096   6.362
  599    H    GLN  81           HN       GLN  81  -8.564  -7.276   4.211
  600    HA   GLN  81           HA       GLN  81  -6.725  -9.324   3.451
  601    HB2  GLN  81           HB2      GLN  81  -8.642 -10.789   3.219
  602    HB3  GLN  81           HB1      GLN  81  -8.814  -9.832   4.684
  603    HG2  GLN  81           HG2      GLN  81 -10.609  -8.685   3.893
  604    HG3  GLN  81           HG1      GLN  81 -10.084  -8.799   2.212
  605   HE21  GLN  81          HE21      GLN  81 -11.766 -10.379   4.813
  606   HE22  GLN  81          HE22      GLN  81 -12.492 -11.618   3.845
  607    H    ARG  82           HN       ARG  82  -8.887  -7.213   1.728
  608    HA   ARG  82           HA       ARG  82  -8.864  -8.607  -0.744
  609    HE   ARG  82           HE       ARG  82 -12.687  -6.278  -1.205
  610    HB2  ARG  82           HB2      ARG  82 -10.559  -6.892   0.004
  611    HB3  ARG  82           HB1      ARG  82  -9.348  -5.654  -0.322
  612    HG2  ARG  82           HG2      ARG  82  -9.254  -6.483  -2.670
  613    HG3  ARG  82           HG1      ARG  82 -10.613  -7.544  -2.299
  614    HD2  ARG  82           HD2      ARG  82 -10.550  -4.535  -2.264
  615    HD3  ARG  82           HD1      ARG  82 -11.503  -5.582  -3.313
  616   HH11  ARG  82          HH11      ARG  82 -11.136  -3.168  -1.542
  617   HH12  ARG  82          HH12      ARG  82 -12.117  -2.376  -0.343
  618   HH21  ARG  82          HH21      ARG  82 -14.028  -5.241   0.370
  619   HH22  ARG  82          HH22      ARG  82 -13.777  -3.546   0.718
  620    H    LEU  83           HN       LEU  83  -6.624  -6.698   0.874
  621    HA   LEU  83           HA       LEU  83  -5.325  -5.636  -1.477
  622    HG   LEU  83           HG       LEU  83  -2.556  -5.263   0.350
  623    HB2  LEU  83           HB2      LEU  83  -5.393  -4.248   0.465
  624    HB3  LEU  83           HB1      LEU  83  -4.695  -5.508   1.463
  625   HD11  LEU  83          HD11      LEU  83  -3.343  -4.707  -1.888
  626   HD12  LEU  83          HD12      LEU  83  -2.171  -3.524  -1.311
  627   HD13  LEU  83          HD13      LEU  83  -3.892  -3.134  -1.309
  628   HD21  LEU  83          HD21      LEU  83  -1.934  -3.275   1.353
  629   HD22  LEU  83          HD22      LEU  83  -3.418  -3.691   2.215
  630   HD23  LEU  83          HD23      LEU  83  -3.452  -2.473   0.939
  631    H    MET  84           HN       MET  84  -4.618  -8.072   1.029
  632    HA   MET  84           HA       MET  84  -2.079  -8.795   0.064
  633    HB2  MET  84           HB2      MET  84  -4.139 -10.183   1.729
  634    HB3  MET  84           HB1      MET  84  -2.758 -11.098   1.136
  635    HG2  MET  84           HG2      MET  84  -1.244  -9.534   2.215
  636    HG3  MET  84           HG1      MET  84  -2.616  -8.591   2.789
  637    HE1  MET  84           HE1      MET  84  -4.725 -10.581   3.721
  638    HE2  MET  84           HE2      MET  84  -4.174  -9.260   4.753
  639    HE3  MET  84           HE3      MET  84  -4.275 -10.900   5.396
  640    H    GLN  85           HN       GLN  85  -5.297  -9.837  -0.854
  641    HA   GLN  85           HA       GLN  85  -4.437 -11.920  -2.588
  642    HB2  GLN  85           HB2      GLN  85  -6.592 -12.320  -2.039
  643    HB3  GLN  85           HB1      GLN  85  -6.944 -10.620  -1.775
  644    HG2  GLN  85           HG2      GLN  85  -7.231 -10.282  -4.133
  645    HG3  GLN  85           HG1      GLN  85  -6.801 -11.963  -4.462
  646   HE21  GLN  85          HE21      GLN  85  -9.284 -10.491  -5.038
  647   HE22  GLN  85          HE22      GLN  85 -10.544 -11.388  -4.258
  648    H    HIS  86           HN       HIS  86  -5.278  -8.527  -2.960
  649    HA   HIS  86           HA       HIS  86  -5.228  -8.381  -5.768
  650    HD1  HIS  86           HD1      HIS  86  -7.029  -5.944  -6.542
  651    HD2  HIS  86           HD2      HIS  86  -3.182  -4.619  -5.636
  652    HE1  HIS  86           HE1      HIS  86  -6.480  -4.205  -8.277
  653    HE2  HIS  86           HE2      HIS  86  -4.103  -3.539  -7.822
  654    HB2  HIS  86           HB2      HIS  86  -6.156  -6.661  -4.211
  655    HB3  HIS  86           HB1      HIS  86  -4.512  -6.214  -3.782
  656    H    LEU  87           HN       LEU  87  -2.711  -8.382  -3.372
  657    HA   LEU  87           HA       LEU  87  -0.650  -7.557  -5.233
  658    HG   LEU  87           HG       LEU  87  -1.568  -6.281  -2.705
  659    HB2  LEU  87           HB2      LEU  87  -0.504  -8.562  -2.395
  660    HB3  LEU  87           HB1      LEU  87   0.860  -7.958  -3.318
  661   HD11  LEU  87          HD11      LEU  87  -0.253  -5.292  -0.909
  662   HD12  LEU  87          HD12      LEU  87   1.041  -6.454  -1.209
  663   HD13  LEU  87          HD13      LEU  87  -0.529  -7.012  -0.624
  664   HD21  LEU  87          HD21      LEU  87   0.002  -5.693  -4.623
  665   HD22  LEU  87          HD22      LEU  87   1.231  -5.421  -3.385
  666   HD23  LEU  87          HD23      LEU  87  -0.242  -4.452  -3.389
  667    H    ALA  88           HN       ALA  88  -1.544 -10.455  -3.425
  668    HA   ALA  88           HA       ALA  88   0.472 -12.179  -4.153
  669    HB1  ALA  88           HB1      ALA  88  -2.438 -12.889  -3.810
  670    HB2  ALA  88           HB2      ALA  88  -1.259 -12.714  -2.508
  671    HB3  ALA  88           HB3      ALA  88  -1.075 -14.003  -3.699
  672    H    GLU  89           HN       GLU  89  -2.426 -11.366  -6.017
  673    HA   GLU  89           HA       GLU  89  -2.166 -13.285  -8.038
  674    HB2  GLU  89           HB2      GLU  89  -3.304 -10.500  -8.225
  675    HB3  GLU  89           HB1      GLU  89  -3.533 -11.775  -9.411
  676    HG2  GLU  89           HG2      GLU  89  -4.393 -11.998  -6.544
  677    HG3  GLU  89           HG1      GLU  89  -5.436 -11.414  -7.839
  678    H    HIS  90           HN       HIS  90  -0.384 -10.337  -7.514
  679    HA   HIS  90           HA       HIS  90   0.541 -10.361 -10.303
  680    HD1  HIS  90           HD1      HIS  90  -0.048  -7.820 -11.898
  681    HD2  HIS  90           HD2      HIS  90  -2.167  -7.793  -8.320
  682    HE1  HIS  90           HE1      HIS  90  -2.336  -6.957 -12.471
  683    HE2  HIS  90           HE2      HIS  90  -3.499  -6.700 -10.253
  684    HB2  HIS  90           HB2      HIS  90   0.575  -8.190  -8.215
  685    HB3  HIS  90           HB1      HIS  90   1.421  -8.054  -9.750
  686    H    GLY  91           HN       GLY  91   1.553 -11.594  -7.445
  687    HA2  GLY  91           HA2      GLY  91   3.557 -12.733  -7.120
  688    HA3  GLY  91           HA1      GLY  91   4.223 -11.905  -8.517
  689    H    ILE  92           HN       ILE  92   2.743 -10.111  -5.926
  690    HA   ILE  92           HA       ILE  92   4.959  -8.536  -5.348
  691    HB   ILE  92           HB       ILE  92   2.344  -9.086  -4.056
  692   HG12  ILE  92          HG12      ILE  92   2.297  -6.557  -4.180
  693   HG13  ILE  92          HG11      ILE  92   3.846  -6.671  -5.003
  694   HG21  ILE  92          HG21      ILE  92   2.824  -7.674  -2.127
  695   HG22  ILE  92          HG22      ILE  92   4.519  -7.588  -2.607
  696   HG23  ILE  92          HG23      ILE  92   3.820  -9.131  -2.118
  697   HD11  ILE  92          HD11      ILE  92   1.267  -7.857  -5.954
  698   HD12  ILE  92          HD12      ILE  92   2.824  -7.975  -6.773
  699   HD13  ILE  92          HD13      ILE  92   2.045  -6.404  -6.580
  700    H    GLN  93           HN       GLN  93   6.543  -8.597  -3.790
  701    HA   GLN  93           HA       GLN  93   7.074 -11.234  -2.646
  702    HB2  GLN  93           HB2      GLN  93   8.837  -9.993  -3.952
  703    HB3  GLN  93           HB1      GLN  93   8.869  -8.799  -2.663
  704    HG2  GLN  93           HG2      GLN  93  10.646 -10.157  -2.116
  705    HG3  GLN  93           HG1      GLN  93   9.351 -10.823  -1.124
  706   HE21  GLN  93          HE21      GLN  93   8.105 -12.059  -3.539
  707   HE22  GLN  93          HE22      GLN  93   9.068 -13.455  -3.876
  708    HA   PRO  94           HA       PRO  94   5.505  -9.505   1.205
  709    HB2  PRO  94           HB2      PRO  94   5.468 -11.829   2.584
  710    HB3  PRO  94           HB1      PRO  94   4.233 -11.413   1.390
  711    HG2  PRO  94           HG2      PRO  94   6.607 -13.209   1.114
  712    HG3  PRO  94           HG1      PRO  94   4.959 -13.428   0.502
  713    HD2  PRO  94           HD2      PRO  94   7.045 -12.560  -1.036
  714    HD3  PRO  94           HD1      PRO  94   5.350 -12.146  -1.353
  715    H    ALA  95           HN       ALA  95   6.482  -8.800   3.058
  716    HA   ALA  95           HA       ALA  95   9.271  -9.633   3.456
  717    HB1  ALA  95           HB1      ALA  95   7.907  -7.124   4.427
  718    HB2  ALA  95           HB2      ALA  95   8.903  -7.243   2.976
  719    HB3  ALA  95           HB3      ALA  95   9.624  -7.507   4.564
  720    H    ARG  96           HN       ARG  96   6.292 -10.198   4.622
  721    HA   ARG  96           HA       ARG  96   5.403 -11.118   6.486
  722    HE   ARG  96           HE       ARG  96   6.652 -15.227   4.824
  723    HB2  ARG  96           HB2      ARG  96   8.294 -11.641   7.181
  724    HB3  ARG  96           HB1      ARG  96   6.926 -12.289   8.070
  725    HG2  ARG  96           HG2      ARG  96   7.493 -12.821   5.165
  726    HG3  ARG  96           HG1      ARG  96   7.926 -13.898   6.495
  727    HD2  ARG  96           HD2      ARG  96   5.510 -13.988   7.105
  728    HD3  ARG  96           HD1      ARG  96   5.157 -13.059   5.649
  729   HH11  ARG  96          HH11      ARG  96   3.530 -14.664   6.321
  730   HH12  ARG  96          HH12      ARG  96   2.856 -16.170   5.762
  731   HH21  ARG  96          HH21      ARG  96   5.772 -17.193   4.098
  732   HH22  ARG  96          HH22      ARG  96   4.121 -17.588   4.472
  733    H    ASN  97           HN       ASN  97   8.320 -10.012   8.131
  734    HA   ASN  97           HA       ASN  97   6.972  -7.692   9.218
  735    HB2  ASN  97           HB2      ASN  97   7.508  -8.393  11.586
  736    HB3  ASN  97           HB1      ASN  97   6.203  -9.289  10.819
  737   HD21  ASN  97          HD21      ASN  97   6.484 -11.436  10.325
  738   HD22  ASN  97          HD22      ASN  97   7.806 -12.375  10.935
  739    H    MET  98           HN       MET  98   9.363  -8.489   7.586
  740    HA   MET  98           HA       MET  98  11.607  -7.641   9.193
  741    HB2  MET  98           HB2      MET  98  11.358  -8.108   6.217
  742    HB3  MET  98           HB1      MET  98  12.860  -7.715   7.040
  743    HG2  MET  98           HG2      MET  98  11.185 -10.185   7.433
  744    HG3  MET  98           HG1      MET  98  12.745 -10.080   6.617
  745    HE1  MET  98           HE1      MET  98  13.634 -12.084   9.850
  746    HE2  MET  98           HE2      MET  98  13.668 -12.062   8.086
  747    HE3  MET  98           HE3      MET  98  12.129 -12.189   8.938
  748    H    ALA  99           HN       ALA  99  11.876  -5.598   9.731
  749    HA   ALA  99           HA       ALA  99  10.691  -3.506   8.061
  750    HB1  ALA  99           HB1      ALA  99  10.941  -2.064  10.010
  751    HB2  ALA  99           HB2      ALA  99  11.764  -3.362  10.874
  752    HB3  ALA  99           HB3      ALA  99  10.068  -3.541  10.424
  753    H    GLU 100           HN       GLU 100  12.111  -1.347   8.675
  754    HA   GLU 100           HA       GLU 100  13.897  -0.095   8.136
  755    HB2  GLU 100           HB2      GLU 100  15.343  -2.667   8.624
  756    HB3  GLU 100           HB1      GLU 100  16.183  -1.242   8.023
  757    HG2  GLU 100           HG2      GLU 100  16.485  -0.967  10.248
  758    HG3  GLU 100           HG1      GLU 100  14.985  -0.082  10.037
  759    H    HIS 101           HN       HIS 101  15.584   0.241   6.427
  760    HA   HIS 101           HA       HIS 101  14.928  -1.199   3.939
  761    HD1  HIS 101           HD1      HIS 101  12.120   0.096   2.738
  762    HD2  HIS 101           HD2      HIS 101  13.276   2.180   6.144
  763    HE1  HIS 101           HE1      HIS 101  10.011   0.470   4.047
  764    HE2  HIS 101           HE2      HIS 101  10.763   1.579   6.196
  765    HB2  HIS 101           HB2      HIS 101  15.142   1.820   4.078
  766    HB3  HIS 101           HB1      HIS 101  14.588   0.842   2.723
  767    H    ILE 102           HN       ILE 102  17.138  -1.460   5.644
  768    HA   ILE 102           HA       ILE 102  19.293   0.266   4.960
  769    HB   ILE 102           HB       ILE 102  19.345  -2.426   6.337
  770   HG12  ILE 102          HG12      ILE 102  19.325   0.356   7.531
  771   HG13  ILE 102          HG11      ILE 102  17.930  -0.717   7.462
  772   HG21  ILE 102          HG21      ILE 102  21.529  -1.838   5.485
  773   HG22  ILE 102          HG22      ILE 102  21.506  -1.666   7.240
  774   HG23  ILE 102          HG23      ILE 102  21.413  -0.235   6.212
  775   HD11  ILE 102          HD11      ILE 102  18.975  -0.742   9.657
  776   HD12  ILE 102          HD12      ILE 102  20.497  -1.268   8.935
  777   HD13  ILE 102          HD13      ILE 102  19.084  -2.322   8.879
  778    HA   PRO 103           HA       PRO 103  20.787  -2.230   1.519
  779    HB2  PRO 103           HB2      PRO 103  22.190  -0.033   0.488
  780    HB3  PRO 103           HB1      PRO 103  20.586  -0.564  -0.019
  781    HG2  PRO 103           HG2      PRO 103  21.239   1.843   1.313
  782    HG3  PRO 103           HG1      PRO 103  19.619   1.214   0.986
  783    HD2  PRO 103           HD2      PRO 103  21.226   1.101   3.479
  784    HD3  PRO 103           HD1      PRO 103  19.462   1.133   3.269
  785    HA   PRO 104           HA       PRO 104  24.603  -2.503   3.867
  786    HB2  PRO 104           HB2      PRO 104  24.983  -5.155   3.492
  787    HB3  PRO 104           HB1      PRO 104  23.790  -4.506   4.621
  788    HG2  PRO 104           HG2      PRO 104  23.381  -5.848   2.041
  789    HG3  PRO 104           HG1      PRO 104  22.242  -5.601   3.372
  790    HD2  PRO 104           HD2      PRO 104  22.489  -4.102   0.916
  791    HD3  PRO 104           HD1      PRO 104  21.287  -3.913   2.208
  792    H    ALA 105           HN       ALA 105  26.639  -2.121   3.284
  793    HA   ALA 105           HA       ALA 105  27.530  -2.673   0.572
  794    HB1  ALA 105           HB1      ALA 105  29.003  -1.418   2.894
  795    HB2  ALA 105           HB2      ALA 105  28.134  -0.546   1.630
  796    HB3  ALA 105           HB3      ALA 105  29.567  -1.489   1.224
  797    HA   PRO 106           HA       PRO 106  28.886  -6.664   1.936
  798    HB2  PRO 106           HB2      PRO 106  29.831  -7.560  -0.423
  799    HB3  PRO 106           HB1      PRO 106  28.104  -7.366  -0.108
  800    HG2  PRO 106           HG2      PRO 106  29.970  -5.571  -1.605
  801    HG3  PRO 106           HG1      PRO 106  28.307  -6.039  -2.003
  802    HD2  PRO 106           HD2      PRO 106  28.984  -3.658  -0.839
  803    HD3  PRO 106           HD1      PRO 106  27.406  -4.442  -0.632
  804    H    ASN 107           HN       ASN 107  30.662  -4.755   2.800
  805    HA   ASN 107           HA       ASN 107  32.785  -4.537   3.560
  806    HB2  ASN 107           HB2      ASN 107  32.461  -6.971   4.049
  807    HB3  ASN 107           HB1      ASN 107  33.221  -7.338   2.506
  808   HD21  ASN 107          HD21      ASN 107  34.017  -8.052   5.225
  809   HD22  ASN 107          HD22      ASN 107  35.620  -7.441   5.425
  810    H    TRP 108           HN       TRP 108  33.572  -2.935   2.282
  811    HA   TRP 108           HA       TRP 108  34.681  -3.592  -0.316
  812    HD1  TRP 108           HD1      TRP 108  32.552  -0.799   2.297
  813    HE1  TRP 108           HE1      TRP 108  33.420   0.987   3.944
  814    HE3  TRP 108           HE3      TRP 108  37.205  -0.047   0.304
  815    HZ2  TRP 108           HZ2      TRP 108  35.765   2.502   4.335
  816    HZ3  TRP 108           HZ3      TRP 108  38.693   1.590   1.370
  817    HH2  TRP 108           HH2      TRP 108  37.988   2.841   3.347
  818    HB2  TRP 108           HB2      TRP 108  35.111  -1.174  -0.542
  819    HB3  TRP 108           HB1      TRP 108  33.429  -1.519  -0.170
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   0.309  24.190   2.668
    2    H2   GLY   1           HT2      GLY   1  -0.406  22.658   2.643
    3    H3   GLY   1           HT3      GLY   1  -1.372  24.033   2.844
    4    HA2  GLY   1           HA1      GLY   1  -0.715  24.790   0.605
    5    HA3  GLY   1           HA2      GLY   1   0.142  23.265   0.409
    6    H    HIS   2           HN       HIS   2  -1.959  24.119  -1.281
    7    HA   HIS   2           HA       HIS   2  -3.982  22.089  -0.633
    8    HD1  HIS   2           HD1      HIS   2  -3.575  26.377  -0.457
    9    HD2  HIS   2           HD2      HIS   2  -5.411  25.014  -3.931
   10    HE1  HIS   2           HE1      HIS   2  -3.379  28.262  -2.115
   11    HE2  HIS   2           HE2      HIS   2  -4.674  27.488  -4.135
   12    HB2  HIS   2           HB2      HIS   2  -5.748  23.543  -1.576
   13    HB3  HIS   2           HB1      HIS   2  -5.006  24.236  -0.140
   14    H    MET   3           HN       MET   3  -4.104  20.611  -2.119
   15    HA   MET   3           HA       MET   3  -3.984  21.408  -4.935
   16    HB2  MET   3           HB2      MET   3  -2.627  18.988  -3.727
   17    HB3  MET   3           HB1      MET   3  -2.896  19.199  -5.451
   18    HG2  MET   3           HG2      MET   3  -1.554  21.298  -5.325
   19    HG3  MET   3           HG1      MET   3  -1.174  20.885  -3.654
   20    HE1  MET   3           HE1      MET   3  -1.009  17.647  -3.967
   21    HE2  MET   3           HE2      MET   3   0.083  18.609  -2.970
   22    HE3  MET   3           HE3      MET   3   0.736  17.467  -4.144
   23    H    SER   4           HN       SER   4  -6.248  21.448  -4.740
   24    HA   SER   4           HA       SER   4  -7.715  19.238  -3.720
   25    HG   SER   4           HG       SER   4  -8.058  21.195  -2.685
   26    HB2  SER   4           HB2      SER   4  -8.633  21.587  -5.386
   27    HB3  SER   4           HB1      SER   4  -9.684  20.483  -4.493
   28    H    GLY   5           HN       GLY   5  -6.833  17.497  -4.963
   29    HA2  GLY   5           HA2      GLY   5  -7.931  17.281  -7.679
   30    HA3  GLY   5           HA1      GLY   5  -6.768  16.178  -6.946
   31    H    PHE   6           HN       PHE   6  -8.008  14.341  -7.382
   32    HA   PHE   6           HA       PHE   6 -10.504  14.189  -5.851
   33    HD1  PHE   6           HD1      PHE   6  -9.181  14.710  -9.397
   34    HD2  PHE   6           HD2      PHE   6  -9.716  10.590  -8.469
   35    HE1  PHE   6           HE1      PHE   6  -7.725  14.103 -11.282
   36    HE2  PHE   6           HE2      PHE   6  -8.254   9.979 -10.353
   37    HZ   PHE   6           HZ       PHE   6  -7.257  11.734 -11.761
   38    HB2  PHE   6           HB2      PHE   6 -10.994  12.171  -7.372
   39    HB3  PHE   6           HB1      PHE   6 -11.173  13.786  -8.037
   40    H    LYS   7           HN       LYS   7 -10.734  11.338  -5.849
   41    HA   LYS   7           HA       LYS   7  -9.354  10.967  -3.419
   42    HB2  LYS   7           HB2      LYS   7 -11.040   9.174  -5.124
   43    HB3  LYS   7           HB1      LYS   7 -10.238   8.554  -3.685
   44    HG2  LYS   7           HG2      LYS   7 -11.394  10.196  -2.313
   45    HG3  LYS   7           HG1      LYS   7 -12.163  10.870  -3.751
   46    HD2  LYS   7           HD2      LYS   7 -13.374   8.841  -4.129
   47    HD3  LYS   7           HD1      LYS   7 -12.487   8.014  -2.847
   48    HE2  LYS   7           HE2      LYS   7 -14.738   8.689  -2.130
   49    HE3  LYS   7           HE1      LYS   7 -13.476   9.470  -1.181
   50    HZ1  LYS   7           HZ1      LYS   7 -15.293  10.979  -1.825
   51    HZ2  LYS   7           HZ2      LYS   7 -14.898  10.749  -3.456
   52    HZ3  LYS   7           HZ3      LYS   7 -13.789  11.491  -2.413
   53    H    HIS   8           HN       HIS   8  -8.336  10.299  -6.642
   54    HA   HIS   8           HA       HIS   8  -5.890   9.164  -5.524
   55    HD1  HIS   8           HD1      HIS   8  -9.443   7.263  -7.399
   56    HD2  HIS   8           HD2      HIS   8  -6.240   8.143  -9.898
   57    HE1  HIS   8           HE1      HIS   8 -10.362   7.163  -9.738
   58    HE2  HIS   8           HE2      HIS   8  -8.352   7.437 -11.229
   59    HB2  HIS   8           HB2      HIS   8  -5.747   7.397  -7.210
   60    HB3  HIS   8           HB1      HIS   8  -7.184   7.198  -6.222
   61    H    VAL   9           HN       VAL   9  -4.119   9.087  -7.296
   62    HA   VAL   9           HA       VAL   9  -2.933  10.058  -8.994
   63    HB   VAL   9           HB       VAL   9  -5.499  11.536  -9.577
   64   HG11  VAL   9          HG11      VAL   9  -3.585  13.038 -10.008
   65   HG12  VAL   9          HG12      VAL   9  -4.406  12.560 -11.492
   66   HG13  VAL   9          HG13      VAL   9  -2.876  11.804 -11.050
   67   HG21  VAL   9          HG21      VAL   9  -5.397  10.276 -11.671
   68   HG22  VAL   9          HG22      VAL   9  -5.391   9.199 -10.275
   69   HG23  VAL   9          HG23      VAL   9  -3.892   9.524 -11.147
   70    H    SER  10           HN       SER  10  -4.963  12.190  -7.046
   71    HA   SER  10           HA       SER  10  -3.227  14.212  -6.418
   72    HG   SER  10           HG       SER  10  -6.559  13.662  -5.235
   73    HB2  SER  10           HB2      SER  10  -4.922  12.568  -4.507
   74    HB3  SER  10           HB1      SER  10  -4.251  14.162  -4.153
   75    H    HIS  11           HN       HIS  11  -1.222  14.273  -5.559
   76    HA   HIS  11           HA       HIS  11   0.270  11.913  -5.554
   77    HD1  HIS  11           HD1      HIS  11   0.278  15.537  -7.008
   78    HD2  HIS  11           HD2      HIS  11   3.149  12.530  -6.952
   79    HE1  HIS  11           HE1      HIS  11   1.237  15.469  -9.333
   80    HE2  HIS  11           HE2      HIS  11   2.864  13.539  -9.313
   81    HB2  HIS  11           HB2      HIS  11   0.904  14.699  -4.627
   82    HB3  HIS  11           HB1      HIS  11   2.087  13.397  -4.517
   83    H    VAL  12           HN       VAL  12  -0.644  10.451  -4.199
   84    HA   VAL  12           HA       VAL  12  -1.137  10.570  -1.495
   85    HB   VAL  12           HB       VAL  12   0.203   8.238  -2.835
   86   HG11  VAL  12          HG11      VAL  12  -0.033   8.016  -0.427
   87   HG12  VAL  12          HG12      VAL  12  -1.086   6.880  -1.271
   88   HG13  VAL  12          HG13      VAL  12  -1.762   8.345  -0.557
   89   HG21  VAL  12          HG21      VAL  12  -1.562   8.854  -4.294
   90   HG22  VAL  12          HG22      VAL  12  -2.674   9.085  -2.947
   91   HG23  VAL  12          HG23      VAL  12  -2.114   7.463  -3.362
   92    H    GLY  13           HN       GLY  13   1.935  10.383  -3.131
   93    HA2  GLY  13           HA2      GLY  13   3.984  10.979  -1.955
   94    HA3  GLY  13           HA1      GLY  13   3.319  10.183  -0.529
   95    H    TRP  14           HN       TRP  14   3.192   9.048  -3.842
   96    HA   TRP  14           HA       TRP  14   4.869   6.760  -3.084
   97    HD1  TRP  14           HD1      TRP  14   4.324   3.726  -3.394
   98    HE1  TRP  14           HE1      TRP  14   4.527   2.128  -5.402
   99    HE3  TRP  14           HE3      TRP  14   2.003   6.580  -6.934
  100    HZ2  TRP  14           HZ2      TRP  14   3.783   2.079  -8.121
  101    HZ3  TRP  14           HZ3      TRP  14   1.778   5.680  -9.215
  102    HH2  TRP  14           HH2      TRP  14   2.653   3.476  -9.790
  103    HB2  TRP  14           HB2      TRP  14   2.664   5.885  -3.020
  104    HB3  TRP  14           HB1      TRP  14   2.190   6.754  -4.476
  105    H    ASP  15           HN       ASP  15   6.483   6.381  -4.436
  106    HA   ASP  15           HA       ASP  15   6.367   7.555  -7.129
  107    HB2  ASP  15           HB2      ASP  15   8.718   6.773  -5.398
  108    HB3  ASP  15           HB1      ASP  15   8.880   7.183  -7.102
  109    HA   PRO  16           HA       PRO  16   5.478   3.587  -8.757
  110    HB2  PRO  16           HB2      PRO  16   7.037   4.566 -11.096
  111    HB3  PRO  16           HB1      PRO  16   5.398   3.905 -11.030
  112    HG2  PRO  16           HG2      PRO  16   5.782   6.513 -11.332
  113    HG3  PRO  16           HG1      PRO  16   4.485   5.910 -10.282
  114    HD2  PRO  16           HD2      PRO  16   7.146   7.049  -9.546
  115    HD3  PRO  16           HD1      PRO  16   5.571   7.258  -8.754
  116    H    GLN  17           HN       GLN  17   8.770   4.761  -8.735
  117    HA   GLN  17           HA       GLN  17   9.793   2.033  -9.143
  118    HB2  GLN  17           HB2      GLN  17  10.726   3.756 -10.577
  119    HB3  GLN  17           HB1      GLN  17  11.194   4.704  -9.174
  120    HG2  GLN  17           HG2      GLN  17  12.712   2.869  -8.502
  121    HG3  GLN  17           HG1      GLN  17  12.304   2.031  -9.999
  122   HE21  GLN  17          HE21      GLN  17  12.612   5.497  -9.760
  123   HE22  GLN  17          HE22      GLN  17  14.052   5.629 -10.707
  124    H    ASN  18           HN       ASN  18   9.755   4.705  -6.864
  125    HA   ASN  18           HA       ASN  18  11.731   3.443  -5.156
  126    HB2  ASN  18           HB2      ASN  18  11.899   5.826  -5.480
  127    HB3  ASN  18           HB1      ASN  18  10.240   6.061  -4.945
  128   HD21  ASN  18          HD21      ASN  18   9.785   6.098  -2.787
  129   HD22  ASN  18          HD22      ASN  18  11.006   6.125  -1.560
  130    H    GLY  19           HN       GLY  19   8.274   4.046  -5.167
  131    HA2  GLY  19           HA2      GLY  19   6.844   2.517  -3.967
  132    HA3  GLY  19           HA1      GLY  19   8.081   2.418  -2.722
  133    H    PHE  20           HN       PHE  20   6.180   2.864  -1.351
  134    HA   PHE  20           HA       PHE  20   5.020   5.487  -1.368
  135    HD1  PHE  20           HD2      PHE  20   2.280   5.542  -0.251
  136    HD2  PHE  20           HD1      PHE  20   3.927   1.678  -0.949
  137    HE1  PHE  20           HE2      PHE  20   0.200   4.864  -1.369
  138    HE2  PHE  20           HE1      PHE  20   1.846   0.991  -2.065
  139    HZ   PHE  20           HZ       PHE  20  -0.025   2.589  -2.278
  140    HB2  PHE  20           HB2      PHE  20   4.964   3.198   0.592
  141    HB3  PHE  20           HB1      PHE  20   4.239   4.753   0.972
  142    H    ASP  21           HN       ASP  21   5.442   7.190   0.000
  143    HA   ASP  21           HA       ASP  21   8.084   7.373   1.117
  144    HB2  ASP  21           HB2      ASP  21   6.714   9.294   0.096
  145    HB3  ASP  21           HB1      ASP  21   5.803   9.296   1.602
  146    H    VAL  22           HN       VAL  22   8.354   5.982   2.793
  147    HA   VAL  22           HA       VAL  22   6.228   5.221   4.503
  148    HB   VAL  22           HB       VAL  22   7.990   3.666   3.975
  149   HG11  VAL  22          HG11      VAL  22   9.884   5.124   3.753
  150   HG12  VAL  22          HG12      VAL  22  10.248   3.882   4.952
  151   HG13  VAL  22          HG13      VAL  22   9.832   5.516   5.473
  152   HG21  VAL  22          HG21      VAL  22   6.817   3.310   6.062
  153   HG22  VAL  22          HG22      VAL  22   7.975   4.337   6.907
  154   HG23  VAL  22          HG23      VAL  22   8.501   2.807   6.211
  155    H    ASN  23           HN       ASN  23   8.573   7.761   4.719
  156    HA   ASN  23           HA       ASN  23   8.013   8.146   7.551
  157    HB2  ASN  23           HB2      ASN  23   9.624  10.044   7.392
  158    HB3  ASN  23           HB1      ASN  23  10.306   8.489   6.937
  159   HD21  ASN  23          HD21      ASN  23   9.442  11.647   5.893
  160   HD22  ASN  23          HD22      ASN  23  10.124  11.538   4.303
  161    H    ASN  24           HN       ASN  24   6.597   9.013   4.654
  162    HA   ASN  24           HA       ASN  24   5.079  11.125   6.054
  163    HB2  ASN  24           HB2      ASN  24   5.768  10.867   3.133
  164    HB3  ASN  24           HB1      ASN  24   4.402  11.836   3.673
  165   HD21  ASN  24          HD21      ASN  24   7.834  11.537   3.535
  166   HD22  ASN  24          HD22      ASN  24   8.204  13.155   4.058
  167    H    LEU  25           HN       LEU  25   4.785   8.179   5.985
  168    HA   LEU  25           HA       LEU  25   2.597   7.464   4.363
  169    HG   LEU  25           HG       LEU  25   4.631   5.638   4.396
  170    HB2  LEU  25           HB2      LEU  25   4.006   6.292   6.684
  171    HB3  LEU  25           HB1      LEU  25   2.375   5.717   6.392
  172   HD11  LEU  25          HD11      LEU  25   4.993   4.126   6.280
  173   HD12  LEU  25          HD12      LEU  25   4.622   3.234   4.804
  174   HD13  LEU  25          HD13      LEU  25   3.384   3.443   6.045
  175   HD21  LEU  25          HD21      LEU  25   2.399   5.839   3.395
  176   HD22  LEU  25          HD22      LEU  25   1.882   4.414   4.299
  177   HD23  LEU  25          HD23      LEU  25   3.142   4.274   3.070
  178    H    ASP  26           HN       ASP  26   0.599   8.136   4.471
  179    HA   ASP  26           HA       ASP  26  -0.654   9.532   6.528
  180    HB2  ASP  26           HB2      ASP  26  -1.484   9.306   4.181
  181    HB3  ASP  26           HB1      ASP  26  -1.942   7.645   4.536
  182    HA   PRO  27           HA       PRO  27  -0.843   6.618   9.842
  183    HB2  PRO  27           HB2      PRO  27  -3.341   8.118  10.477
  184    HB3  PRO  27           HB1      PRO  27  -1.958   7.742  11.512
  185    HG2  PRO  27           HG2      PRO  27  -2.274  10.187  10.524
  186    HG3  PRO  27           HG1      PRO  27  -0.664   9.450  10.627
  187    HD2  PRO  27           HD2      PRO  27  -2.415   9.849   8.246
  188    HD3  PRO  27           HD1      PRO  27  -0.648   9.932   8.378
  189    H    ASP  28           HN       ASP  28  -3.724   7.225   7.872
  190    HA   ASP  28           HA       ASP  28  -5.142   4.921   8.816
  191    HB2  ASP  28           HB2      ASP  28  -5.459   6.626   6.335
  192    HB3  ASP  28           HB1      ASP  28  -6.527   5.282   6.720
  193    H    LEU  29           HN       LEU  29  -3.136   5.644   5.980
  194    HA   LEU  29           HA       LEU  29  -3.232   3.075   4.822
  195    HG   LEU  29           HG       LEU  29  -3.073   6.051   3.847
  196    HB2  LEU  29           HB2      LEU  29  -0.980   5.087   4.755
  197    HB3  LEU  29           HB1      LEU  29  -1.164   3.718   3.672
  198   HD11  LEU  29          HD11      LEU  29  -0.939   5.386   1.824
  199   HD12  LEU  29          HD12      LEU  29  -0.924   6.730   2.966
  200   HD13  LEU  29          HD13      LEU  29  -2.125   6.684   1.676
  201   HD21  LEU  29          HD21      LEU  29  -2.912   3.739   1.910
  202   HD22  LEU  29          HD22      LEU  29  -4.010   5.113   1.785
  203   HD23  LEU  29          HD23      LEU  29  -4.158   3.987   3.133
  204    H    ARG  30           HN       ARG  30  -1.112   4.562   7.210
  205    HA   ARG  30           HA       ARG  30   0.717   2.555   7.722
  206    HE   ARG  30           HE       ARG  30   2.428   7.216   8.654
  207    HB2  ARG  30           HB2      ARG  30  -0.689   4.354   9.692
  208    HB3  ARG  30           HB1      ARG  30   0.740   3.402  10.053
  209    HG2  ARG  30           HG2      ARG  30   1.774   4.670   8.042
  210    HG3  ARG  30           HG1      ARG  30   0.465   5.820   8.341
  211    HD2  ARG  30           HD2      ARG  30   1.180   5.871  10.732
  212    HD3  ARG  30           HD1      ARG  30   2.570   4.893  10.260
  213   HH11  ARG  30          HH11      ARG  30   3.152   6.218  11.926
  214   HH12  ARG  30          HH12      ARG  30   4.272   7.513  12.214
  215   HH21  ARG  30          HH21      ARG  30   3.902   8.930   9.027
  216   HH22  ARG  30          HH22      ARG  30   4.718   9.051  10.556
  217    H    SER  31           HN       SER  31  -2.491   3.002   9.152
  218    HA   SER  31           HA       SER  31  -2.586   0.742  10.778
  219    HG   SER  31           HG       SER  31  -4.617   0.302  11.519
  220    HB2  SER  31           HB2      SER  31  -4.200   2.714  10.743
  221    HB3  SER  31           HB1      SER  31  -4.943   1.977   9.331
  222    H    LEU  32           HN       LEU  32  -3.661   1.200   7.427
  223    HA   LEU  32           HA       LEU  32  -4.864  -1.333   7.179
  224    HG   LEU  32           HG       LEU  32  -4.205  -1.673   4.100
  225    HB2  LEU  32           HB2      LEU  32  -5.446   0.536   5.735
  226    HB3  LEU  32           HB1      LEU  32  -3.832   0.532   5.051
  227   HD11  LEU  32          HD11      LEU  32  -5.710  -2.526   5.826
  228   HD12  LEU  32          HD12      LEU  32  -6.374  -2.746   4.209
  229   HD13  LEU  32          HD13      LEU  32  -6.982  -1.451   5.241
  230   HD21  LEU  32          HD21      LEU  32  -6.006  -1.098   2.497
  231   HD22  LEU  32          HD22      LEU  32  -4.788   0.167   2.685
  232   HD23  LEU  32          HD23      LEU  32  -6.361   0.331   3.468
  233    H    PHE  33           HN       PHE  33  -1.714  -0.130   6.067
  234    HA   PHE  33           HA       PHE  33  -1.094  -2.442   4.580
  235    HD1  PHE  33           HD2      PHE  33  -1.735  -1.198   3.186
  236    HD2  PHE  33           HD1      PHE  33   1.472   1.422   4.203
  237    HE1  PHE  33           HE2      PHE  33  -2.464   0.385   1.452
  238    HE2  PHE  33           HE1      PHE  33   0.737   2.997   2.473
  239    HZ   PHE  33           HZ       PHE  33  -1.229   2.477   1.092
  240    HB2  PHE  33           HB2      PHE  33   0.764  -0.351   5.719
  241    HB3  PHE  33           HB1      PHE  33   1.202  -1.535   4.492
  242    H    SER  34           HN       SER  34  -0.238  -1.477   7.879
  243    HA   SER  34           HA       SER  34   1.436  -3.663   8.451
  244    HG   SER  34           HG       SER  34   1.711  -3.919  10.829
  245    HB2  SER  34           HB2      SER  34   1.405  -1.720   9.884
  246    HB3  SER  34           HB1      SER  34  -0.292  -1.983  10.280
  247    H    ARG  35           HN       ARG  35  -2.048  -3.231   8.655
  248    HA   ARG  35           HA       ARG  35  -2.637  -5.748   9.809
  249    HE   ARG  35           HE       ARG  35  -5.916  -2.746  12.355
  250    HB2  ARG  35           HB2      ARG  35  -4.198  -3.703   8.288
  251    HB3  ARG  35           HB1      ARG  35  -4.913  -5.270   8.643
  252    HG2  ARG  35           HG2      ARG  35  -4.825  -4.917  10.947
  253    HG3  ARG  35           HG1      ARG  35  -3.714  -3.560  10.782
  254    HD2  ARG  35           HD2      ARG  35  -5.385  -2.130  10.010
  255    HD3  ARG  35           HD1      ARG  35  -6.433  -3.465   9.532
  256   HH11  ARG  35          HH11      ARG  35  -8.032  -3.710   9.764
  257   HH12  ARG  35          HH12      ARG  35  -9.442  -3.861  10.764
  258   HH21  ARG  35          HH21      ARG  35  -7.754  -2.920  13.706
  259   HH22  ARG  35          HH22      ARG  35  -9.279  -3.419  13.027
  260    H    ALA  36           HN       ALA  36  -2.178  -4.599   6.549
  261    HA   ALA  36           HA       ALA  36  -3.200  -6.964   5.273
  262    HB1  ALA  36           HB1      ALA  36  -2.741  -5.857   3.222
  263    HB2  ALA  36           HB2      ALA  36  -1.549  -4.800   3.985
  264    HB3  ALA  36           HB3      ALA  36  -3.262  -4.601   4.349
  265    H    GLY  37           HN       GLY  37  -0.411  -6.432   6.938
  266    HA2  GLY  37           HA2      GLY  37   1.276  -8.046   7.225
  267    HA3  GLY  37           HA1      GLY  37   0.850  -8.747   5.670
  268    H    ILE  38           HN       ILE  38   0.880  -5.729   4.861
  269    HA   ILE  38           HA       ILE  38   3.350  -5.755   3.527
  270    HB   ILE  38           HB       ILE  38   1.618  -3.356   4.128
  271   HG12  ILE  38          HG12      ILE  38   1.442  -5.176   1.725
  272   HG13  ILE  38          HG11      ILE  38   0.389  -5.333   3.125
  273   HG21  ILE  38          HG21      ILE  38   2.547  -2.509   2.010
  274   HG22  ILE  38          HG22      ILE  38   3.572  -3.943   1.907
  275   HG23  ILE  38          HG23      ILE  38   3.794  -2.792   3.225
  276   HD11  ILE  38          HD11      ILE  38  -0.761  -4.112   1.418
  277   HD12  ILE  38          HD12      ILE  38   0.589  -2.986   1.261
  278   HD13  ILE  38          HD13      ILE  38  -0.371  -3.007   2.739
  279    H    SER  39           HN       SER  39   5.294  -5.411   4.366
  280    HA   SER  39           HA       SER  39   5.546  -3.844   6.819
  281    HG   SER  39           HG       SER  39   8.518  -5.463   7.627
  282    HB2  SER  39           HB2      SER  39   6.563  -6.053   6.873
  283    HB3  SER  39           HB1      SER  39   7.497  -5.679   5.433
  284    H    GLU  40           HN       GLU  40   7.749  -2.581   6.873
  285    HA   GLU  40           HA       GLU  40   7.625  -0.362   5.246
  286    HB2  GLU  40           HB2      GLU  40   8.953  -0.526   7.320
  287    HB3  GLU  40           HB1      GLU  40  10.105  -1.568   6.496
  288    HG2  GLU  40           HG2      GLU  40  10.574   0.294   4.927
  289    HG3  GLU  40           HG1      GLU  40   9.528   1.321   5.904
  290    H    ALA  41           HN       ALA  41   9.481  -3.316   4.771
  291    HA   ALA  41           HA       ALA  41  11.005  -2.554   2.568
  292    HB1  ALA  41           HB1      ALA  41   9.934  -5.290   3.231
  293    HB2  ALA  41           HB2      ALA  41  11.422  -4.581   3.856
  294    HB3  ALA  41           HB3      ALA  41  11.272  -4.936   2.136
  295    H    GLN  42           HN       GLN  42   7.891  -4.262   2.622
  296    HA   GLN  42           HA       GLN  42   7.548  -4.459  -0.136
  297    HB2  GLN  42           HB2      GLN  42   5.637  -4.478   2.167
  298    HB3  GLN  42           HB1      GLN  42   5.040  -4.527   0.517
  299    HG2  GLN  42           HG2      GLN  42   6.371  -6.551   0.117
  300    HG3  GLN  42           HG1      GLN  42   6.892  -6.517   1.802
  301   HE21  GLN  42          HE21      GLN  42   4.287  -7.156  -0.382
  302   HE22  GLN  42          HE22      GLN  42   3.225  -7.885   0.770
  303    H    LEU  43           HN       LEU  43   6.683  -1.877   2.093
  304    HA   LEU  43           HA       LEU  43   5.187  -0.370   0.215
  305    HG   LEU  43           HG       LEU  43   4.640  -1.043   3.070
  306    HB2  LEU  43           HB2      LEU  43   6.605   0.441   2.751
  307    HB3  LEU  43           HB1      LEU  43   5.596   1.527   1.807
  308   HD11  LEU  43          HD11      LEU  43   3.463   0.379   4.645
  309   HD12  LEU  43          HD12      LEU  43   4.168   1.815   3.901
  310   HD13  LEU  43          HD13      LEU  43   5.203   0.658   4.741
  311   HD21  LEU  43          HD21      LEU  43   3.151   1.179   1.678
  312   HD22  LEU  43          HD22      LEU  43   2.420  -0.214   2.473
  313   HD23  LEU  43          HD23      LEU  43   3.427  -0.443   1.043
  314    H    THR  44           HN       THR  44   8.535  -0.855   0.701
  315    HA   THR  44           HA       THR  44   9.138   1.367  -1.134
  316    HB   THR  44           HB       THR  44  11.550   0.955  -0.320
  317    HG1  THR  44           HG1      THR  44  10.126  -0.262   1.842
  318   HG21  THR  44          HG21      THR  44  11.234   2.402   1.635
  319   HG22  THR  44          HG22      THR  44   9.508   2.046   1.632
  320   HG23  THR  44          HG23      THR  44  10.226   2.939   0.292
  321    H    ASP  45           HN       ASP  45   8.220  -1.540  -1.502
  322    HA   ASP  45           HA       ASP  45  10.351  -2.497  -3.260
  323    HB2  ASP  45           HB2      ASP  45   7.988  -3.744  -1.985
  324    HB3  ASP  45           HB1      ASP  45   8.355  -4.302  -3.613
  325    H    ALA  46           HN       ALA  46  10.139  -2.626  -5.454
  326    HA   ALA  46           HA       ALA  46   8.734  -0.531  -6.655
  327    HB1  ALA  46           HB1      ALA  46   9.510  -1.376  -8.744
  328    HB2  ALA  46           HB2      ALA  46   9.770  -2.982  -8.053
  329    HB3  ALA  46           HB3      ALA  46  10.785  -1.625  -7.548
  330    H    GLU  47           HN       GLU  47   8.210  -4.015  -7.209
  331    HA   GLU  47           HA       GLU  47   5.806  -3.584  -8.620
  332    HB2  GLU  47           HB2      GLU  47   5.501  -6.046  -8.476
  333    HB3  GLU  47           HB1      GLU  47   7.064  -5.562  -9.111
  334    HG2  GLU  47           HG2      GLU  47   6.696  -6.247  -6.228
  335    HG3  GLU  47           HG1      GLU  47   6.958  -7.499  -7.438
  336    H    THR  48           HN       THR  48   6.491  -4.489  -5.282
  337    HA   THR  48           HA       THR  48   3.893  -5.113  -4.514
  338    HB   THR  48           HB       THR  48   5.951  -3.826  -2.726
  339    HG1  THR  48           HG1      THR  48   6.887  -5.805  -2.549
  340   HG21  THR  48          HG21      THR  48   3.604  -5.661  -2.249
  341   HG22  THR  48          HG22      THR  48   3.805  -4.006  -1.670
  342   HG23  THR  48          HG23      THR  48   4.827  -5.295  -1.033
  343    H    SER  49           HN       SER  49   5.591  -1.980  -4.043
  344    HA   SER  49           HA       SER  49   3.352  -0.707  -2.902
  345    HG   SER  49           HG       SER  49   6.595  -0.073  -4.587
  346    HB2  SER  49           HB2      SER  49   4.585   1.381  -3.241
  347    HB3  SER  49           HB1      SER  49   5.653   0.123  -2.620
  348    H    LYS  50           HN       LYS  50   4.478  -1.026  -6.200
  349    HA   LYS  50           HA       LYS  50   2.791   0.769  -7.492
  350    HB2  LYS  50           HB2      LYS  50   4.666  -0.471  -8.557
  351    HB3  LYS  50           HB1      LYS  50   3.705  -1.939  -8.484
  352    HG2  LYS  50           HG2      LYS  50   2.059  -0.952  -9.979
  353    HG3  LYS  50           HG1      LYS  50   2.996   0.543 -10.034
  354    HD2  LYS  50           HD2      LYS  50   4.893  -0.717 -10.986
  355    HD3  LYS  50           HD1      LYS  50   3.903  -2.175 -10.984
  356    HE2  LYS  50           HE2      LYS  50   2.329  -1.138 -12.515
  357    HE3  LYS  50           HE1      LYS  50   3.258   0.357 -12.477
  358    HZ1  LYS  50           HZ1      LYS  50   4.157  -2.261 -13.562
  359    HZ2  LYS  50           HZ2      LYS  50   5.150  -0.899 -13.414
  360    HZ3  LYS  50           HZ3      LYS  50   3.808  -0.856 -14.449
  361    H    LEU  51           HN       LEU  51   2.248  -2.610  -6.563
  362    HA   LEU  51           HA       LEU  51  -0.406  -2.662  -7.615
  363    HG   LEU  51           HG       LEU  51   0.194  -6.118  -7.731
  364    HB2  LEU  51           HB2      LEU  51   1.296  -4.526  -6.119
  365    HB3  LEU  51           HB1      LEU  51  -0.440  -4.744  -5.973
  366   HD11  LEU  51          HD11      LEU  51  -1.033  -5.328  -9.542
  367   HD12  LEU  51          HD12      LEU  51  -0.658  -3.645  -9.178
  368   HD13  LEU  51          HD13      LEU  51  -1.746  -4.556  -8.131
  369   HD21  LEU  51          HD21      LEU  51   2.434  -5.216  -8.045
  370   HD22  LEU  51          HD22      LEU  51   1.749  -3.831  -8.904
  371   HD23  LEU  51          HD23      LEU  51   1.600  -5.455  -9.583
  372    H    ILE  52           HN       ILE  52   0.970  -2.127  -4.395
  373    HA   ILE  52           HA       ILE  52  -1.419  -2.175  -2.956
  374    HB   ILE  52           HB       ILE  52   0.984  -0.416  -2.465
  375   HG12  ILE  52          HG12      ILE  52   0.224  -3.157  -1.444
  376   HG13  ILE  52          HG11      ILE  52   1.573  -2.775  -2.508
  377   HG21  ILE  52          HG21      ILE  52  -0.964   0.411  -1.290
  378   HG22  ILE  52          HG22      ILE  52   0.151  -0.341  -0.145
  379   HG23  ILE  52          HG23      ILE  52  -1.299  -1.205  -0.662
  380   HD11  ILE  52          HD11      ILE  52   1.240  -2.178   0.401
  381   HD12  ILE  52          HD12      ILE  52   2.417  -1.315  -0.594
  382   HD13  ILE  52          HD13      ILE  52   2.534  -3.066  -0.410
  383    H    TYR  53           HN       TYR  53   0.189   0.605  -4.530
  384    HA   TYR  53           HA       TYR  53  -1.904   2.411  -3.925
  385    HD1  TYR  53           HD2      TYR  53  -1.863   4.870  -4.062
  386    HD2  TYR  53           HD1      TYR  53  -0.439   3.789  -7.925
  387    HE1  TYR  53           HE2      TYR  53  -3.027   6.812  -5.028
  388    HE2  TYR  53           HE1      TYR  53  -1.611   5.717  -8.904
  389    HH   TYR  53           HH       TYR  53  -3.576   7.141  -8.336
  390    HB2  TYR  53           HB2      TYR  53   0.249   3.317  -4.529
  391    HB3  TYR  53           HB1      TYR  53   0.198   2.516  -6.099
  392    H    ASP  54           HN       ASP  54  -1.221   0.343  -6.686
  393    HA   ASP  54           HA       ASP  54  -3.297   1.093  -8.379
  394    HB2  ASP  54           HB2      ASP  54  -1.569  -0.428  -9.120
  395    HB3  ASP  54           HB1      ASP  54  -2.027  -1.614  -7.906
  396    H    PHE  55           HN       PHE  55  -3.265  -1.118  -5.648
  397    HA   PHE  55           HA       PHE  55  -5.914  -2.047  -5.781
  398    HD1  PHE  55           HD1      PHE  55  -6.728  -4.090  -3.962
  399    HD2  PHE  55           HD2      PHE  55  -5.020  -0.988  -1.592
  400    HE1  PHE  55           HE1      PHE  55  -8.345  -4.567  -2.174
  401    HE2  PHE  55           HE2      PHE  55  -6.639  -1.459   0.192
  402    HZ   PHE  55           HZ       PHE  55  -8.298  -3.253  -0.087
  403    HB2  PHE  55           HB2      PHE  55  -4.408  -3.182  -4.352
  404    HB3  PHE  55           HB1      PHE  55  -3.933  -1.697  -3.539
  405    H    ILE  56           HN       ILE  56  -4.490   0.633  -3.968
  406    HA   ILE  56           HA       ILE  56  -6.852   1.533  -2.748
  407    HB   ILE  56           HB       ILE  56  -4.347   3.081  -3.437
  408   HG12  ILE  56          HG12      ILE  56  -5.141   1.635  -0.900
  409   HG13  ILE  56          HG11      ILE  56  -3.985   1.037  -2.085
  410   HG21  ILE  56          HG21      ILE  56  -6.474   3.677  -1.387
  411   HG22  ILE  56          HG22      ILE  56  -6.234   4.551  -2.900
  412   HG23  ILE  56          HG23      ILE  56  -4.992   4.596  -1.649
  413   HD11  ILE  56          HD11      ILE  56  -2.891   2.012  -0.148
  414   HD12  ILE  56          HD12      ILE  56  -3.687   3.553  -0.469
  415   HD13  ILE  56          HD13      ILE  56  -2.518   2.907  -1.621
  416    H    GLU  57           HN       GLU  57  -5.276   2.423  -5.782
  417    HA   GLU  57           HA       GLU  57  -7.094   4.479  -6.501
  418    HB2  GLU  57           HB2      GLU  57  -4.799   4.172  -7.458
  419    HB3  GLU  57           HB1      GLU  57  -5.392   2.760  -8.319
  420    HG2  GLU  57           HG2      GLU  57  -6.733   4.018  -9.733
  421    HG3  GLU  57           HG1      GLU  57  -6.705   5.421  -8.666
  422    H    ASP  58           HN       ASP  58  -7.012   1.017  -6.991
  423    HA   ASP  58           HA       ASP  58  -9.041   0.783  -8.923
  424    HB2  ASP  58           HB2      ASP  58  -7.491  -1.040  -8.390
  425    HB3  ASP  58           HB1      ASP  58  -8.189  -1.178  -6.784
  426    H    GLN  59           HN       GLN  59  -9.152   1.110  -5.442
  427    HA   GLN  59           HA       GLN  59 -11.954   0.444  -5.282
  428    HB2  GLN  59           HB2      GLN  59 -10.209   1.754  -3.194
  429    HB3  GLN  59           HB1      GLN  59 -11.783   1.018  -2.931
  430    HG2  GLN  59           HG2      GLN  59  -9.184  -0.325  -3.583
  431    HG3  GLN  59           HG1      GLN  59 -10.187  -0.516  -2.147
  432   HE21  GLN  59          HE21      GLN  59  -9.179  -2.534  -3.904
  433   HE22  GLN  59          HE22      GLN  59 -10.546  -3.382  -4.534
  434    H    GLY  60           HN       GLY  60 -10.319   3.103  -6.360
  435    HA2  GLY  60           HA2      GLY  60 -11.772   4.916  -7.191
  436    HA3  GLY  60           HA1      GLY  60 -12.549   4.893  -5.614
  437    H    GLY  61           HN       GLY  61  -9.951   4.518  -4.235
  438    HA2  GLY  61           HA2      GLY  61  -7.928   6.182  -4.691
  439    HA3  GLY  61           HA1      GLY  61  -9.177   7.323  -4.221
  440    H    LEU  62           HN       LEU  62  -7.436   7.730  -2.599
  441    HA   LEU  62           HA       LEU  62  -6.631   5.906  -0.660
  442    HG   LEU  62           HG       LEU  62  -4.424   7.141  -0.583
  443    HB2  LEU  62           HB2      LEU  62  -6.881   8.899  -0.619
  444    HB3  LEU  62           HB1      LEU  62  -6.289   8.008   0.768
  445   HD11  LEU  62          HD11      LEU  62  -5.503   8.943  -2.744
  446   HD12  LEU  62          HD12      LEU  62  -5.504   7.179  -2.770
  447   HD13  LEU  62          HD13      LEU  62  -3.977   8.061  -2.792
  448   HD21  LEU  62          HD21      LEU  62  -4.707  10.142  -0.655
  449   HD22  LEU  62          HD22      LEU  62  -3.195   9.242  -0.765
  450   HD23  LEU  62          HD23      LEU  62  -4.149   9.187   0.718
  451    H    GLU  63           HN       GLU  63  -9.203   8.336  -0.439
  452    HA   GLU  63           HA       GLU  63  -9.950   7.705   2.193
  453    HB2  GLU  63           HB2      GLU  63 -11.665   8.980   0.058
  454    HB3  GLU  63           HB1      GLU  63 -11.882   9.114   1.797
  455    HG2  GLU  63           HG2      GLU  63  -9.697  10.247   1.938
  456    HG3  GLU  63           HG1      GLU  63  -9.595  10.192   0.180
  457    H    ALA  64           HN       ALA  64 -10.696   6.211  -0.815
  458    HA   ALA  64           HA       ALA  64 -13.201   5.092  -0.183
  459    HB1  ALA  64           HB1      ALA  64 -11.136   4.015  -2.091
  460    HB2  ALA  64           HB2      ALA  64 -12.312   5.272  -2.474
  461    HB3  ALA  64           HB3      ALA  64 -12.859   3.643  -2.079
  462    H    VAL  65           HN       VAL  65  -9.905   3.709   0.045
  463    HA   VAL  65           HA       VAL  65 -10.858   1.237   1.118
  464    HB   VAL  65           HB       VAL  65  -8.615   0.565   1.388
  465   HG11  VAL  65          HG11      VAL  65  -9.254   0.697  -0.921
  466   HG12  VAL  65          HG12      VAL  65  -7.558   1.158  -0.765
  467   HG13  VAL  65          HG13      VAL  65  -8.792   2.397  -0.993
  468   HG21  VAL  65          HG21      VAL  65  -7.670   2.330   2.640
  469   HG22  VAL  65          HG22      VAL  65  -7.897   3.484   1.326
  470   HG23  VAL  65          HG23      VAL  65  -6.710   2.188   1.168
  471    H    ARG  66           HN       ARG  66 -10.106   4.307   2.434
  472    HA   ARG  66           HA       ARG  66  -9.691   3.464   5.131
  473    HE   ARG  66           HE       ARG  66  -8.078   7.357   6.159
  474    HB2  ARG  66           HB2      ARG  66 -10.531   6.167   4.048
  475    HB3  ARG  66           HB1      ARG  66  -9.963   5.849   5.683
  476    HG2  ARG  66           HG2      ARG  66  -7.784   5.323   4.920
  477    HG3  ARG  66           HG1      ARG  66  -8.317   5.281   3.239
  478    HD2  ARG  66           HD2      ARG  66  -7.184   7.336   3.527
  479    HD3  ARG  66           HD1      ARG  66  -8.903   7.716   3.481
  480   HH11  ARG  66          HH11      ARG  66  -7.807   9.622   3.497
  481   HH12  ARG  66          HH12      ARG  66  -7.540  10.990   4.520
  482   HH21  ARG  66          HH21      ARG  66  -7.686   9.155   7.507
  483   HH22  ARG  66          HH22      ARG  66  -7.462  10.731   6.801
  484    H    GLN  67           HN       GLN  67 -12.418   4.132   3.119
  485    HA   GLN  67           HA       GLN  67 -14.320   4.199   5.279
  486    HB2  GLN  67           HB2      GLN  67 -14.716   3.949   2.299
  487    HB3  GLN  67           HB1      GLN  67 -16.006   4.159   3.477
  488    HG2  GLN  67           HG2      GLN  67 -15.140   6.325   4.097
  489    HG3  GLN  67           HG1      GLN  67 -13.767   6.112   3.013
  490   HE21  GLN  67          HE21      GLN  67 -17.001   5.076   2.210
  491   HE22  GLN  67          HE22      GLN  67 -17.281   6.265   0.974
  492    H    GLU  68           HN       GLU  68 -12.949   1.801   3.153
  493    HA   GLU  68           HA       GLU  68 -14.767  -0.300   3.638
  494    HB2  GLU  68           HB2      GLU  68 -11.815  -0.745   3.243
  495    HB3  GLU  68           HB1      GLU  68 -13.161  -1.733   2.689
  496    HG2  GLU  68           HG2      GLU  68 -13.708   0.488   1.343
  497    HG3  GLU  68           HG1      GLU  68 -11.967   0.699   1.515
  498    H    MET  69           HN       MET  69 -12.234   1.127   5.508
  499    HA   MET  69           HA       MET  69 -11.828  -0.850   7.452
  500    HB2  MET  69           HB2      MET  69 -11.659   2.147   7.535
  501    HB3  MET  69           HB1      MET  69 -11.353   1.168   8.964
  502    HG2  MET  69           HG2      MET  69  -9.609  -0.042   7.697
  503    HG3  MET  69           HG1      MET  69  -9.867   1.072   6.356
  504    HE1  MET  69           HE1      MET  69  -7.029   1.270   6.802
  505    HE2  MET  69           HE2      MET  69  -7.314   0.250   8.210
  506    HE3  MET  69           HE3      MET  69  -6.417   1.764   8.385
  507    H    ARG  70           HN       ARG  70 -14.386   1.515   7.027
  508    HA   ARG  70           HA       ARG  70 -15.709   0.487   9.441
  509    HE   ARG  70           HE       ARG  70 -18.176   4.133   9.145
  510    HB2  ARG  70           HB2      ARG  70 -17.066   2.545   9.357
  511    HB3  ARG  70           HB1      ARG  70 -15.349   2.889   9.509
  512    HG2  ARG  70           HG2      ARG  70 -15.233   3.416   7.132
  513    HG3  ARG  70           HG1      ARG  70 -16.946   3.029   6.955
  514    HD2  ARG  70           HD2      ARG  70 -15.805   5.213   8.693
  515    HD3  ARG  70           HD1      ARG  70 -16.550   5.446   7.112
  516   HH11  ARG  70          HH11      ARG  70 -17.380   7.080   7.413
  517   HH12  ARG  70          HH12      ARG  70 -18.856   7.888   7.867
  518   HH21  ARG  70          HH21      ARG  70 -20.115   5.170   9.704
  519   HH22  ARG  70          HH22      ARG  70 -20.437   6.784   9.135
  520    H    ARG  71           HN       ARG  71 -15.547  -0.619   6.645
  521    HA   ARG  71           HA       ARG  71 -18.440  -0.901   6.238
  522    HE   ARG  71           HE       ARG  71 -17.652  -0.343   1.071
  523    HB2  ARG  71           HB2      ARG  71 -17.597   0.572   4.489
  524    HB3  ARG  71           HB1      ARG  71 -16.362  -0.607   4.054
  525    HG2  ARG  71           HG2      ARG  71 -19.002  -1.780   4.027
  526    HG3  ARG  71           HG1      ARG  71 -18.916  -0.363   2.978
  527    HD2  ARG  71           HD2      ARG  71 -16.786  -2.464   2.883
  528    HD3  ARG  71           HD1      ARG  71 -18.304  -2.686   2.006
  529   HH11  ARG  71          HH11      ARG  71 -15.487  -3.051   1.732
  530   HH12  ARG  71          HH12      ARG  71 -14.322  -2.541   0.546
  531   HH21  ARG  71          HH21      ARG  71 -16.133   0.289  -0.484
  532   HH22  ARG  71          HH22      ARG  71 -14.664  -0.626  -0.694
  533    H    GLN  72           HN       GLN  72 -15.659  -2.315   4.606
  534    HA   GLN  72           HA       GLN  72 -15.321  -4.692   5.876
  535    HB2  GLN  72           HB2      GLN  72 -17.742  -5.136   5.441
  536    HB3  GLN  72           HB1      GLN  72 -17.423  -5.037   3.715
  537    HG2  GLN  72           HG2      GLN  72 -17.535  -7.341   4.372
  538    HG3  GLN  72           HG1      GLN  72 -15.878  -6.946   3.920
  539   HE21  GLN  72          HE21      GLN  72 -15.012  -8.638   5.093
  540   HE22  GLN  72          HE22      GLN  72 -14.957  -8.651   6.819
  541    H1   GLY  73           HT1      GLY  73 -11.459 -16.762   2.025
  542    H2   GLY  73           HT2      GLY  73 -10.343 -17.396   3.135
  543    H3   GLY  73           HT3      GLY  73  -9.795 -16.656   1.715
  544    HA2  GLY  73           HA1      GLY  73 -10.611 -14.524   2.433
  545    HA3  GLY  73           HA2      GLY  73 -11.267 -15.269   3.886
  546    H    HIS  74           HN       HIS  74  -9.790 -13.410   4.701
  547    HA   HIS  74           HA       HIS  74  -7.264 -14.685   5.470
  548    HD1  HIS  74           HD1      HIS  74  -5.610 -15.085   4.078
  549    HD2  HIS  74           HD2      HIS  74  -6.430 -11.565   2.002
  550    HE1  HIS  74           HE1      HIS  74  -4.591 -15.386   1.801
  551    HE2  HIS  74           HE2      HIS  74  -5.240 -13.329   0.510
  552    HB2  HIS  74           HB2      HIS  74  -7.567 -11.856   4.459
  553    HB3  HIS  74           HB1      HIS  74  -6.188 -12.375   5.417
  554    H    MET  75           HN       MET  75  -6.263 -13.245   7.325
  555    HA   MET  75           HA       MET  75  -8.224 -13.488   9.418
  556    HB2  MET  75           HB2      MET  75  -5.304 -12.726   9.531
  557    HB3  MET  75           HB1      MET  75  -6.310 -13.109  10.919
  558    HG2  MET  75           HG2      MET  75  -6.560 -15.380  10.179
  559    HG3  MET  75           HG1      MET  75  -5.718 -15.023   8.673
  560    HE1  MET  75           HE1      MET  75  -3.348 -13.125   9.732
  561    HE2  MET  75           HE2      MET  75  -3.145 -14.400   8.531
  562    HE3  MET  75           HE3      MET  75  -2.071 -14.327   9.928
  563    H    LEU  76           HN       LEU  76  -8.484 -11.183   7.545
  564    HA   LEU  76           HA       LEU  76  -8.414  -9.047   9.564
  565    HG   LEU  76           HG       LEU  76  -5.765  -7.462   7.529
  566    HB2  LEU  76           HB2      LEU  76  -7.639  -8.856   6.651
  567    HB3  LEU  76           HB1      LEU  76  -8.143  -7.454   7.574
  568   HD11  LEU  76          HD11      LEU  76  -6.742  -6.768   9.628
  569   HD12  LEU  76          HD12      LEU  76  -5.205  -7.586   9.905
  570   HD13  LEU  76          HD13      LEU  76  -6.722  -8.431  10.214
  571   HD21  LEU  76          HD21      LEU  76  -5.859 -10.271   8.621
  572   HD22  LEU  76          HD22      LEU  76  -4.404  -9.310   8.349
  573   HD23  LEU  76          HD23      LEU  76  -5.400  -9.811   6.981
  574    HA   PRO  77           HA       PRO  77 -12.704  -9.028   8.431
  575    HB2  PRO  77           HB2      PRO  77 -13.563  -7.420  10.389
  576    HB3  PRO  77           HB1      PRO  77 -12.989  -9.057  10.732
  577    HG2  PRO  77           HG2      PRO  77 -11.602  -6.443  11.097
  578    HG3  PRO  77           HG1      PRO  77 -11.573  -7.881  12.130
  579    HD2  PRO  77           HD2      PRO  77  -9.603  -7.177  10.289
  580    HD3  PRO  77           HD1      PRO  77  -9.845  -8.801  10.971
  581    H    ASP  78           HN       ASP  78 -10.647  -7.002   7.329
  582    HA   ASP  78           HA       ASP  78 -12.569  -4.958   6.557
  583    HB2  ASP  78           HB2      ASP  78  -9.838  -4.252   7.643
  584    HB3  ASP  78           HB1      ASP  78 -11.041  -3.122   7.042
  585    H    VAL  79           HN       VAL  79 -11.014  -3.311   5.163
  586    HA   VAL  79           HA       VAL  79 -10.530  -4.509   2.732
  587    HB   VAL  79           HB       VAL  79 -10.887  -2.167   2.826
  588   HG11  VAL  79          HG11      VAL  79  -9.391  -0.596   3.883
  589   HG12  VAL  79          HG12      VAL  79  -8.361  -1.922   4.422
  590   HG13  VAL  79          HG13      VAL  79 -10.001  -1.765   5.059
  591   HG21  VAL  79          HG21      VAL  79  -8.883  -1.191   1.696
  592   HG22  VAL  79          HG22      VAL  79  -9.512  -2.675   0.973
  593   HG23  VAL  79          HG23      VAL  79  -8.058  -2.727   1.979
  594    H    ALA  80           HN       ALA  80  -8.518  -4.647   5.490
  595    HA   ALA  80           HA       ALA  80  -5.970  -4.670   4.318
  596    HB1  ALA  80           HB1      ALA  80  -6.105  -4.352   6.626
  597    HB2  ALA  80           HB2      ALA  80  -5.303  -5.911   6.398
  598    HB3  ALA  80           HB3      ALA  80  -7.006  -5.851   6.872
  599    H    GLN  81           HN       GLN  81  -8.292  -7.310   4.833
  600    HA   GLN  81           HA       GLN  81  -6.452  -9.353   4.016
  601    HB2  GLN  81           HB2      GLN  81  -8.298 -10.863   4.051
  602    HB3  GLN  81           HB1      GLN  81  -8.552  -9.756   5.391
  603    HG2  GLN  81           HG2      GLN  81 -10.307  -8.665   4.314
  604    HG3  GLN  81           HG1      GLN  81  -9.841  -9.284   2.731
  605   HE21  GLN  81          HE21      GLN  81 -11.451 -10.006   5.732
  606   HE22  GLN  81          HE22      GLN  81 -12.226 -11.454   5.189
  607    H    ARG  82           HN       ARG  82  -8.438  -7.088   2.477
  608    HA   ARG  82           HA       ARG  82  -8.719  -8.430  -0.036
  609    HE   ARG  82           HE       ARG  82 -11.793  -5.967  -2.938
  610    HB2  ARG  82           HB2      ARG  82 -10.322  -6.779   0.968
  611    HB3  ARG  82           HB1      ARG  82  -9.132  -5.524   0.664
  612    HG2  ARG  82           HG2      ARG  82  -9.264  -5.968  -1.709
  613    HG3  ARG  82           HG1      ARG  82 -10.465  -7.227  -1.418
  614    HD2  ARG  82           HD2      ARG  82 -11.844  -5.460  -0.256
  615    HD3  ARG  82           HD1      ARG  82 -10.714  -4.274  -0.902
  616   HH11  ARG  82          HH11      ARG  82 -12.402  -3.141  -0.966
  617   HH12  ARG  82          HH12      ARG  82 -13.517  -2.444  -2.097
  618   HH21  ARG  82          HH21      ARG  82 -13.289  -5.079  -4.405
  619   HH22  ARG  82          HH22      ARG  82 -14.066  -3.567  -4.037
  620    H    LEU  83           HN       LEU  83  -6.295  -6.646   1.516
  621    HA   LEU  83           HA       LEU  83  -5.098  -5.569  -0.889
  622    HG   LEU  83           HG       LEU  83  -4.684  -3.296   0.120
  623    HB2  LEU  83           HB2      LEU  83  -4.889  -5.001   1.846
  624    HB3  LEU  83           HB1      LEU  83  -3.325  -5.657   1.397
  625   HD11  LEU  83          HD11      LEU  83  -2.202  -3.382   1.802
  626   HD12  LEU  83          HD12      LEU  83  -3.792  -2.870   2.370
  627   HD13  LEU  83          HD13      LEU  83  -2.969  -1.953   1.108
  628   HD21  LEU  83          HD21      LEU  83  -3.412  -4.461  -1.557
  629   HD22  LEU  83          HD22      LEU  83  -2.025  -4.571  -0.472
  630   HD23  LEU  83          HD23      LEU  83  -2.541  -3.000  -1.086
  631    H    MET  84           HN       MET  84  -4.540  -8.191   1.408
  632    HA   MET  84           HA       MET  84  -2.151  -9.197   0.351
  633    HB2  MET  84           HB2      MET  84  -4.442 -10.755   1.569
  634    HB3  MET  84           HB1      MET  84  -2.789 -11.324   1.389
  635    HG2  MET  84           HG2      MET  84  -1.996  -9.677   2.943
  636    HG3  MET  84           HG1      MET  84  -3.597  -8.945   3.037
  637    HE1  MET  84           HE1      MET  84  -3.564  -9.075   5.690
  638    HE2  MET  84           HE2      MET  84  -1.934  -9.748   5.584
  639    HE3  MET  84           HE3      MET  84  -3.153 -10.546   6.576
  640    H    GLN  85           HN       GLN  85  -5.510  -9.790  -0.524
  641    HA   GLN  85           HA       GLN  85  -5.127 -11.783  -2.456
  642    HB2  GLN  85           HB2      GLN  85  -7.234  -9.629  -2.224
  643    HB3  GLN  85           HB1      GLN  85  -7.320 -10.953  -3.369
  644    HG2  GLN  85           HG2      GLN  85  -7.240 -11.237  -0.375
  645    HG3  GLN  85           HG1      GLN  85  -8.689 -11.328  -1.370
  646   HE21  GLN  85          HE21      GLN  85  -7.394 -12.836  -3.511
  647   HE22  GLN  85          HE22      GLN  85  -7.178 -14.439  -2.898
  648    H    HIS  86           HN       HIS  86  -4.729  -8.316  -2.591
  649    HA   HIS  86           HA       HIS  86  -4.846  -8.250  -5.478
  650    HD1  HIS  86           HD1      HIS  86  -6.538  -6.200  -6.539
  651    HD2  HIS  86           HD2      HIS  86  -2.957  -4.338  -5.508
  652    HE1  HIS  86           HE1      HIS  86  -6.056  -4.582  -8.398
  653    HE2  HIS  86           HE2      HIS  86  -3.895  -3.464  -7.773
  654    HB2  HIS  86           HB2      HIS  86  -5.773  -6.443  -3.984
  655    HB3  HIS  86           HB1      HIS  86  -4.112  -5.975  -3.635
  656    H    LEU  87           HN       LEU  87  -2.370  -8.552  -3.082
  657    HA   LEU  87           HA       LEU  87  -0.300  -7.893  -5.024
  658    HG   LEU  87           HG       LEU  87   1.572  -6.753  -2.358
  659    HB2  LEU  87           HB2      LEU  87  -0.192  -8.822  -2.165
  660    HB3  LEU  87           HB1      LEU  87   1.237  -8.803  -3.173
  661   HD11  LEU  87          HD11      LEU  87   0.764  -6.274  -4.688
  662   HD12  LEU  87          HD12      LEU  87   0.615  -4.936  -3.539
  663   HD13  LEU  87          HD13      LEU  87  -0.808  -5.883  -3.975
  664   HD21  LEU  87          HD21      LEU  87  -0.066  -5.455  -1.126
  665   HD22  LEU  87          HD22      LEU  87  -0.071  -7.138  -0.591
  666   HD23  LEU  87          HD23      LEU  87  -1.349  -6.549  -1.655
  667    H    ALA  88           HN       ALA  88  -1.767 -10.678  -3.495
  668    HA   ALA  88           HA       ALA  88   0.044 -12.636  -4.416
  669    HB1  ALA  88           HB1      ALA  88  -1.714 -14.240  -3.832
  670    HB2  ALA  88           HB2      ALA  88  -2.860 -12.911  -3.651
  671    HB3  ALA  88           HB3      ALA  88  -1.475 -13.039  -2.564
  672    H    GLU  89           HN       GLU  89  -2.280 -10.833  -6.106
  673    HA   GLU  89           HA       GLU  89  -2.721 -12.883  -8.126
  674    HB2  GLU  89           HB2      GLU  89  -4.257 -11.225  -9.120
  675    HB3  GLU  89           HB1      GLU  89  -4.648 -11.641  -7.461
  676    HG2  GLU  89           HG2      GLU  89  -3.724  -9.601  -6.651
  677    HG3  GLU  89           HG1      GLU  89  -3.103  -9.194  -8.245
  678    H    HIS  90           HN       HIS  90  -0.342 -10.653  -7.566
  679    HA   HIS  90           HA       HIS  90   0.226 -10.462 -10.453
  680    HD1  HIS  90           HD1      HIS  90  -0.513  -7.911 -12.031
  681    HD2  HIS  90           HD2      HIS  90  -2.154  -7.745  -8.219
  682    HE1  HIS  90           HE1      HIS  90  -2.864  -7.075 -12.344
  683    HE2  HIS  90           HE2      HIS  90  -3.910  -7.270 -10.053
  684    HB2  HIS  90           HB2      HIS  90   0.546  -8.230  -8.443
  685    HB3  HIS  90           HB1      HIS  90   1.201  -8.189 -10.076
  686    H    GLY  91           HN       GLY  91   1.233 -12.221  -8.246
  687    HA2  GLY  91           HA2      GLY  91   3.233 -13.142  -7.578
  688    HA3  GLY  91           HA1      GLY  91   3.888 -12.454  -9.054
  689    H    ILE  92           HN       ILE  92   2.572 -10.766  -6.265
  690    HA   ILE  92           HA       ILE  92   4.847  -8.984  -6.221
  691    HB   ILE  92           HB       ILE  92   2.351  -9.164  -4.530
  692   HG12  ILE  92          HG12      ILE  92   1.870  -8.551  -6.790
  693   HG13  ILE  92          HG11      ILE  92   1.797  -7.088  -5.818
  694   HG21  ILE  92          HG21      ILE  92   2.937  -6.913  -3.727
  695   HG22  ILE  92          HG22      ILE  92   4.498  -7.050  -4.534
  696   HG23  ILE  92          HG23      ILE  92   4.093  -8.137  -3.204
  697   HD11  ILE  92          HD11      ILE  92   2.916  -6.694  -7.932
  698   HD12  ILE  92          HD12      ILE  92   4.109  -7.934  -7.540
  699   HD13  ILE  92          HD13      ILE  92   4.019  -6.458  -6.576
  700    H    GLN  93           HN       GLN  93   6.252  -8.670  -4.462
  701    HA   GLN  93           HA       GLN  93   6.876 -11.121  -3.038
  702    HB2  GLN  93           HB2      GLN  93   8.348  -8.480  -3.135
  703    HB3  GLN  93           HB1      GLN  93   8.958  -9.975  -2.438
  704    HG2  GLN  93           HG2      GLN  93   8.937 -11.028  -4.622
  705    HG3  GLN  93           HG1      GLN  93   8.272  -9.560  -5.340
  706   HE21  GLN  93          HE21      GLN  93   9.591  -7.753  -5.595
  707   HE22  GLN  93          HE22      GLN  93  11.317  -7.856  -5.455
  708    HA   PRO  94           HA       PRO  94   5.123  -9.378   0.699
  709    HB2  PRO  94           HB2      PRO  94   5.096 -11.703   2.091
  710    HB3  PRO  94           HB1      PRO  94   3.896 -11.303   0.862
  711    HG2  PRO  94           HG2      PRO  94   6.091 -13.251   0.769
  712    HG3  PRO  94           HG1      PRO  94   4.619 -13.168  -0.209
  713    HD2  PRO  94           HD2      PRO  94   7.272 -12.323  -0.915
  714    HD3  PRO  94           HD1      PRO  94   5.802 -12.254  -1.904
  715    H    ALA  95           HN       ALA  95   5.911  -8.795   2.722
  716    HA   ALA  95           HA       ALA  95   8.794  -9.196   3.039
  717    HB1  ALA  95           HB1      ALA  95   8.751  -7.236   4.474
  718    HB2  ALA  95           HB2      ALA  95   6.994  -7.163   4.348
  719    HB3  ALA  95           HB3      ALA  95   7.993  -6.885   2.920
  720    H    ARG  96           HN       ARG  96   6.197 -10.759   4.054
  721    HA   ARG  96           HA       ARG  96   6.853 -11.052   6.841
  722    HE   ARG  96           HE       ARG  96   3.864  -8.681   7.383
  723    HB2  ARG  96           HB2      ARG  96   4.999 -12.565   5.000
  724    HB3  ARG  96           HB1      ARG  96   5.236 -13.007   6.689
  725    HG2  ARG  96           HG2      ARG  96   4.260 -10.331   5.704
  726    HG3  ARG  96           HG1      ARG  96   3.249 -11.611   6.385
  727    HD2  ARG  96           HD2      ARG  96   4.195 -11.377   8.516
  728    HD3  ARG  96           HD1      ARG  96   5.588 -10.496   7.896
  729   HH11  ARG  96          HH11      ARG  96   3.512 -10.960  10.008
  730   HH12  ARG  96          HH12      ARG  96   2.758  -9.814  11.072
  731   HH21  ARG  96          HH21      ARG  96   2.868  -7.143   8.797
  732   HH22  ARG  96          HH22      ARG  96   2.383  -7.660  10.382
  733    H    ASN  97           HN       ASN  97   8.115 -12.171   3.955
  734    HA   ASN  97           HA       ASN  97   9.784 -14.085   5.441
  735    HB2  ASN  97           HB2      ASN  97  10.277 -15.210   3.325
  736    HB3  ASN  97           HB1      ASN  97   8.541 -15.191   3.602
  737   HD21  ASN  97          HD21      ASN  97  11.159 -13.966   1.684
  738   HD22  ASN  97          HD22      ASN  97  10.186 -13.273   0.435
  739    H    MET  98           HN       MET  98  12.087 -14.113   4.527
  740    HA   MET  98           HA       MET  98  12.892 -11.308   4.492
  741    HB2  MET  98           HB2      MET  98  13.867 -12.940   6.127
  742    HB3  MET  98           HB1      MET  98  14.631 -13.765   4.777
  743    HG2  MET  98           HG2      MET  98  15.115 -10.851   5.274
  744    HG3  MET  98           HG1      MET  98  16.007 -12.087   6.158
  745    HE1  MET  98           HE1      MET  98  18.566 -10.680   3.507
  746    HE2  MET  98           HE2      MET  98  18.241 -10.919   5.225
  747    HE3  MET  98           HE3      MET  98  17.279  -9.769   4.295
  748    H    ALA  99           HN       ALA  99  13.803 -10.306   2.819
  749    HA   ALA  99           HA       ALA  99  14.883 -11.860   0.599
  750    HB1  ALA  99           HB1      ALA  99  13.654 -10.624  -1.078
  751    HB2  ALA  99           HB2      ALA  99  12.839  -9.682   0.169
  752    HB3  ALA  99           HB3      ALA  99  12.522 -11.412   0.022
  753    H    GLU 100           HN       GLU 100  15.390  -9.803  -1.140
  754    HA   GLU 100           HA       GLU 100  17.890  -9.074  -0.515
  755    HB2  GLU 100           HB2      GLU 100  16.017  -7.306  -2.087
  756    HB3  GLU 100           HB1      GLU 100  17.771  -7.354  -2.210
  757    HG2  GLU 100           HG2      GLU 100  17.621  -9.686  -2.990
  758    HG3  GLU 100           HG1      GLU 100  15.863  -9.560  -2.945
  759    H    HIS 101           HN       HIS 101  15.320  -6.588  -0.295
  760    HA   HIS 101           HA       HIS 101  16.991  -5.254   1.728
  761    HD1  HIS 101           HD1      HIS 101  13.487  -2.727   1.349
  762    HD2  HIS 101           HD2      HIS 101  14.457  -4.882  -2.072
  763    HE1  HIS 101           HE1      HIS 101  11.371  -2.837  -0.002
  764    HE2  HIS 101           HE2      HIS 101  11.936  -4.319  -1.959
  765    HB2  HIS 101           HB2      HIS 101  15.985  -3.160   1.094
  766    HB3  HIS 101           HB1      HIS 101  16.535  -3.967  -0.369
  767    H    ILE 102           HN       ILE 102  14.989  -7.439   2.120
  768    HA   ILE 102           HA       ILE 102  12.935  -6.022   3.662
  769    HB   ILE 102           HB       ILE 102  13.089  -8.940   2.885
  770   HG12  ILE 102          HG12      ILE 102  11.364  -6.657   1.894
  771   HG13  ILE 102          HG11      ILE 102  12.594  -7.519   0.978
  772   HG21  ILE 102          HG21      ILE 102  10.811  -9.100   3.781
  773   HG22  ILE 102          HG22      ILE 102  10.924  -7.434   4.349
  774   HG23  ILE 102          HG23      ILE 102  11.981  -8.670   5.028
  775   HD11  ILE 102          HD11      ILE 102  10.016  -8.688   1.999
  776   HD12  ILE 102          HD12      ILE 102  11.245  -9.546   1.070
  777   HD13  ILE 102          HD13      ILE 102  10.357  -8.209   0.337
  778    HA   PRO 103           HA       PRO 103  15.523  -6.849   7.258
  779    HB2  PRO 103           HB2      PRO 103  13.148  -5.701   8.610
  780    HB3  PRO 103           HB1      PRO 103  14.846  -5.221   8.718
  781    HG2  PRO 103           HG2      PRO 103  13.079  -3.728   7.379
  782    HG3  PRO 103           HG1      PRO 103  14.739  -3.935   6.791
  783    HD2  PRO 103           HD2      PRO 103  12.219  -5.248   5.854
  784    HD3  PRO 103           HD1      PRO 103  13.591  -4.633   4.907
  785    HA   PRO 104           HA       PRO 104  13.489 -10.765   8.086
  786    HB2  PRO 104           HB2      PRO 104  15.356 -11.561   9.958
  787    HB3  PRO 104           HB1      PRO 104  15.517 -11.799   8.217
  788    HG2  PRO 104           HG2      PRO 104  16.711  -9.694   9.962
  789    HG3  PRO 104           HG1      PRO 104  17.426 -10.547   8.584
  790    HD2  PRO 104           HD2      PRO 104  16.502  -8.030   8.375
  791    HD3  PRO 104           HD1      PRO 104  16.382  -9.190   7.036
  792    H    ALA 105           HN       ALA 105  11.691 -10.624   9.256
  793    HA   ALA 105           HA       ALA 105  11.502  -9.184  11.710
  794    HB1  ALA 105           HB1      ALA 105   9.204 -10.050  11.785
  795    HB2  ALA 105           HB2      ALA 105   9.567 -11.118  10.429
  796    HB3  ALA 105           HB3      ALA 105   9.592  -9.368  10.205
  797    HA   PRO 106           HA       PRO 106  13.122 -12.473  14.260
  798    HB2  PRO 106           HB2      PRO 106  12.105 -10.807  16.468
  799    HB3  PRO 106           HB1      PRO 106  13.758 -11.328  16.125
  800    HG2  PRO 106           HG2      PRO 106  12.993  -8.781  15.779
  801    HG3  PRO 106           HG1      PRO 106  14.163  -9.559  14.695
  802    HD2  PRO 106           HD2      PRO 106  11.242  -9.035  14.270
  803    HD3  PRO 106           HD1      PRO 106  12.597  -8.855  13.135
  804    H    ASN 107           HN       ASN 107  12.285 -14.176  15.382
  805    HA   ASN 107           HA       ASN 107   9.367 -14.274  15.612
  806    HB2  ASN 107           HB2      ASN 107   9.667 -16.726  15.748
  807    HB3  ASN 107           HB1      ASN 107  10.356 -16.046  14.278
  808   HD21  ASN 107          HD21      ASN 107  11.018 -17.623  17.291
  809   HD22  ASN 107          HD22      ASN 107  12.691 -17.953  16.976
  810    H    TRP 108           HN       TRP 108  11.180 -12.945  17.524
  811    HA   TRP 108           HA       TRP 108  10.841 -14.623  19.904
  812    HD1  TRP 108           HD1      TRP 108  14.343 -12.352  17.982
  813    HE1  TRP 108           HE1      TRP 108  16.016 -14.223  17.391
  814    HE3  TRP 108           HE3      TRP 108  12.491 -16.055  20.984
  815    HZ2  TRP 108           HZ2      TRP 108  16.463 -16.921  18.098
  816    HZ3  TRP 108           HZ3      TRP 108  13.591 -18.255  20.959
  817    HH2  TRP 108           HH2      TRP 108  15.537 -18.676  19.544
  818    HB2  TRP 108           HB2      TRP 108  12.426 -12.060  19.625
  819    HB3  TRP 108           HB1      TRP 108  12.448 -13.168  20.993
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  -8.651  25.164   9.913
    2    H2   GLY   1           HT2      GLY   1  -7.572  24.909   8.630
    3    H3   GLY   1           HT3      GLY   1  -8.079  23.604   9.588
    4    HA2  GLY   1           HA1      GLY   1  -9.829  25.223   7.822
    5    HA3  GLY   1           HA2      GLY   1  -9.199  23.628   7.435
    6    H    HIS   2           HN       HIS   2 -11.625  23.356   7.202
    7    HA   HIS   2           HA       HIS   2 -12.968  22.896   9.758
    8    HD1  HIS   2           HD1      HIS   2 -16.224  21.963   6.475
    9    HD2  HIS   2           HD2      HIS   2 -15.462  22.397  10.543
   10    HE1  HIS   2           HE1      HIS   2 -18.199  20.941   7.653
   11    HE2  HIS   2           HE2      HIS   2 -17.599  21.005  10.099
   12    HB2  HIS   2           HB2      HIS   2 -14.243  24.136   8.116
   13    HB3  HIS   2           HB1      HIS   2 -13.975  22.890   6.905
   14    H    MET   3           HN       MET   3 -11.990  21.196   6.815
   15    HA   MET   3           HA       MET   3 -12.083  18.672   8.319
   16    HB2  MET   3           HB2      MET   3 -13.235  19.153   5.565
   17    HB3  MET   3           HB1      MET   3 -12.879  17.550   6.187
   18    HG2  MET   3           HG2      MET   3 -14.473  17.880   7.993
   19    HG3  MET   3           HG1      MET   3 -14.809  19.510   7.409
   20    HE1  MET   3           HE1      MET   3 -18.077  17.442   6.577
   21    HE2  MET   3           HE2      MET   3 -17.423  18.823   7.461
   22    HE3  MET   3           HE3      MET   3 -17.005  17.182   7.954
   23    H    SER   4           HN       SER   4 -10.274  17.478   8.064
   24    HA   SER   4           HA       SER   4  -8.267  18.363   6.163
   25    HG   SER   4           HG       SER   4  -7.971  15.271   8.669
   26    HB2  SER   4           HB2      SER   4  -6.952  16.443   7.265
   27    HB3  SER   4           HB1      SER   4  -7.366  17.826   8.279
   28    H    GLY   5           HN       GLY   5  -7.919  17.482   4.224
   29    HA2  GLY   5           HA2      GLY   5  -8.765  14.712   3.737
   30    HA3  GLY   5           HA1      GLY   5  -9.432  15.972   2.708
   31    H    PHE   6           HN       PHE   6  -7.955  13.865   1.654
   32    HA   PHE   6           HA       PHE   6  -5.374  15.127   1.004
   33    HD1  PHE   6           HD2      PHE   6  -3.054  13.674   1.929
   34    HD2  PHE   6           HD1      PHE   6  -4.954  11.907  -1.441
   35    HE1  PHE   6           HE2      PHE   6  -0.866  13.386   0.850
   36    HE2  PHE   6           HE1      PHE   6  -2.766  11.615  -2.528
   37    HZ   PHE   6           HZ       PHE   6  -0.711  12.365  -1.365
   38    HB2  PHE   6           HB2      PHE   6  -5.358  12.819   2.035
   39    HB3  PHE   6           HB1      PHE   6  -6.156  12.236   0.578
   40    H    LYS   7           HN       LYS   7  -8.119  13.376  -0.341
   41    HA   LYS   7           HA       LYS   7  -9.269  13.612  -2.271
   42    HB2  LYS   7           HB2      LYS   7  -8.977  16.015  -2.247
   43    HB3  LYS   7           HB1      LYS   7  -7.348  15.861  -2.893
   44    HG2  LYS   7           HG2      LYS   7  -8.237  14.966  -4.972
   45    HG3  LYS   7           HG1      LYS   7  -9.874  15.064  -4.329
   46    HD2  LYS   7           HD2      LYS   7  -8.079  17.462  -4.588
   47    HD3  LYS   7           HD1      LYS   7  -9.155  16.931  -5.881
   48    HE2  LYS   7           HE2      LYS   7 -11.039  17.080  -4.220
   49    HE3  LYS   7           HE1      LYS   7  -9.905  17.866  -3.121
   50    HZ1  LYS   7           HZ1      LYS   7 -10.620  18.846  -5.834
   51    HZ2  LYS   7           HZ2      LYS   7  -9.577  19.615  -4.741
   52    HZ3  LYS   7           HZ3      LYS   7 -11.225  19.464  -4.377
   53    H    HIS   8           HN       HIS   8  -9.255  12.474  -4.075
   54    HA   HIS   8           HA       HIS   8  -6.963  10.887  -4.668
   55    HD1  HIS   8           HD1      HIS   8 -10.253   9.315  -7.712
   56    HD2  HIS   8           HD2      HIS   8  -6.359   8.984  -6.282
   57    HE1  HIS   8           HE1      HIS   8  -9.129   7.621  -9.192
   58    HE2  HIS   8           HE2      HIS   8  -6.727   7.571  -8.429
   59    HB2  HIS   8           HB2      HIS   8  -9.227   9.978  -4.756
   60    HB3  HIS   8           HB1      HIS   8  -9.654  11.109  -6.029
   61    H    VAL   9           HN       VAL   9  -5.607  12.842  -5.181
   62    HA   VAL   9           HA       VAL   9  -5.809  13.472  -8.057
   63    HB   VAL   9           HB       VAL   9  -4.027  14.794  -5.989
   64   HG11  VAL   9          HG11      VAL   9  -3.157  14.882  -8.270
   65   HG12  VAL   9          HG12      VAL   9  -3.644  16.479  -7.703
   66   HG13  VAL   9          HG13      VAL   9  -4.674  15.590  -8.826
   67   HG21  VAL   9          HG21      VAL   9  -6.625  15.774  -7.170
   68   HG22  VAL   9          HG22      VAL   9  -5.542  16.724  -6.153
   69   HG23  VAL   9          HG23      VAL   9  -6.346  15.300  -5.494
   70    H    SER  10           HN       SER  10  -5.048  11.506  -8.757
   71    HA   SER  10           HA       SER  10  -3.589   9.678  -7.508
   72    HG   SER  10           HG       SER  10  -5.125   8.315  -9.750
   73    HB2  SER  10           HB2      SER  10  -3.365  10.220 -10.462
   74    HB3  SER  10           HB1      SER  10  -3.071   8.683  -9.643
   75    H    HIS  11           HN       HIS  11  -2.005  10.592  -6.249
   76    HA   HIS  11           HA       HIS  11   0.600  10.268  -7.447
   77    HD1  HIS  11           HD1      HIS  11  -0.434  14.591  -7.806
   78    HD2  HIS  11           HD2      HIS  11   2.224  11.603  -8.954
   79    HE1  HIS  11           HE1      HIS  11   0.366  15.237 -10.107
   80    HE2  HIS  11           HE2      HIS  11   1.926  13.380 -10.808
   81    HB2  HIS  11           HB2      HIS  11  -0.246  12.822  -6.096
   82    HB3  HIS  11           HB1      HIS  11   1.423  12.280  -6.007
   83    H    VAL  12           HN       VAL  12  -1.151  11.213  -4.491
   84    HA   VAL  12           HA       VAL  12  -1.559  10.022  -2.601
   85    HB   VAL  12           HB       VAL  12  -0.075   7.770  -3.934
   86   HG11  VAL  12          HG11      VAL  12  -1.294   6.295  -2.422
   87   HG12  VAL  12          HG12      VAL  12  -2.032   7.694  -1.641
   88   HG13  VAL  12          HG13      VAL  12  -0.292   7.435  -1.524
   89   HG21  VAL  12          HG21      VAL  12  -3.015   8.433  -3.923
   90   HG22  VAL  12          HG22      VAL  12  -2.309   6.953  -4.570
   91   HG23  VAL  12          HG23      VAL  12  -1.926   8.507  -5.310
   92    H    GLY  13           HN       GLY  13   1.669  10.443  -3.692
   93    HA2  GLY  13           HA2      GLY  13   3.486  11.024  -2.253
   94    HA3  GLY  13           HA1      GLY  13   2.682  10.157  -0.948
   95    H    TRP  14           HN       TRP  14   2.664   8.727  -4.023
   96    HA   TRP  14           HA       TRP  14   4.560   6.666  -3.134
   97    HD1  TRP  14           HD1      TRP  14   4.084   3.536  -3.702
   98    HE1  TRP  14           HE1      TRP  14   4.537   2.062  -5.767
   99    HE3  TRP  14           HE3      TRP  14   2.291   6.654  -7.341
  100    HZ2  TRP  14           HZ2      TRP  14   4.165   2.202  -8.558
  101    HZ3  TRP  14           HZ3      TRP  14   2.374   5.904  -9.683
  102    HH2  TRP  14           HH2      TRP  14   3.293   3.724 -10.277
  103    HB2  TRP  14           HB2      TRP  14   2.430   5.688  -3.408
  104    HB3  TRP  14           HB1      TRP  14   2.091   6.624  -4.855
  105    H    ASP  15           HN       ASP  15   6.273   6.129  -4.395
  106    HA   ASP  15           HA       ASP  15   6.558   7.541  -6.971
  107    HB2  ASP  15           HB2      ASP  15   8.291   8.002  -5.179
  108    HB3  ASP  15           HB1      ASP  15   8.766   6.318  -5.327
  109    HA   PRO  16           HA       PRO  16   5.807   4.118  -9.521
  110    HB2  PRO  16           HB2      PRO  16   8.662   4.496 -10.337
  111    HB3  PRO  16           HB1      PRO  16   7.230   4.239 -11.340
  112    HG2  PRO  16           HG2      PRO  16   8.324   6.697 -10.861
  113    HG3  PRO  16           HG1      PRO  16   6.618   6.435 -11.252
  114    HD2  PRO  16           HD2      PRO  16   7.780   7.356  -8.761
  115    HD3  PRO  16           HD1      PRO  16   6.064   7.205  -9.198
  116    H    GLN  17           HN       GLN  17   9.302   3.617  -8.948
  117    HA   GLN  17           HA       GLN  17   8.572   0.941  -7.988
  118    HB2  GLN  17           HB2      GLN  17  11.121   1.884  -9.265
  119    HB3  GLN  17           HB1      GLN  17  10.867   0.274  -8.604
  120    HG2  GLN  17           HG2      GLN  17   8.873   0.114 -10.172
  121    HG3  GLN  17           HG1      GLN  17   9.528   1.546 -10.963
  122   HE21  GLN  17          HE21      GLN  17   9.852   0.403 -12.882
  123   HE22  GLN  17          HE22      GLN  17  11.128  -0.753 -13.054
  124    H    ASN  18           HN       ASN  18   9.429   3.816  -6.687
  125    HA   ASN  18           HA       ASN  18  11.260   2.718  -4.698
  126    HB2  ASN  18           HB2      ASN  18  10.259   5.511  -5.186
  127    HB3  ASN  18           HB1      ASN  18  11.160   5.072  -3.738
  128   HD21  ASN  18          HD21      ASN  18  11.305   5.643  -7.130
  129   HD22  ASN  18          HD22      ASN  18  13.034   5.554  -7.291
  130    H    GLY  19           HN       GLY  19   7.912   3.394  -5.070
  131    HA2  GLY  19           HA2      GLY  19   6.300   2.358  -3.723
  132    HA3  GLY  19           HA1      GLY  19   7.501   2.183  -2.455
  133    H    PHE  20           HN       PHE  20   5.731   2.892  -1.109
  134    HA   PHE  20           HA       PHE  20   4.913   5.672  -1.287
  135    HD1  PHE  20           HD1      PHE  20   3.796   2.063  -1.239
  136    HD2  PHE  20           HD2      PHE  20   1.713   5.664  -0.328
  137    HE1  PHE  20           HE1      PHE  20   1.916   1.335  -2.650
  138    HE2  PHE  20           HE2      PHE  20  -0.167   4.940  -1.734
  139    HZ   PHE  20           HZ       PHE  20  -0.068   2.770  -2.898
  140    HB2  PHE  20           HB2      PHE  20   4.333   3.519   0.765
  141    HB3  PHE  20           HB1      PHE  20   3.662   5.145   0.818
  142    H    ASP  21           HN       ASP  21   5.505   7.291   0.176
  143    HA   ASP  21           HA       ASP  21   8.064   6.947   1.428
  144    HB2  ASP  21           HB2      ASP  21   7.339   9.123   0.437
  145    HB3  ASP  21           HB1      ASP  21   6.136   9.265   1.717
  146    H    VAL  22           HN       VAL  22   8.135   5.670   3.140
  147    HA   VAL  22           HA       VAL  22   5.919   5.223   4.865
  148    HB   VAL  22           HB       VAL  22   7.528   3.853   6.188
  149   HG11  VAL  22          HG11      VAL  22   6.211   2.877   4.386
  150   HG12  VAL  22          HG12      VAL  22   7.811   2.138   4.458
  151   HG13  VAL  22          HG13      VAL  22   7.450   3.338   3.218
  152   HG21  VAL  22          HG21      VAL  22   9.751   3.432   5.279
  153   HG22  VAL  22          HG22      VAL  22   9.566   5.136   5.700
  154   HG23  VAL  22          HG23      VAL  22   9.471   4.626   4.012
  155    H    ASN  23           HN       ASN  23   8.028   7.770   4.780
  156    HA   ASN  23           HA       ASN  23   8.275   8.092   7.650
  157    HB2  ASN  23           HB2      ASN  23  10.128   9.158   6.990
  158    HB3  ASN  23           HB1      ASN  23   9.591   9.166   5.315
  159   HD21  ASN  23          HD21      ASN  23   8.562  10.942   4.493
  160   HD22  ASN  23          HD22      ASN  23   8.565  12.483   5.302
  161    H    ASN  24           HN       ASN  24   6.480   9.586   4.960
  162    HA   ASN  24           HA       ASN  24   4.875  10.968   7.007
  163    HB2  ASN  24           HB2      ASN  24   4.102  12.494   5.212
  164    HB3  ASN  24           HB1      ASN  24   5.827  12.594   5.514
  165   HD21  ASN  24          HD21      ASN  24   7.155  12.417   3.852
  166   HD22  ASN  24          HD22      ASN  24   6.712  11.905   2.261
  167    H    LEU  25           HN       LEU  25   4.523   8.225   6.366
  168    HA   LEU  25           HA       LEU  25   2.310   7.803   4.673
  169    HG   LEU  25           HG       LEU  25   4.400   5.943   4.592
  170    HB2  LEU  25           HB2      LEU  25   3.591   6.294   6.896
  171    HB3  LEU  25           HB1      LEU  25   1.985   5.809   6.393
  172   HD11  LEU  25          HD11      LEU  25   4.368   3.523   4.692
  173   HD12  LEU  25          HD12      LEU  25   2.992   3.562   5.793
  174   HD13  LEU  25          HD13      LEU  25   4.557   4.192   6.312
  175   HD21  LEU  25          HD21      LEU  25   2.222   6.309   3.473
  176   HD22  LEU  25          HD22      LEU  25   1.670   4.756   4.107
  177   HD23  LEU  25          HD23      LEU  25   3.019   4.818   2.973
  178    H    ASP  26           HN       ASP  26   0.204   8.127   4.947
  179    HA   ASP  26           HA       ASP  26  -0.902   9.465   7.177
  180    HB2  ASP  26           HB2      ASP  26  -1.997   9.631   5.041
  181    HB3  ASP  26           HB1      ASP  26  -2.170   7.883   4.933
  182    HA   PRO  27           HA       PRO  27  -1.118   6.378  10.291
  183    HB2  PRO  27           HB2      PRO  27  -3.738   7.716  10.816
  184    HB3  PRO  27           HB1      PRO  27  -2.438   7.300  11.943
  185    HG2  PRO  27           HG2      PRO  27  -2.721   9.799  11.117
  186    HG3  PRO  27           HG1      PRO  27  -1.105   9.082  11.255
  187    HD2  PRO  27           HD2      PRO  27  -2.733   9.625   8.817
  188    HD3  PRO  27           HD1      PRO  27  -0.978   9.728   9.050
  189    H    ASP  28           HN       ASP  28  -4.005   6.886   8.251
  190    HA   ASP  28           HA       ASP  28  -5.107   4.341   9.063
  191    HB2  ASP  28           HB2      ASP  28  -5.988   6.466   7.137
  192    HB3  ASP  28           HB1      ASP  28  -6.719   4.866   7.074
  193    H    LEU  29           HN       LEU  29  -3.518   5.657   6.161
  194    HA   LEU  29           HA       LEU  29  -3.452   3.279   4.669
  195    HG   LEU  29           HG       LEU  29  -3.541   6.281   3.951
  196    HB2  LEU  29           HB2      LEU  29  -1.379   5.468   4.868
  197    HB3  LEU  29           HB1      LEU  29  -1.370   4.202   3.659
  198   HD11  LEU  29          HD11      LEU  29  -1.446   7.284   3.273
  199   HD12  LEU  29          HD12      LEU  29  -2.564   7.235   1.909
  200   HD13  LEU  29          HD13      LEU  29  -1.242   6.068   2.007
  201   HD21  LEU  29          HD21      LEU  29  -4.229   5.475   1.725
  202   HD22  LEU  29          HD22      LEU  29  -4.369   4.223   2.961
  203   HD23  LEU  29          HD23      LEU  29  -3.017   4.198   1.827
  204    H    ARG  30           HN       ARG  30  -1.193   4.590   7.041
  205    HA   ARG  30           HA       ARG  30   0.744   2.619   7.110
  206    HE   ARG  30           HE       ARG  30   3.480   2.074  10.802
  207    HB2  ARG  30           HB2      ARG  30   0.921   4.752   8.293
  208    HB3  ARG  30           HB1      ARG  30  -0.375   4.275   9.378
  209    HG2  ARG  30           HG2      ARG  30   1.643   4.002  10.563
  210    HG3  ARG  30           HG1      ARG  30   1.092   2.382  10.133
  211    HD2  ARG  30           HD2      ARG  30   2.656   2.314   8.282
  212    HD3  ARG  30           HD1      ARG  30   3.164   3.969   8.623
  213   HH11  ARG  30          HH11      ARG  30   4.982   3.687   8.073
  214   HH12  ARG  30          HH12      ARG  30   6.603   3.418   8.643
  215   HH21  ARG  30          HH21      ARG  30   5.613   1.777  11.581
  216   HH22  ARG  30          HH22      ARG  30   6.953   2.354  10.635
  217    H    SER  31           HN       SER  31  -2.241   2.837   9.023
  218    HA   SER  31           HA       SER  31  -1.893   0.476  10.490
  219    HG   SER  31           HG       SER  31  -3.838  -0.297  11.374
  220    HB2  SER  31           HB2      SER  31  -3.625   2.396  10.787
  221    HB3  SER  31           HB1      SER  31  -4.600   1.480   9.648
  222    H    LEU  32           HN       LEU  32  -3.587   1.097   7.425
  223    HA   LEU  32           HA       LEU  32  -4.698  -1.466   7.178
  224    HG   LEU  32           HG       LEU  32  -4.361  -1.792   4.179
  225    HB2  LEU  32           HB2      LEU  32  -5.531   0.404   5.881
  226    HB3  LEU  32           HB1      LEU  32  -4.000   0.514   5.027
  227   HD11  LEU  32          HD11      LEU  32  -5.845  -2.598   5.894
  228   HD12  LEU  32          HD12      LEU  32  -6.610  -2.739   4.310
  229   HD13  LEU  32          HD13      LEU  32  -7.082  -1.439   5.405
  230   HD21  LEU  32          HD21      LEU  32  -6.181  -1.192   2.589
  231   HD22  LEU  32          HD22      LEU  32  -4.863  -0.019   2.692
  232   HD23  LEU  32          HD23      LEU  32  -6.400   0.305   3.497
  233    H    PHE  33           HN       PHE  33  -1.850  -0.059   5.597
  234    HA   PHE  33           HA       PHE  33  -1.269  -2.290   4.022
  235    HD1  PHE  33           HD2      PHE  33  -1.923  -1.077   2.631
  236    HD2  PHE  33           HD1      PHE  33   1.050   1.797   3.750
  237    HE1  PHE  33           HE2      PHE  33  -2.885   0.546   1.056
  238    HE2  PHE  33           HE1      PHE  33   0.065   3.407   2.177
  239    HZ   PHE  33           HZ       PHE  33  -1.814   2.811   0.816
  240    HB2  PHE  33           HB2      PHE  33   0.654  -0.211   5.090
  241    HB3  PHE  33           HB1      PHE  33   0.981  -1.317   3.761
  242    H    SER  34           HN       SER  34  -0.030  -1.357   7.198
  243    HA   SER  34           HA       SER  34   1.653  -3.565   7.592
  244    HG   SER  34           HG       SER  34   2.557  -3.233  10.142
  245    HB2  SER  34           HB2      SER  34   1.824  -1.580   8.954
  246    HB3  SER  34           HB1      SER  34   0.194  -1.815   9.578
  247    H    ARG  35           HN       ARG  35  -1.786  -3.109   8.082
  248    HA   ARG  35           HA       ARG  35  -2.218  -5.537   9.541
  249    HE   ARG  35           HE       ARG  35  -6.843  -5.513  11.429
  250    HB2  ARG  35           HB2      ARG  35  -3.612  -3.395   9.564
  251    HB3  ARG  35           HB1      ARG  35  -4.262  -3.931   8.021
  252    HG2  ARG  35           HG2      ARG  35  -5.029  -5.991   9.106
  253    HG3  ARG  35           HG1      ARG  35  -4.479  -5.354  10.655
  254    HD2  ARG  35           HD2      ARG  35  -5.943  -3.397  10.334
  255    HD3  ARG  35           HD1      ARG  35  -6.554  -4.124   8.852
  256   HH11  ARG  35          HH11      ARG  35  -8.227  -4.050   8.571
  257   HH12  ARG  35          HH12      ARG  35  -9.835  -4.602   8.894
  258   HH21  ARG  35          HH21      ARG  35  -8.992  -6.240  11.880
  259   HH22  ARG  35          HH22      ARG  35 -10.280  -5.805  10.793
  260    H    ALA  36           HN       ALA  36  -2.145  -4.571   6.212
  261    HA   ALA  36           HA       ALA  36  -3.515  -6.914   5.227
  262    HB1  ALA  36           HB1      ALA  36  -3.223  -5.943   3.048
  263    HB2  ALA  36           HB2      ALA  36  -2.008  -4.821   3.661
  264    HB3  ALA  36           HB3      ALA  36  -3.691  -4.661   4.168
  265    H    GLY  37           HN       GLY  37  -0.377  -6.215   6.216
  266    HA2  GLY  37           HA2      GLY  37   1.107  -8.156   6.379
  267    HA3  GLY  37           HA1      GLY  37   0.614  -8.582   4.745
  268    H    ILE  38           HN       ILE  38   0.748  -5.555   4.205
  269    HA   ILE  38           HA       ILE  38   3.360  -5.583   3.061
  270    HB   ILE  38           HB       ILE  38   1.479  -3.236   3.348
  271   HG12  ILE  38          HG12      ILE  38   1.120  -3.744   0.837
  272   HG13  ILE  38          HG11      ILE  38   1.696  -5.353   1.212
  273   HG21  ILE  38          HG21      ILE  38   3.873  -3.673   1.578
  274   HG22  ILE  38          HG22      ILE  38   3.741  -2.538   2.920
  275   HG23  ILE  38          HG23      ILE  38   2.768  -2.302   1.467
  276   HD11  ILE  38          HD11      ILE  38  -0.820  -4.958   1.180
  277   HD12  ILE  38          HD12      ILE  38  -0.577  -4.087   2.698
  278   HD13  ILE  38          HD13      ILE  38  -0.147  -5.795   2.583
  279    H    SER  39           HN       SER  39   5.212  -5.100   4.137
  280    HA   SER  39           HA       SER  39   5.056  -3.569   6.617
  281    HG   SER  39           HG       SER  39   8.625  -5.060   5.501
  282    HB2  SER  39           HB2      SER  39   7.324  -4.271   7.020
  283    HB3  SER  39           HB1      SER  39   6.425  -5.680   6.460
  284    H    GLU  40           HN       GLU  40   7.140  -2.016   6.859
  285    HA   GLU  40           HA       GLU  40   6.767   0.120   5.061
  286    HB2  GLU  40           HB2      GLU  40   9.137  -0.447   6.857
  287    HB3  GLU  40           HB1      GLU  40   8.798   1.092   6.077
  288    HG2  GLU  40           HG2      GLU  40   6.669   1.207   7.322
  289    HG3  GLU  40           HG1      GLU  40   7.120  -0.273   8.166
  290    H    ALA  41           HN       ALA  41   9.106  -2.491   5.176
  291    HA   ALA  41           HA       ALA  41  10.739  -1.652   3.039
  292    HB1  ALA  41           HB1      ALA  41  11.557  -3.942   3.010
  293    HB2  ALA  41           HB2      ALA  41  10.198  -4.457   4.010
  294    HB3  ALA  41           HB3      ALA  41  11.409  -3.359   4.668
  295    H    GLN  42           HN       GLN  42   8.093  -4.050   3.135
  296    HA   GLN  42           HA       GLN  42   8.116  -4.647   0.399
  297    HB2  GLN  42           HB2      GLN  42   6.843  -5.718   2.469
  298    HB3  GLN  42           HB1      GLN  42   5.536  -4.691   1.897
  299    HG2  GLN  42           HG2      GLN  42   5.848  -5.741  -0.365
  300    HG3  GLN  42           HG1      GLN  42   6.925  -6.899   0.412
  301   HE21  GLN  42          HE21      GLN  42   4.442  -7.413  -0.946
  302   HE22  GLN  42          HE22      GLN  42   3.384  -8.146   0.208
  303    H    LEU  43           HN       LEU  43   6.555  -2.102   2.221
  304    HA   LEU  43           HA       LEU  43   4.747  -1.194   0.245
  305    HG   LEU  43           HG       LEU  43   4.529   1.733   0.969
  306    HB2  LEU  43           HB2      LEU  43   4.720  -0.716   2.724
  307    HB3  LEU  43           HB1      LEU  43   6.016   0.426   2.440
  308   HD11  LEU  43          HD11      LEU  43   3.070  -0.099   0.250
  309   HD12  LEU  43          HD12      LEU  43   2.147   1.239   0.934
  310   HD13  LEU  43          HD13      LEU  43   2.423  -0.218   1.887
  311   HD21  LEU  43          HD21      LEU  43   3.151   2.635   2.755
  312   HD22  LEU  43          HD22      LEU  43   4.766   2.250   3.354
  313   HD23  LEU  43          HD23      LEU  43   3.413   1.177   3.712
  314    H    THR  44           HN       THR  44   8.134  -0.872   0.575
  315    HA   THR  44           HA       THR  44   8.127   1.317  -1.383
  316    HB   THR  44           HB       THR  44  10.556   1.623  -0.660
  317    HG1  THR  44           HG1      THR  44   9.711   0.237   1.678
  318   HG21  THR  44          HG21      THR  44   8.342   2.116   1.342
  319   HG22  THR  44          HG22      THR  44   8.802   3.179   0.014
  320   HG23  THR  44          HG23      THR  44   9.916   2.913   1.357
  321    H    ASP  45           HN       ASP  45   8.092  -1.839  -1.484
  322    HA   ASP  45           HA       ASP  45  10.339  -2.316  -3.236
  323    HB2  ASP  45           HB2      ASP  45   8.149  -3.979  -2.132
  324    HB3  ASP  45           HB1      ASP  45   8.771  -4.459  -3.709
  325    H    ALA  46           HN       ALA  46  10.158  -2.920  -5.450
  326    HA   ALA  46           HA       ALA  46   8.928  -0.916  -6.928
  327    HB1  ALA  46           HB1      ALA  46  10.912  -2.167  -7.641
  328    HB2  ALA  46           HB2      ALA  46   9.668  -2.122  -8.890
  329    HB3  ALA  46           HB3      ALA  46   9.901  -3.585  -7.929
  330    H    GLU  47           HN       GLU  47   8.121  -4.388  -7.093
  331    HA   GLU  47           HA       GLU  47   5.804  -3.806  -8.678
  332    HB2  GLU  47           HB2      GLU  47   5.389  -6.290  -8.498
  333    HB3  GLU  47           HB1      GLU  47   6.907  -5.816  -9.237
  334    HG2  GLU  47           HG2      GLU  47   6.670  -6.635  -6.355
  335    HG3  GLU  47           HG1      GLU  47   7.004  -7.770  -7.659
  336    H    THR  48           HN       THR  48   6.401  -4.585  -5.325
  337    HA   THR  48           HA       THR  48   3.801  -5.198  -4.529
  338    HB   THR  48           HB       THR  48   5.777  -3.689  -2.825
  339    HG1  THR  48           HG1      THR  48   6.891  -5.535  -2.559
  340   HG21  THR  48          HG21      THR  48   3.659  -5.744  -2.191
  341   HG22  THR  48          HG22      THR  48   3.561  -4.015  -1.861
  342   HG23  THR  48          HG23      THR  48   4.753  -5.006  -1.021
  343    H    SER  49           HN       SER  49   5.465  -2.046  -4.283
  344    HA   SER  49           HA       SER  49   3.250  -0.716  -3.160
  345    HG   SER  49           HG       SER  49   6.593  -0.160  -4.759
  346    HB2  SER  49           HB2      SER  49   4.519   1.345  -3.623
  347    HB3  SER  49           HB1      SER  49   5.538   0.102  -2.898
  348    H    LYS  50           HN       LYS  50   4.427  -1.001  -6.453
  349    HA   LYS  50           HA       LYS  50   2.775   0.833  -7.720
  350    HB2  LYS  50           HB2      LYS  50   4.689  -0.298  -8.783
  351    HB3  LYS  50           HB1      LYS  50   3.793  -1.809  -8.773
  352    HG2  LYS  50           HG2      LYS  50   2.209  -0.965 -10.342
  353    HG3  LYS  50           HG1      LYS  50   2.896   0.659 -10.237
  354    HD2  LYS  50           HD2      LYS  50   4.977  -0.126 -11.202
  355    HD3  LYS  50           HD1      LYS  50   4.363  -1.779 -11.233
  356    HE2  LYS  50           HE2      LYS  50   2.673  -1.173 -12.835
  357    HE3  LYS  50           HE1      LYS  50   3.135   0.526 -12.725
  358    HZ1  LYS  50           HZ1      LYS  50   5.196   0.080 -13.747
  359    HZ2  LYS  50           HZ2      LYS  50   4.034  -0.713 -14.695
  360    HZ3  LYS  50           HZ3      LYS  50   5.001  -1.597 -13.617
  361    H    LEU  51           HN       LEU  51   2.166  -2.533  -6.816
  362    HA   LEU  51           HA       LEU  51  -0.417  -2.590  -8.043
  363    HG   LEU  51           HG       LEU  51   1.729  -4.718  -8.366
  364    HB2  LEU  51           HB2      LEU  51   0.954  -4.420  -6.102
  365    HB3  LEU  51           HB1      LEU  51  -0.710  -4.672  -6.597
  366   HD11  LEU  51          HD11      LEU  51  -0.267  -6.830  -7.584
  367   HD12  LEU  51          HD12      LEU  51   1.399  -6.706  -7.017
  368   HD13  LEU  51          HD13      LEU  51   1.068  -7.041  -8.717
  369   HD21  LEU  51          HD21      LEU  51  -1.187  -4.973  -9.097
  370   HD22  LEU  51          HD22      LEU  51   0.167  -5.294 -10.177
  371   HD23  LEU  51          HD23      LEU  51  -0.102  -3.663  -9.564
  372    H    ILE  52           HN       ILE  52   0.765  -2.053  -4.728
  373    HA   ILE  52           HA       ILE  52  -1.713  -1.829  -3.467
  374    HB   ILE  52           HB       ILE  52   0.871  -0.384  -2.928
  375   HG12  ILE  52          HG12      ILE  52  -0.503  -2.695  -1.544
  376   HG13  ILE  52          HG11      ILE  52   0.876  -2.831  -2.633
  377   HG21  ILE  52          HG21      ILE  52  -1.643  -0.426  -1.260
  378   HG22  ILE  52          HG22      ILE  52  -0.939   0.979  -2.068
  379   HG23  ILE  52          HG23      ILE  52  -0.081   0.202  -0.733
  380   HD11  ILE  52          HD11      ILE  52   1.477  -2.961  -0.251
  381   HD12  ILE  52          HD12      ILE  52   0.894  -1.308  -0.044
  382   HD13  ILE  52          HD13      ILE  52   2.268  -1.635  -1.101
  383    H    TYR  53           HN       TYR  53   0.162   0.659  -5.169
  384    HA   TYR  53           HA       TYR  53  -1.573   2.806  -4.688
  385    HD1  TYR  53           HD2      TYR  53  -1.082   5.256  -5.353
  386    HD2  TYR  53           HD1      TYR  53  -0.122   3.200  -8.966
  387    HE1  TYR  53           HE2      TYR  53  -1.852   7.196  -6.644
  388    HE2  TYR  53           HE1      TYR  53  -0.913   5.143 -10.265
  389    HH   TYR  53           HH       TYR  53  -2.725   7.147  -9.660
  390    HB2  TYR  53           HB2      TYR  53   0.599   3.263  -5.518
  391    HB3  TYR  53           HB1      TYR  53   0.369   2.214  -6.911
  392    H    ASP  54           HN       ASP  54  -1.418   0.584  -7.456
  393    HA   ASP  54           HA       ASP  54  -3.700   1.476  -8.819
  394    HB2  ASP  54           HB2      ASP  54  -2.352  -0.009 -10.024
  395    HB3  ASP  54           HB1      ASP  54  -2.222  -1.135  -8.679
  396    H    PHE  55           HN       PHE  55  -3.294  -0.847  -6.239
  397    HA   PHE  55           HA       PHE  55  -5.857  -1.857  -5.965
  398    HD1  PHE  55           HD1      PHE  55  -6.210  -3.938  -4.019
  399    HD2  PHE  55           HD2      PHE  55  -4.587  -0.588  -1.949
  400    HE1  PHE  55           HE1      PHE  55  -7.558  -4.495  -2.052
  401    HE2  PHE  55           HE2      PHE  55  -5.945  -1.148   0.020
  402    HZ   PHE  55           HZ       PHE  55  -7.433  -3.108  -0.031
  403    HB2  PHE  55           HB2      PHE  55  -4.093  -2.833  -4.714
  404    HB3  PHE  55           HB1      PHE  55  -3.649  -1.293  -3.993
  405    H    ILE  56           HN       ILE  56  -4.427   0.907  -4.239
  406    HA   ILE  56           HA       ILE  56  -6.697   1.668  -2.815
  407    HB   ILE  56           HB       ILE  56  -4.425   3.391  -3.808
  408   HG12  ILE  56          HG12      ILE  56  -4.835   2.005  -1.150
  409   HG13  ILE  56          HG11      ILE  56  -3.773   1.428  -2.430
  410   HG21  ILE  56          HG21      ILE  56  -5.012   4.904  -1.978
  411   HG22  ILE  56          HG22      ILE  56  -6.406   3.898  -1.592
  412   HG23  ILE  56          HG23      ILE  56  -6.335   4.751  -3.134
  413   HD11  ILE  56          HD11      ILE  56  -3.498   3.994  -0.895
  414   HD12  ILE  56          HD12      ILE  56  -2.458   3.490  -2.227
  415   HD13  ILE  56          HD13      ILE  56  -2.500   2.549  -0.736
  416    H    GLU  57           HN       GLU  57  -5.688   2.461  -6.080
  417    HA   GLU  57           HA       GLU  57  -7.620   4.532  -6.461
  418    HB2  GLU  57           HB2      GLU  57  -5.470   4.341  -7.735
  419    HB3  GLU  57           HB1      GLU  57  -6.130   2.934  -8.555
  420    HG2  GLU  57           HG2      GLU  57  -7.578   4.164  -9.815
  421    HG3  GLU  57           HG1      GLU  57  -7.685   5.464  -8.631
  422    H    ASP  58           HN       ASP  58  -7.681   1.109  -6.576
  423    HA   ASP  58           HA       ASP  58  -9.837   0.766  -8.396
  424    HB2  ASP  58           HB2      ASP  58  -8.359  -1.093  -7.927
  425    HB3  ASP  58           HB1      ASP  58  -8.783  -1.043  -6.219
  426    H    GLN  59           HN       GLN  59  -9.629   1.213  -4.895
  427    HA   GLN  59           HA       GLN  59 -12.471   0.833  -4.567
  428    HB2  GLN  59           HB2      GLN  59 -10.295   1.695  -2.680
  429    HB3  GLN  59           HB1      GLN  59 -11.990   1.802  -2.227
  430    HG2  GLN  59           HG2      GLN  59 -11.342  -0.231  -1.351
  431    HG3  GLN  59           HG1      GLN  59 -12.096  -0.684  -2.877
  432   HE21  GLN  59          HE21      GLN  59 -10.997  -2.597  -3.070
  433   HE22  GLN  59          HE22      GLN  59  -9.300  -2.667  -3.413
  434    H    GLY  60           HN       GLY  60 -10.650   3.321  -5.784
  435    HA2  GLY  60           HA2      GLY  60 -12.053   5.159  -6.676
  436    HA3  GLY  60           HA1      GLY  60 -12.762   5.265  -5.075
  437    H    GLY  61           HN       GLY  61 -10.049   4.787  -3.877
  438    HA2  GLY  61           HA2      GLY  61  -8.009   6.353  -4.365
  439    HA3  GLY  61           HA1      GLY  61  -9.210   7.584  -4.011
  440    H    LEU  62           HN       LEU  62  -7.449   8.007  -2.349
  441    HA   LEU  62           HA       LEU  62  -6.948   6.161  -0.287
  442    HG   LEU  62           HG       LEU  62  -4.580   6.781  -0.193
  443    HB2  LEU  62           HB2      LEU  62  -6.481   9.103  -0.584
  444    HB3  LEU  62           HB1      LEU  62  -6.177   8.308   0.947
  445   HD11  LEU  62          HD11      LEU  62  -3.779   7.286  -2.435
  446   HD12  LEU  62          HD12      LEU  62  -4.966   8.588  -2.577
  447   HD13  LEU  62          HD13      LEU  62  -5.507   6.913  -2.460
  448   HD21  LEU  62          HD21      LEU  62  -3.772   8.740   0.972
  449   HD22  LEU  62          HD22      LEU  62  -4.025   9.728  -0.467
  450   HD23  LEU  62          HD23      LEU  62  -2.805   8.455  -0.476
  451    H    GLU  63           HN       GLU  63  -9.207   8.903  -0.482
  452    HA   GLU  63           HA       GLU  63 -10.165   8.887   2.120
  453    HB2  GLU  63           HB2      GLU  63 -11.491   9.539  -0.498
  454    HB3  GLU  63           HB1      GLU  63 -12.380   9.641   1.011
  455    HG2  GLU  63           HG2      GLU  63 -11.588  11.802   0.408
  456    HG3  GLU  63           HG1      GLU  63 -10.719  11.258   1.838
  457    H    ALA  64           HN       ALA  64 -11.193   6.899  -0.623
  458    HA   ALA  64           HA       ALA  64 -13.382   5.681   0.712
  459    HB1  ALA  64           HB1      ALA  64 -11.842   4.731  -1.704
  460    HB2  ALA  64           HB2      ALA  64 -13.257   5.784  -1.724
  461    HB3  ALA  64           HB3      ALA  64 -13.405   4.117  -1.169
  462    H    VAL  65           HN       VAL  65 -10.025   4.747   0.171
  463    HA   VAL  65           HA       VAL  65 -10.207   2.106   1.125
  464    HB   VAL  65           HB       VAL  65  -7.883   4.005   0.872
  465   HG11  VAL  65          HG11      VAL  65  -7.756   1.081   1.601
  466   HG12  VAL  65          HG12      VAL  65  -7.371   2.423   2.676
  467   HG13  VAL  65          HG13      VAL  65  -6.380   2.125   1.247
  468   HG21  VAL  65          HG21      VAL  65  -8.750   1.587  -0.698
  469   HG22  VAL  65          HG22      VAL  65  -7.292   2.531  -1.003
  470   HG23  VAL  65          HG23      VAL  65  -8.882   3.271  -1.206
  471    H    ARG  66           HN       ARG  66  -9.532   5.154   2.759
  472    HA   ARG  66           HA       ARG  66  -8.767   4.066   5.244
  473    HE   ARG  66           HE       ARG  66  -7.872   7.629   6.883
  474    HB2  ARG  66           HB2      ARG  66 -10.073   6.719   4.617
  475    HB3  ARG  66           HB1      ARG  66  -9.308   6.306   6.148
  476    HG2  ARG  66           HG2      ARG  66  -7.168   6.039   5.004
  477    HG3  ARG  66           HG1      ARG  66  -7.933   6.462   3.473
  478    HD2  ARG  66           HD2      ARG  66  -6.830   8.408   4.329
  479    HD3  ARG  66           HD1      ARG  66  -8.569   8.653   4.474
  480   HH11  ARG  66          HH11      ARG  66  -6.763  10.354   5.005
  481   HH12  ARG  66          HH12      ARG  66  -6.177  11.226   6.378
  482   HH21  ARG  66          HH21      ARG  66  -7.130   8.763   8.695
  483   HH22  ARG  66          HH22      ARG  66  -6.400  10.331   8.497
  484    H    GLN  67           HN       GLN  67 -11.852   4.512   3.744
  485    HA   GLN  67           HA       GLN  67 -13.321   4.389   6.240
  486    HB2  GLN  67           HB2      GLN  67 -14.307   4.504   3.389
  487    HB3  GLN  67           HB1      GLN  67 -15.320   4.590   4.823
  488    HG2  GLN  67           HG2      GLN  67 -14.218   6.660   5.490
  489    HG3  GLN  67           HG1      GLN  67 -13.194   6.572   4.057
  490   HE21  GLN  67          HE21      GLN  67 -13.928   8.503   3.232
  491   HE22  GLN  67          HE22      GLN  67 -15.519   8.709   2.582
  492    H    GLU  68           HN       GLU  68 -12.480   2.360   3.524
  493    HA   GLU  68           HA       GLU  68 -14.298   0.316   3.618
  494    HB2  GLU  68           HB2      GLU  68 -11.315   0.184   3.170
  495    HB3  GLU  68           HB1      GLU  68 -12.371  -1.201   2.949
  496    HG2  GLU  68           HG2      GLU  68 -12.592   1.403   1.484
  497    HG3  GLU  68           HG1      GLU  68 -11.840  -0.057   0.852
  498    H    MET  69           HN       MET  69 -11.709   0.982   5.841
  499    HA   MET  69           HA       MET  69 -11.305  -1.408   7.159
  500    HB2  MET  69           HB2      MET  69 -11.320   1.414   8.185
  501    HB3  MET  69           HB1      MET  69 -10.901   0.050   9.210
  502    HG2  MET  69           HG2      MET  69  -9.136  -0.552   7.575
  503    HG3  MET  69           HG1      MET  69  -9.496   0.945   6.716
  504    HE1  MET  69           HE1      MET  69  -6.807   1.397   7.032
  505    HE2  MET  69           HE2      MET  69  -6.768  -0.122   7.927
  506    HE3  MET  69           HE3      MET  69  -6.032   1.330   8.621
  507    H    ARG  70           HN       ARG  70 -13.883   0.920   7.558
  508    HA   ARG  70           HA       ARG  70 -15.326  -0.965   9.273
  509    HE   ARG  70           HE       ARG  70 -14.169   4.735   8.718
  510    HB2  ARG  70           HB2      ARG  70 -16.204   0.976  10.543
  511    HB3  ARG  70           HB1      ARG  70 -14.464   0.789  10.681
  512    HG2  ARG  70           HG2      ARG  70 -15.497   2.638   8.606
  513    HG3  ARG  70           HG1      ARG  70 -15.572   3.145  10.295
  514    HD2  ARG  70           HD2      ARG  70 -13.170   2.763  10.523
  515    HD3  ARG  70           HD1      ARG  70 -13.088   2.214   8.850
  516   HH11  ARG  70          HH11      ARG  70 -11.221   3.370  10.062
  517   HH12  ARG  70          HH12      ARG  70 -10.272   4.789   9.731
  518   HH21  ARG  70          HH21      ARG  70 -12.914   6.602   8.296
  519   HH22  ARG  70          HH22      ARG  70 -11.231   6.630   8.740
  520    H    ARG  71           HN       ARG  71 -15.381  -0.434   6.381
  521    HA   ARG  71           HA       ARG  71 -18.151   0.578   6.145
  522    HE   ARG  71           HE       ARG  71 -17.773   0.034   1.961
  523    HB2  ARG  71           HB2      ARG  71 -16.223   1.935   5.103
  524    HB3  ARG  71           HB1      ARG  71 -16.156   0.644   3.910
  525    HG2  ARG  71           HG2      ARG  71 -18.776   1.179   3.848
  526    HG3  ARG  71           HG1      ARG  71 -18.153   2.770   4.299
  527    HD2  ARG  71           HD2      ARG  71 -18.012   2.939   2.023
  528    HD3  ARG  71           HD1      ARG  71 -16.424   2.243   2.381
  529   HH11  ARG  71          HH11      ARG  71 -17.949   3.031   0.179
  530   HH12  ARG  71          HH12      ARG  71 -18.333   2.266  -1.330
  531   HH21  ARG  71          HH21      ARG  71 -18.281  -0.990   0.017
  532   HH22  ARG  71          HH22      ARG  71 -18.534  -0.044  -1.428
  533    H    GLN  72           HN       GLN  72 -16.144  -0.929   3.709
  534    HA   GLN  72           HA       GLN  72 -16.515  -2.622   2.259
  535    HB2  GLN  72           HB2      GLN  72 -15.970  -3.958   4.240
  536    HB3  GLN  72           HB1      GLN  72 -17.663  -3.968   4.708
  537    HG2  GLN  72           HG2      GLN  72 -16.943  -6.067   3.651
  538    HG3  GLN  72           HG1      GLN  72 -18.253  -5.272   2.782
  539   HE21  GLN  72          HE21      GLN  72 -17.757  -6.369   0.886
  540   HE22  GLN  72          HE22      GLN  72 -16.387  -5.955  -0.081
  541    H1   GLY  73           HT1      GLY  73 -17.095 -14.629   2.566
  542    H2   GLY  73           HT2      GLY  73 -16.710 -15.105   0.984
  543    H3   GLY  73           HT3      GLY  73 -18.102 -14.180   1.278
  544    HA2  GLY  73           HA1      GLY  73 -16.319 -12.834   0.337
  545    HA3  GLY  73           HA2      GLY  73 -16.794 -12.300   1.943
  546    H    HIS  74           HN       HIS  74 -14.299 -11.751   0.691
  547    HA   HIS  74           HA       HIS  74 -12.236 -13.453   1.509
  548    HD1  HIS  74           HD1      HIS  74 -14.126  -9.962   0.406
  549    HD2  HIS  74           HD2      HIS  74 -10.351  -8.972   1.863
  550    HE1  HIS  74           HE1      HIS  74 -14.192  -7.488   0.848
  551    HE2  HIS  74           HE2      HIS  74 -11.955  -6.948   1.875
  552    HB2  HIS  74           HB2      HIS  74 -10.725 -11.545   1.217
  553    HB3  HIS  74           HB1      HIS  74 -11.851 -11.682  -0.121
  554    H    MET  75           HN       MET  75 -10.905 -13.523   3.278
  555    HA   MET  75           HA       MET  75 -12.100 -13.754   5.676
  556    HB2  MET  75           HB2      MET  75  -9.845 -14.587   5.091
  557    HB3  MET  75           HB1      MET  75  -9.215 -12.965   5.340
  558    HG2  MET  75           HG2      MET  75  -9.904 -13.060   7.684
  559    HG3  MET  75           HG1      MET  75 -10.524 -14.690   7.431
  560    HE1  MET  75           HE1      MET  75  -8.954 -16.774   6.772
  561    HE2  MET  75           HE2      MET  75  -7.208 -16.640   6.562
  562    HE3  MET  75           HE3      MET  75  -8.296 -15.845   5.425
  563    H    LEU  76           HN       LEU  76  -9.737 -11.168   5.413
  564    HA   LEU  76           HA       LEU  76 -10.910  -9.560   7.404
  565    HG   LEU  76           HG       LEU  76  -7.557  -8.126   7.131
  566    HB2  LEU  76           HB2      LEU  76  -8.876  -9.112   5.279
  567    HB3  LEU  76           HB1      LEU  76  -9.603  -7.696   6.006
  568   HD11  LEU  76          HD11      LEU  76  -9.826  -9.107   8.846
  569   HD12  LEU  76          HD12      LEU  76  -9.388  -7.423   8.559
  570   HD13  LEU  76          HD13      LEU  76  -8.281  -8.486   9.427
  571   HD21  LEU  76          HD21      LEU  76  -7.279 -10.466   6.479
  572   HD22  LEU  76          HD22      LEU  76  -8.535 -10.932   7.627
  573   HD23  LEU  76          HD23      LEU  76  -7.021 -10.238   8.209
  574    HA   PRO  77           HA       PRO  77 -14.372  -8.222   5.085
  575    HB2  PRO  77           HB2      PRO  77 -15.480  -6.604   6.883
  576    HB3  PRO  77           HB1      PRO  77 -15.333  -8.340   7.202
  577    HG2  PRO  77           HG2      PRO  77 -13.606  -6.085   8.162
  578    HG3  PRO  77           HG1      PRO  77 -14.244  -7.466   9.073
  579    HD2  PRO  77           HD2      PRO  77 -11.695  -7.349   8.036
  580    HD3  PRO  77           HD1      PRO  77 -12.576  -8.861   8.354
  581    H    ASP  78           HN       ASP  78 -11.673  -6.583   5.138
  582    HA   ASP  78           HA       ASP  78 -12.835  -4.165   3.976
  583    HB2  ASP  78           HB2      ASP  78 -11.383  -2.712   5.255
  584    HB3  ASP  78           HB1      ASP  78 -12.327  -3.700   6.366
  585    H    VAL  79           HN       VAL  79 -10.622  -2.746   3.551
  586    HA   VAL  79           HA       VAL  79  -9.489  -3.691   1.229
  587    HB   VAL  79           HB       VAL  79  -7.545  -2.052   2.190
  588   HG11  VAL  79          HG11      VAL  79  -8.531  -0.343   0.828
  589   HG12  VAL  79          HG12      VAL  79 -10.086  -1.180   0.851
  590   HG13  VAL  79          HG13      VAL  79  -8.700  -1.906   0.034
  591   HG21  VAL  79          HG21      VAL  79  -8.532  -0.259   3.406
  592   HG22  VAL  79          HG22      VAL  79  -8.925  -1.749   4.267
  593   HG23  VAL  79          HG23      VAL  79 -10.141  -0.961   3.248
  594    H    ALA  80           HN       ALA  80  -8.523  -4.381   4.507
  595    HA   ALA  80           HA       ALA  80  -5.835  -4.926   4.196
  596    HB1  ALA  80           HB1      ALA  80  -6.904  -4.830   6.330
  597    HB2  ALA  80           HB2      ALA  80  -6.041  -6.363   6.154
  598    HB3  ALA  80           HB3      ALA  80  -7.801  -6.318   5.993
  599    H    GLN  81           HN       GLN  81  -8.422  -7.433   4.027
  600    HA   GLN  81           HA       GLN  81  -6.555  -9.369   3.052
  601    HB2  GLN  81           HB2      GLN  81  -9.209  -9.428   4.026
  602    HB3  GLN  81           HB1      GLN  81  -9.250 -10.096   2.399
  603    HG2  GLN  81           HG2      GLN  81  -7.301 -11.008   4.482
  604    HG3  GLN  81           HG1      GLN  81  -8.895 -11.732   4.280
  605   HE21  GLN  81          HE21      GLN  81  -6.220 -12.884   3.945
  606   HE22  GLN  81          HE22      GLN  81  -6.181 -13.521   2.334
  607    H    ARG  82           HN       ARG  82  -8.651  -7.027   1.672
  608    HA   ARG  82           HA       ARG  82  -8.794  -8.000  -0.966
  609    HE   ARG  82           HE       ARG  82  -9.840  -5.030  -4.415
  610    HB2  ARG  82           HB2      ARG  82 -10.295  -6.287  -0.121
  611    HB3  ARG  82           HB1      ARG  82  -8.945  -5.200   0.165
  612    HG2  ARG  82           HG2      ARG  82 -10.057  -4.474  -1.786
  613    HG3  ARG  82           HG1      ARG  82  -8.525  -5.195  -2.271
  614    HD2  ARG  82           HD2      ARG  82  -9.640  -7.212  -2.971
  615    HD3  ARG  82           HD1      ARG  82 -11.181  -6.614  -2.353
  616   HH11  ARG  82          HH11      ARG  82 -12.374  -7.319  -3.617
  617   HH12  ARG  82          HH12      ARG  82 -13.331  -6.936  -5.018
  618   HH21  ARG  82          HH21      ARG  82 -11.106  -4.512  -6.237
  619   HH22  ARG  82          HH22      ARG  82 -12.604  -5.349  -6.509
  620    H    LEU  83           HN       LEU  83  -6.399  -6.214   0.831
  621    HA   LEU  83           HA       LEU  83  -4.709  -5.628  -1.413
  622    HG   LEU  83           HG       LEU  83  -4.526  -3.301  -0.215
  623    HB2  LEU  83           HB2      LEU  83  -4.707  -5.084   1.415
  624    HB3  LEU  83           HB1      LEU  83  -3.140  -5.708   0.934
  625   HD11  LEU  83          HD11      LEU  83  -2.002  -3.480   1.394
  626   HD12  LEU  83          HD12      LEU  83  -3.569  -2.947   2.006
  627   HD13  LEU  83          HD13      LEU  83  -2.749  -2.012   0.753
  628   HD21  LEU  83          HD21      LEU  83  -3.297  -4.478  -1.945
  629   HD22  LEU  83          HD22      LEU  83  -1.857  -4.480  -0.926
  630   HD23  LEU  83          HD23      LEU  83  -2.508  -2.956  -1.530
  631    H    MET  84           HN       MET  84  -4.765  -8.083   1.128
  632    HA   MET  84           HA       MET  84  -2.378  -9.376   0.623
  633    HB2  MET  84           HB2      MET  84  -4.998 -10.652   1.435
  634    HB3  MET  84           HB1      MET  84  -3.407 -11.378   1.622
  635    HG2  MET  84           HG2      MET  84  -2.767  -9.610   3.162
  636    HG3  MET  84           HG1      MET  84  -4.340  -8.844   2.948
  637    HE1  MET  84           HE1      MET  84  -4.756  -8.772   5.528
  638    HE2  MET  84           HE2      MET  84  -3.176  -9.504   5.814
  639    HE3  MET  84           HE3      MET  84  -4.612 -10.169   6.593
  640    H    GLN  85           HN       GLN  85  -5.541 -10.031  -0.849
  641    HA   GLN  85           HA       GLN  85  -4.615 -12.085  -2.571
  642    HB2  GLN  85           HB2      GLN  85  -7.009 -10.269  -2.895
  643    HB3  GLN  85           HB1      GLN  85  -6.741 -11.775  -3.758
  644    HG2  GLN  85           HG2      GLN  85  -7.211 -11.448  -0.804
  645    HG3  GLN  85           HG1      GLN  85  -8.327 -12.118  -1.993
  646   HE21  GLN  85          HE21      GLN  85  -7.272 -13.312   0.419
  647   HE22  GLN  85          HE22      GLN  85  -6.461 -14.762  -0.068
  648    H    HIS  86           HN       HIS  86  -4.582  -8.625  -2.763
  649    HA   HIS  86           HA       HIS  86  -4.399  -8.471  -5.608
  650    HD1  HIS  86           HD1      HIS  86  -5.930  -6.368  -6.616
  651    HD2  HIS  86           HD2      HIS  86  -2.326  -4.639  -5.485
  652    HE1  HIS  86           HE1      HIS  86  -5.384  -4.719  -8.423
  653    HE2  HIS  86           HE2      HIS  86  -3.293  -3.564  -7.637
  654    HB2  HIS  86           HB2      HIS  86  -5.226  -6.648  -4.023
  655    HB3  HIS  86           HB1      HIS  86  -3.530  -6.320  -3.684
  656    H    LEU  87           HN       LEU  87  -2.073  -8.781  -3.007
  657    HA   LEU  87           HA       LEU  87   0.141  -8.341  -4.860
  658    HG   LEU  87           HG       LEU  87   1.562  -6.814  -1.885
  659    HB2  LEU  87           HB2      LEU  87   0.061  -8.908  -1.904
  660    HB3  LEU  87           HB1      LEU  87   1.554  -8.924  -2.818
  661   HD11  LEU  87          HD11      LEU  87   0.199  -6.438  -4.541
  662   HD12  LEU  87          HD12      LEU  87   1.932  -6.612  -4.259
  663   HD13  LEU  87          HD13      LEU  87   1.079  -5.192  -3.653
  664   HD21  LEU  87          HD21      LEU  87  -0.359  -5.349  -1.683
  665   HD22  LEU  87          HD22      LEU  87  -0.670  -6.907  -0.916
  666   HD23  LEU  87          HD23      LEU  87  -1.372  -6.544  -2.494
  667    H    ALA  88           HN       ALA  88  -1.256 -10.952  -2.925
  668    HA   ALA  88           HA       ALA  88   0.772 -12.831  -3.355
  669    HB1  ALA  88           HB1      ALA  88  -0.805 -14.474  -2.534
  670    HB2  ALA  88           HB2      ALA  88  -2.139 -13.346  -2.786
  671    HB3  ALA  88           HB3      ALA  88  -0.903 -12.994  -1.577
  672    H    GLU  89           HN       GLU  89  -1.980 -11.964  -5.335
  673    HA   GLU  89           HA       GLU  89  -1.818 -14.349  -6.952
  674    HB2  GLU  89           HB2      GLU  89  -3.460 -11.844  -7.236
  675    HB3  GLU  89           HB1      GLU  89  -3.554 -13.223  -8.322
  676    HG2  GLU  89           HG2      GLU  89  -4.073 -13.377  -5.368
  677    HG3  GLU  89           HG1      GLU  89  -5.327 -13.153  -6.584
  678    H    HIS  90           HN       HIS  90   0.186 -11.760  -6.857
  679    HA   HIS  90           HA       HIS  90   0.659 -11.957  -9.763
  680    HD1  HIS  90           HD1      HIS  90  -0.384 -10.190 -11.561
  681    HD2  HIS  90           HD2      HIS  90  -1.640  -8.574  -7.936
  682    HE1  HIS  90           HE1      HIS  90  -2.703  -9.303 -11.977
  683    HE2  HIS  90           HE2      HIS  90  -3.509  -8.486  -9.727
  684    HB2  HIS  90           HB2      HIS  90   0.899  -9.487  -8.044
  685    HB3  HIS  90           HB1      HIS  90   1.542  -9.606  -9.676
  686    H    GLY  91           HN       GLY  91   1.844 -13.179  -7.178
  687    HA2  GLY  91           HA2      GLY  91   3.914 -13.920  -6.510
  688    HA3  GLY  91           HA1      GLY  91   4.453 -13.543  -8.139
  689    H    ILE  92           HN       ILE  92   3.203 -11.329  -5.725
  690    HA   ILE  92           HA       ILE  92   5.260  -9.421  -6.171
  691    HB   ILE  92           HB       ILE  92   3.043  -9.658  -4.154
  692   HG12  ILE  92          HG12      ILE  92   2.344  -9.242  -6.423
  693   HG13  ILE  92          HG11      ILE  92   2.142  -7.766  -5.487
  694   HG21  ILE  92          HG21      ILE  92   3.494  -7.327  -3.523
  695   HG22  ILE  92          HG22      ILE  92   4.973  -7.370  -4.483
  696   HG23  ILE  92          HG23      ILE  92   4.810  -8.410  -3.069
  697   HD11  ILE  92          HD11      ILE  92   3.052  -7.299  -7.685
  698   HD12  ILE  92          HD12      ILE  92   4.419  -8.365  -7.358
  699   HD13  ILE  92          HD13      ILE  92   4.212  -6.884  -6.422
  700    H    GLN  93           HN       GLN  93   6.932  -8.770  -4.843
  701    HA   GLN  93           HA       GLN  93   8.323 -10.736  -3.389
  702    HB2  GLN  93           HB2      GLN  93   8.608  -7.731  -3.495
  703    HB3  GLN  93           HB1      GLN  93   9.721  -8.771  -2.618
  704    HG2  GLN  93           HG2      GLN  93   9.173  -8.939  -5.573
  705    HG3  GLN  93           HG1      GLN  93  10.549  -8.117  -4.841
  706   HE21  GLN  93          HE21      GLN  93   9.113 -11.172  -5.605
  707   HE22  GLN  93          HE22      GLN  93  10.493 -12.148  -5.243
  708    HA   PRO  94           HA       PRO  94   6.044 -10.330   0.417
  709    HB2  PRO  94           HB2      PRO  94   7.398 -12.207   1.803
  710    HB3  PRO  94           HB1      PRO  94   6.197 -12.613   0.571
  711    HG2  PRO  94           HG2      PRO  94   9.179 -12.613   0.393
  712    HG3  PRO  94           HG1      PRO  94   8.014 -13.752  -0.305
  713    HD2  PRO  94           HD2      PRO  94   9.234 -11.732  -1.712
  714    HD3  PRO  94           HD1      PRO  94   7.673 -12.448  -2.153
  715    H    ALA  95           HN       ALA  95   6.361  -9.414   2.422
  716    HA   ALA  95           HA       ALA  95   8.666  -7.766   2.753
  717    HB1  ALA  95           HB1      ALA  95   7.584  -7.047   4.813
  718    HB2  ALA  95           HB2      ALA  95   6.411  -8.354   4.660
  719    HB3  ALA  95           HB3      ALA  95   6.443  -7.053   3.469
  720    H    ARG  96           HN       ARG  96  10.309  -9.429   2.789
  721    HA   ARG  96           HA       ARG  96  11.083 -10.183   5.425
  722    HE   ARG  96           HE       ARG  96  11.354 -10.714   7.319
  723    HB2  ARG  96           HB2      ARG  96   9.262 -11.906   4.632
  724    HB3  ARG  96           HB1      ARG  96  10.577 -12.565   3.672
  725    HG2  ARG  96           HG2      ARG  96  10.636 -13.845   5.591
  726    HG3  ARG  96           HG1      ARG  96  11.876 -12.628   5.898
  727    HD2  ARG  96           HD2      ARG  96   9.031 -12.434   6.861
  728    HD3  ARG  96           HD1      ARG  96  10.353 -13.082   7.825
  729   HH11  ARG  96          HH11      ARG  96   8.018 -11.511   8.017
  730   HH12  ARG  96          HH12      ARG  96   7.684  -9.998   8.806
  731   HH21  ARG  96          HH21      ARG  96  10.915  -8.708   8.354
  732   HH22  ARG  96          HH22      ARG  96   9.327  -8.400   8.990
  733    H    ASN  97           HN       ASN  97  13.095 -11.584   5.338
  734    HA   ASN  97           HA       ASN  97  15.091 -12.235   4.543
  735    HB2  ASN  97           HB2      ASN  97  13.664 -12.010   1.975
  736    HB3  ASN  97           HB1      ASN  97  15.370 -12.401   2.003
  737   HD21  ASN  97          HD21      ASN  97  16.023 -14.373   2.819
  738   HD22  ASN  97          HD22      ASN  97  14.917 -15.683   3.078
  739    H    MET  98           HN       MET  98  14.602 -10.145   1.774
  740    HA   MET  98           HA       MET  98  16.439  -8.190   2.903
  741    HB2  MET  98           HB2      MET  98  17.900  -8.299   0.889
  742    HB3  MET  98           HB1      MET  98  17.975  -9.737   1.895
  743    HG2  MET  98           HG2      MET  98  16.472 -10.891   0.340
  744    HG3  MET  98           HG1      MET  98  16.428  -9.448  -0.674
  745    HE1  MET  98           HE1      MET  98  18.531  -8.506  -2.002
  746    HE2  MET  98           HE2      MET  98  20.142  -9.216  -1.902
  747    HE3  MET  98           HE3      MET  98  19.438  -8.424  -0.491
  748    H    ALA  99           HN       ALA  99  15.859  -6.215   2.390
  749    HA   ALA  99           HA       ALA  99  14.207  -5.809  -0.017
  750    HB1  ALA  99           HB1      ALA  99  12.804  -4.247   1.217
  751    HB2  ALA  99           HB2      ALA  99  13.733  -4.554   2.685
  752    HB3  ALA  99           HB3      ALA  99  12.769  -5.845   1.968
  753    H    GLU 100           HN       GLU 100  16.963  -5.423   0.101
  754    HA   GLU 100           HA       GLU 100  17.544  -2.652   0.608
  755    HB2  GLU 100           HB2      GLU 100  19.169  -4.856  -0.663
  756    HB3  GLU 100           HB1      GLU 100  19.779  -3.235  -0.361
  757    HG2  GLU 100           HG2      GLU 100  19.398  -3.536   2.032
  758    HG3  GLU 100           HG1      GLU 100  18.787  -5.162   1.726
  759    H    HIS 101           HN       HIS 101  15.590  -2.296  -0.902
  760    HA   HIS 101           HA       HIS 101  16.399  -2.135  -3.716
  761    HD1  HIS 101           HD1      HIS 101  12.568  -3.819  -1.813
  762    HD2  HIS 101           HD2      HIS 101  13.529   0.218  -1.511
  763    HE1  HIS 101           HE1      HIS 101  11.304  -2.969   0.180
  764    HE2  HIS 101           HE2      HIS 101  11.668  -0.478   0.154
  765    HB2  HIS 101           HB2      HIS 101  13.945  -1.529  -4.048
  766    HB3  HIS 101           HB1      HIS 101  14.264  -3.163  -3.478
  767    H    ILE 102           HN       ILE 102  16.926  -0.300  -1.187
  768    HA   ILE 102           HA       ILE 102  15.816   2.212  -2.158
  769    HB   ILE 102           HB       ILE 102  17.528   1.667   0.277
  770   HG12  ILE 102          HG12      ILE 102  14.542   2.104   0.046
  771   HG13  ILE 102          HG11      ILE 102  15.319   0.553   0.339
  772   HG21  ILE 102          HG21      ILE 102  15.970   4.124  -0.526
  773   HG22  ILE 102          HG22      ILE 102  17.726   3.969  -0.465
  774   HG23  ILE 102          HG23      ILE 102  16.781   3.888   1.023
  775   HD11  ILE 102          HD11      ILE 102  16.205   1.405   2.454
  776   HD12  ILE 102          HD12      ILE 102  14.444   1.478   2.394
  777   HD13  ILE 102          HD13      ILE 102  15.396   2.946   2.162
  778    HA   PRO 103           HA       PRO 103  19.656   3.001  -4.367
  779    HB2  PRO 103           HB2      PRO 103  18.403   5.591  -4.950
  780    HB3  PRO 103           HB1      PRO 103  18.913   4.322  -6.066
  781    HG2  PRO 103           HG2      PRO 103  16.314   4.860  -5.606
  782    HG3  PRO 103           HG1      PRO 103  16.894   3.217  -5.943
  783    HD2  PRO 103           HD2      PRO 103  16.188   4.477  -3.315
  784    HD3  PRO 103           HD1      PRO 103  15.818   2.846  -3.918
  785    HA   PRO 104           HA       PRO 104  21.434   5.289  -0.943
  786    HB2  PRO 104           HB2      PRO 104  23.991   5.271  -1.921
  787    HB3  PRO 104           HB1      PRO 104  23.264   3.919  -1.048
  788    HG2  PRO 104           HG2      PRO 104  23.595   4.312  -3.994
  789    HG3  PRO 104           HG1      PRO 104  23.821   2.844  -3.024
  790    HD2  PRO 104           HD2      PRO 104  21.597   3.264  -4.490
  791    HD3  PRO 104           HD1      PRO 104  21.558   2.399  -2.940
  792    H    ALA 105           HN       ALA 105  21.211   7.410  -0.777
  793    HA   ALA 105           HA       ALA 105  21.686   9.145  -3.062
  794    HB1  ALA 105           HB1      ALA 105  19.703   9.517  -1.667
  795    HB2  ALA 105           HB2      ALA 105  20.775  10.918  -1.657
  796    HB3  ALA 105           HB3      ALA 105  20.743   9.823  -0.275
  797    HA   PRO 106           HA       PRO 106  25.784   9.628  -1.319
  798    HB2  PRO 106           HB2      PRO 106  27.050  10.147  -3.623
  799    HB3  PRO 106           HB1      PRO 106  26.467   8.526  -3.229
  800    HG2  PRO 106           HG2      PRO 106  25.374  10.517  -5.132
  801    HG3  PRO 106           HG1      PRO 106  25.303   8.750  -5.189
  802    HD2  PRO 106           HD2      PRO 106  23.269  10.523  -4.310
  803    HD3  PRO 106           HD1      PRO 106  23.271   8.753  -4.196
  804    H    ASN 107           HN       ASN 107  26.703  11.359  -0.433
  805    HA   ASN 107           HA       ASN 107  25.969  14.029  -1.285
  806    HB2  ASN 107           HB2      ASN 107  26.197  13.527   1.118
  807    HB3  ASN 107           HB1      ASN 107  27.892  13.112   0.873
  808   HD21  ASN 107          HD21      ASN 107  28.630  14.697   2.265
  809   HD22  ASN 107          HD22      ASN 107  28.551  16.382   1.883
  810    H    TRP 108           HN       TRP 108  27.103  15.237  -2.662
  811    HA   TRP 108           HA       TRP 108  29.636  14.181  -3.655
  812    HD1  TRP 108           HD1      TRP 108  25.617  15.209  -5.061
  813    HE1  TRP 108           HE1      TRP 108  24.830  13.127  -6.364
  814    HE3  TRP 108           HE3      TRP 108  30.183  13.265  -6.296
  815    HZ2  TRP 108           HZ2      TRP 108  26.009  10.948  -7.726
  816    HZ3  TRP 108           HZ3      TRP 108  30.268  11.178  -7.595
  817    HH2  TRP 108           HH2      TRP 108  28.223  10.043  -8.295
  818    HB2  TRP 108           HB2      TRP 108  27.909  16.408  -4.762
  819    HB3  TRP 108           HB1      TRP 108  29.312  15.697  -5.550
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -14.753  14.198 -15.939
    2    H2   GLY   1           HT2      GLY   1 -14.334  14.730 -14.393
    3    H3   GLY   1           HT3      GLY   1 -14.615  15.857 -15.628
    4    HA2  GLY   1           HA1      GLY   1 -16.933  15.186 -15.743
    5    HA3  GLY   1           HA2      GLY   1 -16.635  14.040 -14.443
    6    H    HIS   2           HN       HIS   2 -18.551  16.118 -14.365
    7    HA   HIS   2           HA       HIS   2 -17.477  18.263 -12.757
    8    HD1  HIS   2           HD1      HIS   2 -21.765  18.672 -11.605
    9    HD2  HIS   2           HD2      HIS   2 -18.422  20.908 -12.662
   10    HE1  HIS   2           HE1      HIS   2 -21.990  20.857 -10.374
   11    HE2  HIS   2           HE2      HIS   2 -19.870  22.119 -10.893
   12    HB2  HIS   2           HB2      HIS   2 -19.419  18.575 -14.283
   13    HB3  HIS   2           HB1      HIS   2 -20.364  17.502 -13.257
   14    H    MET   3           HN       MET   3 -19.131  15.232 -12.264
   15    HA   MET   3           HA       MET   3 -18.727  15.546  -9.355
   16    HB2  MET   3           HB2      MET   3 -21.131  15.532  -9.950
   17    HB3  MET   3           HB1      MET   3 -20.914  13.974 -10.741
   18    HG2  MET   3           HG2      MET   3 -20.188  13.042  -8.552
   19    HG3  MET   3           HG1      MET   3 -20.609  14.584  -7.810
   20    HE1  MET   3           HE1      MET   3 -23.611  11.687  -9.774
   21    HE2  MET   3           HE2      MET   3 -21.886  11.373  -9.595
   22    HE3  MET   3           HE3      MET   3 -22.444  12.620 -10.712
   23    H    SER   4           HN       SER   4 -18.751  13.407 -12.147
   24    HA   SER   4           HA       SER   4 -17.610  11.207 -10.661
   25    HG   SER   4           HG       SER   4 -18.237  11.333 -14.639
   26    HB2  SER   4           HB2      SER   4 -17.528  10.181 -13.018
   27    HB3  SER   4           HB1      SER   4 -19.119  10.525 -12.340
   28    H    GLY   5           HN       GLY   5 -15.536  10.395 -10.916
   29    HA2  GLY   5           HA2      GLY   5 -13.567  11.106 -12.666
   30    HA3  GLY   5           HA1      GLY   5 -13.530  12.373 -11.444
   31    H    PHE   6           HN       PHE   6 -11.271  11.211 -11.418
   32    HA   PHE   6           HA       PHE   6 -11.391   8.917  -9.585
   33    HD1  PHE   6           HD2      PHE   6  -8.576   8.041  -8.641
   34    HD2  PHE   6           HD1      PHE   6 -10.188   7.032 -12.445
   35    HE1  PHE   6           HE2      PHE   6  -8.145   5.664  -8.189
   36    HE2  PHE   6           HE1      PHE   6  -9.758   4.653 -11.999
   37    HZ   PHE   6           HZ       PHE   6  -8.756   3.961  -9.891
   38    HB2  PHE   6           HB2      PHE   6  -9.925   9.250 -11.886
   39    HB3  PHE   6           HB1      PHE   6  -8.761   9.690 -10.641
   40    H    LYS   7           HN       LYS   7 -11.425   9.623  -7.534
   41    HA   LYS   7           HA       LYS   7 -10.318  12.125  -6.780
   42    HB2  LYS   7           HB2      LYS   7 -10.848  11.300  -4.417
   43    HB3  LYS   7           HB1      LYS   7 -12.181  11.546  -5.529
   44    HG2  LYS   7           HG2      LYS   7 -12.140   9.088  -5.992
   45    HG3  LYS   7           HG1      LYS   7 -10.962   8.932  -4.683
   46    HD2  LYS   7           HD2      LYS   7 -12.519   9.788  -3.084
   47    HD3  LYS   7           HD1      LYS   7 -13.667  10.221  -4.351
   48    HE2  LYS   7           HE2      LYS   7 -13.818   7.777  -4.905
   49    HE3  LYS   7           HE1      LYS   7 -12.862   7.456  -3.460
   50    HZ1  LYS   7           HZ1      LYS   7 -14.566   8.457  -2.109
   51    HZ2  LYS   7           HZ2      LYS   7 -15.264   7.251  -3.074
   52    HZ3  LYS   7           HZ3      LYS   7 -15.466   8.886  -3.481
   53    H    HIS   8           HN       HIS   8  -8.222  11.936  -7.470
   54    HA   HIS   8           HA       HIS   8  -6.459  11.226  -5.294
   55    HD1  HIS   8           HD1      HIS   8  -5.533   8.080  -8.997
   56    HD2  HIS   8           HD2      HIS   8  -5.994  12.212  -9.140
   57    HE1  HIS   8           HE1      HIS   8  -5.482   8.690 -11.422
   58    HE2  HIS   8           HE2      HIS   8  -6.043  11.143 -11.495
   59    HB2  HIS   8           HB2      HIS   8  -4.840  10.036  -6.680
   60    HB3  HIS   8           HB1      HIS   8  -6.385   9.203  -6.742
   61    H    VAL   9           HN       VAL   9  -4.266  12.194  -5.712
   62    HA   VAL   9           HA       VAL   9  -3.445  13.853  -7.694
   63    HB   VAL   9           HB       VAL   9  -5.532  15.179  -7.328
   64   HG11  VAL   9          HG11      VAL   9  -5.819  14.885  -4.945
   65   HG12  VAL   9          HG12      VAL   9  -5.727  16.603  -5.339
   66   HG13  VAL   9          HG13      VAL   9  -4.334  15.784  -4.632
   67   HG21  VAL   9          HG21      VAL   9  -2.971  16.627  -6.687
   68   HG22  VAL   9          HG22      VAL   9  -4.455  17.379  -7.271
   69   HG23  VAL   9          HG23      VAL   9  -3.579  16.243  -8.298
   70    H    SER  10           HN       SER  10  -3.914  13.312  -4.372
   71    HA   SER  10           HA       SER  10  -1.831  14.592  -3.122
   72    HG   SER  10           HG       SER  10  -4.324  13.272  -1.069
   73    HB2  SER  10           HB2      SER  10  -3.091  11.899  -2.596
   74    HB3  SER  10           HB1      SER  10  -2.163  12.827  -1.409
   75    H    HIS  11           HN       HIS  11  -1.756  11.808  -5.186
   76    HA   HIS  11           HA       HIS  11  -0.203  10.287  -5.810
   77    HD1  HIS  11           HD1      HIS  11   1.989  14.207  -5.825
   78    HD2  HIS  11           HD2      HIS  11   0.905  10.934  -8.150
   79    HE1  HIS  11           HE1      HIS  11   1.794  15.069  -8.175
   80    HE2  HIS  11           HE2      HIS  11   0.895  13.131  -9.501
   81    HB2  HIS  11           HB2      HIS  11   1.742  12.173  -4.480
   82    HB3  HIS  11           HB1      HIS  11   2.218  10.737  -5.375
   83    H    VAL  12           HN       VAL  12  -0.867  11.085  -2.681
   84    HA   VAL  12           HA       VAL  12  -1.116   9.955  -0.774
   85    HB   VAL  12           HB       VAL  12  -2.047   8.322  -2.581
   86   HG11  VAL  12          HG11      VAL  12   0.052   7.274  -3.184
   87   HG12  VAL  12          HG12      VAL  12  -1.076   6.095  -2.511
   88   HG13  VAL  12          HG13      VAL  12   0.258   6.701  -1.530
   89   HG21  VAL  12          HG21      VAL  12  -2.714   6.781  -0.806
   90   HG22  VAL  12          HG22      VAL  12  -2.834   8.470  -0.310
   91   HG23  VAL  12          HG23      VAL  12  -1.486   7.478   0.250
   92    H    GLY  13           HN       GLY  13   1.768  10.376  -1.997
   93    HA2  GLY  13           HA2      GLY  13   3.810  10.326  -0.858
   94    HA3  GLY  13           HA1      GLY  13   3.113   9.200   0.300
   95    H    TRP  14           HN       TRP  14   2.622   8.496  -3.006
   96    HA   TRP  14           HA       TRP  14   4.529   6.276  -2.793
   97    HD1  TRP  14           HD1      TRP  14   4.078   3.440  -3.703
   98    HE1  TRP  14           HE1      TRP  14   4.484   2.239  -5.941
   99    HE3  TRP  14           HE3      TRP  14   1.985   6.884  -6.846
  100    HZ2  TRP  14           HZ2      TRP  14   3.975   2.701  -8.686
  101    HZ3  TRP  14           HZ3      TRP  14   1.988   6.431  -9.264
  102    HH2  TRP  14           HH2      TRP  14   2.962   4.382 -10.165
  103    HB2  TRP  14           HB2      TRP  14   2.311   5.460  -3.096
  104    HB3  TRP  14           HB1      TRP  14   1.992   6.609  -4.391
  105    H    ASP  15           HN       ASP  15   6.162   6.066  -4.163
  106    HA   ASP  15           HA       ASP  15   6.239   7.766  -6.580
  107    HB2  ASP  15           HB2      ASP  15   8.005   8.352  -4.966
  108    HB3  ASP  15           HB1      ASP  15   8.544   6.677  -4.935
  109    HA   PRO  16           HA       PRO  16   5.746   4.117  -8.945
  110    HB2  PRO  16           HB2      PRO  16   7.372   4.847 -11.089
  111    HB3  PRO  16           HB1      PRO  16   5.665   5.254 -10.896
  112    HG2  PRO  16           HG2      PRO  16   8.087   6.886 -10.285
  113    HG3  PRO  16           HG1      PRO  16   6.533   7.394 -10.973
  114    HD2  PRO  16           HD2      PRO  16   7.130   7.884  -8.418
  115    HD3  PRO  16           HD1      PRO  16   5.482   7.414  -8.896
  116    H    GLN  17           HN       GLN  17   9.022   5.269  -8.328
  117    HA   GLN  17           HA       GLN  17  10.028   2.537  -8.778
  118    HB2  GLN  17           HB2      GLN  17  11.500   5.163  -8.663
  119    HB3  GLN  17           HB1      GLN  17  12.271   3.588  -8.793
  120    HG2  GLN  17           HG2      GLN  17  11.270   3.198 -10.930
  121    HG3  GLN  17           HG1      GLN  17  10.300   4.666 -10.790
  122   HE21  GLN  17          HE21      GLN  17  12.266   3.830 -12.805
  123   HE22  GLN  17          HE22      GLN  17  13.451   5.088 -12.858
  124    H    ASN  18           HN       ASN  18  10.001   5.192  -6.448
  125    HA   ASN  18           HA       ASN  18  11.691   3.805  -4.583
  126    HB2  ASN  18           HB2      ASN  18  10.019   6.299  -4.254
  127    HB3  ASN  18           HB1      ASN  18  11.115   5.673  -3.032
  128   HD21  ASN  18          HD21      ASN  18  12.384   7.489  -3.025
  129   HD22  ASN  18          HD22      ASN  18  13.424   7.913  -4.339
  130    H    GLY  19           HN       GLY  19   8.277   3.999  -5.126
  131    HA2  GLY  19           HA2      GLY  19   6.697   2.529  -4.214
  132    HA3  GLY  19           HA1      GLY  19   7.836   2.132  -2.934
  133    H    PHE  20           HN       PHE  20   6.033   2.417  -1.473
  134    HA   PHE  20           HA       PHE  20   4.991   5.072  -1.052
  135    HD1  PHE  20           HD1      PHE  20   3.762   1.476  -1.433
  136    HD2  PHE  20           HD2      PHE  20   2.169   4.976   0.395
  137    HE1  PHE  20           HE1      PHE  20   1.613   1.086  -2.563
  138    HE2  PHE  20           HE2      PHE  20   0.023   4.597  -0.740
  139    HZ   PHE  20           HZ       PHE  20  -0.264   2.646  -2.219
  140    HB2  PHE  20           HB2      PHE  20   4.821   2.509   0.529
  141    HB3  PHE  20           HB1      PHE  20   4.216   4.029   1.174
  142    H    ASP  21           HN       ASP  21   6.051   6.657  -0.047
  143    HA   ASP  21           HA       ASP  21   8.584   6.227   1.176
  144    HB2  ASP  21           HB2      ASP  21   7.955   8.369   0.086
  145    HB3  ASP  21           HB1      ASP  21   6.791   8.658   1.375
  146    H    VAL  22           HN       VAL  22   8.754   5.141   3.002
  147    HA   VAL  22           HA       VAL  22   6.561   4.753   4.753
  148    HB   VAL  22           HB       VAL  22   8.195   3.513   6.173
  149   HG11  VAL  22          HG11      VAL  22   8.114   2.834   3.236
  150   HG12  VAL  22          HG12      VAL  22   6.903   2.406   4.445
  151   HG13  VAL  22          HG13      VAL  22   8.522   1.712   4.534
  152   HG21  VAL  22          HG21      VAL  22  10.134   4.131   3.942
  153   HG22  VAL  22          HG22      VAL  22  10.427   3.105   5.349
  154   HG23  VAL  22          HG23      VAL  22  10.198   4.841   5.558
  155    H    ASN  23           HN       ASN  23   8.832   7.240   4.593
  156    HA   ASN  23           HA       ASN  23   8.756   7.907   7.408
  157    HB2  ASN  23           HB2      ASN  23  10.753   8.527   6.253
  158    HB3  ASN  23           HB1      ASN  23   9.850   9.312   4.964
  159   HD21  ASN  23          HD21      ASN  23   9.102  11.376   5.248
  160   HD22  ASN  23          HD22      ASN  23   9.571  12.370   6.583
  161    H    ASN  24           HN       ASN  24   7.228   8.947   4.418
  162    HA   ASN  24           HA       ASN  24   5.649  10.953   5.852
  163    HB2  ASN  24           HB2      ASN  24   6.045  10.375   2.919
  164    HB3  ASN  24           HB1      ASN  24   4.855  11.529   3.506
  165   HD21  ASN  24          HD21      ASN  24   8.258  10.825   3.170
  166   HD22  ASN  24          HD22      ASN  24   8.809  12.459   3.431
  167    H    LEU  25           HN       LEU  25   5.277   7.863   5.804
  168    HA   LEU  25           HA       LEU  25   2.810   7.369   4.521
  169    HG   LEU  25           HG       LEU  25   5.074   5.522   4.426
  170    HB2  LEU  25           HB2      LEU  25   4.307   5.977   6.708
  171    HB3  LEU  25           HB1      LEU  25   2.691   5.459   6.275
  172   HD11  LEU  25          HD11      LEU  25   5.232   3.765   6.105
  173   HD12  LEU  25          HD12      LEU  25   4.899   3.087   4.511
  174   HD13  LEU  25          HD13      LEU  25   3.602   3.216   5.700
  175   HD21  LEU  25          HD21      LEU  25   3.637   4.389   2.840
  176   HD22  LEU  25          HD22      LEU  25   2.955   5.957   3.272
  177   HD23  LEU  25          HD23      LEU  25   2.284   4.481   3.968
  178    H    ASP  26           HN       ASP  26   0.879   8.055   4.999
  179    HA   ASP  26           HA       ASP  26   0.110   9.360   7.384
  180    HB2  ASP  26           HB2      ASP  26  -1.065   9.615   5.211
  181    HB3  ASP  26           HB1      ASP  26  -1.603   7.944   5.315
  182    HA   PRO  27           HA       PRO  27  -0.047   5.979  10.238
  183    HB2  PRO  27           HB2      PRO  27  -2.296   7.590  11.357
  184    HB3  PRO  27           HB1      PRO  27  -0.883   6.910  12.171
  185    HG2  PRO  27           HG2      PRO  27  -0.989   9.503  11.610
  186    HG3  PRO  27           HG1      PRO  27   0.524   8.599  11.421
  187    HD2  PRO  27           HD2      PRO  27  -1.378   9.565   9.336
  188    HD3  PRO  27           HD1      PRO  27   0.391   9.438   9.282
  189    H    ASP  28           HN       ASP  28  -2.974   7.147   8.650
  190    HA   ASP  28           HA       ASP  28  -4.572   4.888   9.457
  191    HB2  ASP  28           HB2      ASP  28  -5.606   7.070   9.028
  192    HB3  ASP  28           HB1      ASP  28  -5.051   7.019   7.360
  193    H    LEU  29           HN       LEU  29  -2.891   5.909   6.496
  194    HA   LEU  29           HA       LEU  29  -3.467   3.617   4.951
  195    HG   LEU  29           HG       LEU  29  -3.082   6.616   4.304
  196    HB2  LEU  29           HB2      LEU  29  -1.028   5.393   4.953
  197    HB3  LEU  29           HB1      LEU  29  -1.381   4.191   3.729
  198   HD11  LEU  29          HD11      LEU  29  -1.032   6.037   2.171
  199   HD12  LEU  29          HD12      LEU  29  -0.975   7.300   3.406
  200   HD13  LEU  29          HD13      LEU  29  -2.175   7.383   2.116
  201   HD21  LEU  29          HD21      LEU  29  -4.188   6.020   2.193
  202   HD22  LEU  29          HD22      LEU  29  -4.360   4.737   3.391
  203   HD23  LEU  29          HD23      LEU  29  -3.191   4.570   2.081
  204    H    ARG  30           HN       ARG  30  -0.778   4.448   7.089
  205    HA   ARG  30           HA       ARG  30   0.721   2.111   6.844
  206    HE   ARG  30           HE       ARG  30   3.370   1.130  10.981
  207    HB2  ARG  30           HB2      ARG  30   1.523   4.163   7.934
  208    HB3  ARG  30           HB1      ARG  30   0.390   3.919   9.252
  209    HG2  ARG  30           HG2      ARG  30   2.427   1.820   8.647
  210    HG3  ARG  30           HG1      ARG  30   2.890   3.276   9.530
  211    HD2  ARG  30           HD2      ARG  30   0.984   2.791  11.101
  212    HD3  ARG  30           HD1      ARG  30   0.823   1.227  10.303
  213   HH11  ARG  30          HH11      ARG  30   0.597   2.212  12.830
  214   HH12  ARG  30          HH12      ARG  30   1.322   1.831  14.368
  215   HH21  ARG  30          HH21      ARG  30   4.326   0.653  12.995
  216   HH22  ARG  30          HH22      ARG  30   3.455   0.967  14.462
  217    H    SER  31           HN       SER  31  -2.030   2.881   8.924
  218    HA   SER  31           HA       SER  31  -2.078   0.618  10.537
  219    HG   SER  31           HG       SER  31  -4.926   1.611  11.876
  220    HB2  SER  31           HB2      SER  31  -3.597   2.700  10.617
  221    HB3  SER  31           HB1      SER  31  -4.571   1.885   9.405
  222    H    LEU  32           HN       LEU  32  -3.537   1.159   7.350
  223    HA   LEU  32           HA       LEU  32  -4.755  -1.379   7.155
  224    HG   LEU  32           HG       LEU  32  -4.330  -1.686   4.060
  225    HB2  LEU  32           HB2      LEU  32  -5.487   0.498   5.790
  226    HB3  LEU  32           HB1      LEU  32  -3.930   0.549   4.989
  227   HD11  LEU  32          HD11      LEU  32  -6.544  -2.701   4.236
  228   HD12  LEU  32          HD12      LEU  32  -7.040  -1.426   5.348
  229   HD13  LEU  32          HD13      LEU  32  -5.769  -2.556   5.813
  230   HD21  LEU  32          HD21      LEU  32  -6.129  -1.066   2.493
  231   HD22  LEU  32          HD22      LEU  32  -4.934   0.214   2.708
  232   HD23  LEU  32          HD23      LEU  32  -6.502   0.326   3.509
  233    H    PHE  33           HN       PHE  33  -1.786  -0.065   5.756
  234    HA   PHE  33           HA       PHE  33  -1.141  -2.343   4.260
  235    HD1  PHE  33           HD2      PHE  33  -1.863  -1.008   2.913
  236    HD2  PHE  33           HD1      PHE  33   1.287   1.663   4.001
  237    HE1  PHE  33           HE2      PHE  33  -2.738   0.674   1.348
  238    HE2  PHE  33           HE1      PHE  33   0.394   3.345   2.445
  239    HZ   PHE  33           HZ       PHE  33  -1.615   2.847   1.114
  240    HB2  PHE  33           HB2      PHE  33   0.774  -0.279   5.366
  241    HB3  PHE  33           HB1      PHE  33   1.090  -1.381   4.029
  242    H    SER  34           HN       SER  34  -0.168  -1.353   7.497
  243    HA   SER  34           HA       SER  34   1.523  -3.548   8.020
  244    HG   SER  34           HG       SER  34   2.165  -3.514  10.383
  245    HB2  SER  34           HB2      SER  34   1.603  -1.511   9.341
  246    HB3  SER  34           HB1      SER  34  -0.043  -1.781   9.907
  247    H    ARG  35           HN       ARG  35  -1.934  -3.068   8.236
  248    HA   ARG  35           HA       ARG  35  -2.502  -5.449   9.745
  249    HE   ARG  35           HE       ARG  35  -5.750  -2.975  10.753
  250    HB2  ARG  35           HB2      ARG  35  -3.946  -3.434   9.767
  251    HB3  ARG  35           HB1      ARG  35  -4.330  -3.719   8.073
  252    HG2  ARG  35           HG2      ARG  35  -5.213  -5.936   8.735
  253    HG3  ARG  35           HG1      ARG  35  -4.996  -5.464  10.414
  254    HD2  ARG  35           HD2      ARG  35  -6.673  -3.962   8.412
  255    HD3  ARG  35           HD1      ARG  35  -7.303  -5.109   9.595
  256   HH11  ARG  35          HH11      ARG  35  -8.928  -3.916   9.597
  257   HH12  ARG  35          HH12      ARG  35  -9.767  -2.828  10.677
  258   HH21  ARG  35          HH21      ARG  35  -6.849  -1.536  12.131
  259   HH22  ARG  35          HH22      ARG  35  -8.582  -1.480  12.111
  260    H    ALA  36           HN       ALA  36  -2.109  -4.570   6.435
  261    HA   ALA  36           HA       ALA  36  -3.325  -6.953   5.364
  262    HB1  ALA  36           HB1      ALA  36  -2.658  -6.077   3.212
  263    HB2  ALA  36           HB2      ALA  36  -1.599  -4.901   3.985
  264    HB3  ALA  36           HB3      ALA  36  -3.347  -4.776   4.181
  265    H    GLY  37           HN       GLY  37  -0.475  -6.366   6.925
  266    HA2  GLY  37           HA2      GLY  37   1.169  -7.993   7.362
  267    HA3  GLY  37           HA1      GLY  37   0.690  -8.837   5.894
  268    H    ILE  38           HN       ILE  38   0.840  -5.832   4.870
  269    HA   ILE  38           HA       ILE  38   3.353  -6.178   3.560
  270    HB   ILE  38           HB       ILE  38   1.637  -3.697   3.573
  271   HG12  ILE  38          HG12      ILE  38   1.392  -6.048   1.693
  272   HG13  ILE  38          HG11      ILE  38   0.330  -5.802   3.073
  273   HG21  ILE  38          HG21      ILE  38   2.580  -3.397   1.324
  274   HG22  ILE  38          HG22      ILE  38   3.545  -4.857   1.549
  275   HG23  ILE  38          HG23      ILE  38   3.831  -3.445   2.566
  276   HD11  ILE  38          HD11      ILE  38  -0.667  -5.050   0.980
  277   HD12  ILE  38          HD12      ILE  38   0.659  -3.909   0.762
  278   HD13  ILE  38          HD13      ILE  38  -0.452  -3.722   2.118
  279    H    SER  39           HN       SER  39   5.197  -5.795   4.590
  280    HA   SER  39           HA       SER  39   5.361  -4.058   6.855
  281    HG   SER  39           HG       SER  39   7.521  -6.561   4.895
  282    HB2  SER  39           HB2      SER  39   7.782  -4.638   6.804
  283    HB3  SER  39           HB1      SER  39   6.740  -6.060   6.774
  284    H    GLU  40           HN       GLU  40   7.075  -2.334   6.978
  285    HA   GLU  40           HA       GLU  40   6.644  -0.274   5.192
  286    HB2  GLU  40           HB2      GLU  40   9.079  -0.781   6.911
  287    HB3  GLU  40           HB1      GLU  40   8.743   0.737   6.092
  288    HG2  GLU  40           HG2      GLU  40   8.046   1.081   8.284
  289    HG3  GLU  40           HG1      GLU  40   6.557   0.772   7.393
  290    H    ALA  41           HN       ALA  41   9.281  -2.634   5.222
  291    HA   ALA  41           HA       ALA  41  10.701  -1.645   3.015
  292    HB1  ALA  41           HB1      ALA  41  11.627  -3.278   4.596
  293    HB2  ALA  41           HB2      ALA  41  11.761  -3.834   2.927
  294    HB3  ALA  41           HB3      ALA  41  10.510  -4.496   3.979
  295    H    GLN  42           HN       GLN  42   8.078  -3.998   3.248
  296    HA   GLN  42           HA       GLN  42   8.091  -4.840   0.571
  297    HB2  GLN  42           HB2      GLN  42   6.893  -5.871   2.587
  298    HB3  GLN  42           HB1      GLN  42   5.633  -4.679   2.304
  299    HG2  GLN  42           HG2      GLN  42   5.282  -5.574   0.070
  300    HG3  GLN  42           HG1      GLN  42   6.546  -6.773   0.347
  301   HE21  GLN  42          HE21      GLN  42   3.741  -7.162  -0.268
  302   HE22  GLN  42          HE22      GLN  42   3.076  -8.093   1.029
  303    H    LEU  43           HN       LEU  43   6.627  -2.067   2.167
  304    HA   LEU  43           HA       LEU  43   4.972  -1.286  -0.012
  305    HG   LEU  43           HG       LEU  43   4.515  -1.415   2.979
  306    HB2  LEU  43           HB2      LEU  43   6.103   0.414   2.212
  307    HB3  LEU  43           HB1      LEU  43   4.850   0.903   1.083
  308   HD11  LEU  43          HD11      LEU  43   4.903   0.686   4.219
  309   HD12  LEU  43          HD12      LEU  43   3.257   0.080   4.404
  310   HD13  LEU  43          HD13      LEU  43   3.581   1.434   3.319
  311   HD21  LEU  43          HD21      LEU  43   2.562   0.246   1.398
  312   HD22  LEU  43          HD22      LEU  43   2.153  -1.079   2.487
  313   HD23  LEU  43          HD23      LEU  43   3.066  -1.399   1.012
  314    H    THR  44           HN       THR  44   8.351  -1.068   0.507
  315    HA   THR  44           HA       THR  44   8.565   1.108  -1.439
  316    HB   THR  44           HB       THR  44  11.007   1.115  -0.882
  317    HG1  THR  44           HG1      THR  44  10.294  -1.132   0.458
  318   HG21  THR  44          HG21      THR  44  10.725   2.183   1.317
  319   HG22  THR  44          HG22      THR  44   9.105   1.495   1.436
  320   HG23  THR  44          HG23      THR  44   9.466   2.682   0.185
  321    H    ASP  45           HN       ASP  45   8.257  -2.125  -1.571
  322    HA   ASP  45           HA       ASP  45  10.108  -2.668  -3.700
  323    HB2  ASP  45           HB2      ASP  45   7.680  -4.088  -2.642
  324    HB3  ASP  45           HB1      ASP  45   8.399  -4.580  -4.169
  325    H    ALA  46           HN       ALA  46   9.834  -2.382  -5.862
  326    HA   ALA  46           HA       ALA  46   8.324  -0.251  -6.723
  327    HB1  ALA  46           HB1      ALA  46   9.283  -2.518  -8.456
  328    HB2  ALA  46           HB2      ALA  46  10.284  -1.173  -7.900
  329    HB3  ALA  46           HB3      ALA  46   8.917  -0.869  -8.973
  330    H    GLU  47           HN       GLU  47   7.623  -3.688  -7.411
  331    HA   GLU  47           HA       GLU  47   5.156  -3.070  -8.683
  332    HB2  GLU  47           HB2      GLU  47   4.736  -5.557  -8.502
  333    HB3  GLU  47           HB1      GLU  47   6.166  -5.072  -9.398
  334    HG2  GLU  47           HG2      GLU  47   6.376  -5.778  -6.505
  335    HG3  GLU  47           HG1      GLU  47   6.302  -7.044  -7.729
  336    H    THR  48           HN       THR  48   5.959  -4.345  -5.463
  337    HA   THR  48           HA       THR  48   3.407  -4.774  -4.517
  338    HB   THR  48           HB       THR  48   5.607  -3.570  -2.837
  339    HG1  THR  48           HG1      THR  48   6.485  -5.604  -2.690
  340   HG21  THR  48          HG21      THR  48   3.381  -5.516  -2.209
  341   HG22  THR  48          HG22      THR  48   3.429  -3.816  -1.745
  342   HG23  THR  48          HG23      THR  48   4.602  -4.947  -1.068
  343    H    SER  49           HN       SER  49   5.297  -1.757  -4.311
  344    HA   SER  49           HA       SER  49   3.281  -0.276  -3.002
  345    HG   SER  49           HG       SER  49   6.525  -0.051  -4.798
  346    HB2  SER  49           HB2      SER  49   4.633   1.696  -3.695
  347    HB3  SER  49           HB1      SER  49   5.590   0.433  -2.921
  348    H    LYS  50           HN       LYS  50   4.267  -0.430  -6.407
  349    HA   LYS  50           HA       LYS  50   2.464   1.434  -7.423
  350    HB2  LYS  50           HB2      LYS  50   4.343   0.521  -8.709
  351    HB3  LYS  50           HB1      LYS  50   3.565  -1.055  -8.748
  352    HG2  LYS  50           HG2      LYS  50   1.755  -0.147 -10.090
  353    HG3  LYS  50           HG1      LYS  50   2.470   1.455  -9.996
  354    HD2  LYS  50           HD2      LYS  50   3.891  -0.919 -11.168
  355    HD3  LYS  50           HD1      LYS  50   2.906   0.192 -12.125
  356    HE2  LYS  50           HE2      LYS  50   4.292   2.044 -11.296
  357    HE3  LYS  50           HE1      LYS  50   5.332   0.880 -10.481
  358    HZ1  LYS  50           HZ1      LYS  50   6.201   1.587 -12.654
  359    HZ2  LYS  50           HZ2      LYS  50   4.827   0.941 -13.409
  360    HZ3  LYS  50           HZ3      LYS  50   5.907  -0.084 -12.589
  361    H    LEU  51           HN       LEU  51   2.055  -1.977  -6.697
  362    HA   LEU  51           HA       LEU  51  -0.570  -1.999  -7.891
  363    HG   LEU  51           HG       LEU  51   1.366  -3.427  -9.063
  364    HB2  LEU  51           HB2      LEU  51   1.129  -4.087  -6.576
  365    HB3  LEU  51           HB1      LEU  51  -0.559  -4.391  -6.960
  366   HD11  LEU  51          HD11      LEU  51   2.264  -5.492  -8.062
  367   HD12  LEU  51          HD12      LEU  51   1.735  -5.711  -9.730
  368   HD13  LEU  51          HD13      LEU  51   0.731  -6.296  -8.402
  369   HD21  LEU  51          HD21      LEU  51  -1.241  -4.932  -9.142
  370   HD22  LEU  51          HD22      LEU  51  -0.266  -4.502 -10.548
  371   HD23  LEU  51          HD23      LEU  51  -0.998  -3.236  -9.562
  372    H    ILE  52           HN       ILE  52   0.721  -1.430  -4.692
  373    HA   ILE  52           HA       ILE  52  -1.865  -1.705  -3.473
  374    HB   ILE  52           HB       ILE  52   0.593  -0.204  -2.560
  375   HG12  ILE  52          HG12      ILE  52  -0.672  -2.747  -1.533
  376   HG13  ILE  52          HG11      ILE  52   0.693  -2.705  -2.645
  377   HG21  ILE  52          HG21      ILE  52  -2.007  -0.699  -1.107
  378   HG22  ILE  52          HG22      ILE  52  -1.385   0.863  -1.644
  379   HG23  ILE  52          HG23      ILE  52  -0.542  -0.034  -0.381
  380   HD11  ILE  52          HD11      ILE  52   1.270  -3.075  -0.252
  381   HD12  ILE  52          HD12      ILE  52   0.728  -1.428   0.070
  382   HD13  ILE  52          HD13      ILE  52   2.088  -1.715  -1.015
  383    H    TYR  53           HN       TYR  53  -0.033   0.932  -4.966
  384    HA   TYR  53           HA       TYR  53  -1.983   2.935  -4.530
  385    HD1  TYR  53           HD2      TYR  53  -1.358   5.290  -4.480
  386    HD2  TYR  53           HD1      TYR  53  -0.628   4.188  -8.523
  387    HE1  TYR  53           HE2      TYR  53  -2.153   7.498  -5.219
  388    HE2  TYR  53           HE1      TYR  53  -1.422   6.391  -9.274
  389    HH   TYR  53           HH       TYR  53  -2.011   8.974  -7.059
  390    HB2  TYR  53           HB2      TYR  53   0.357   3.377  -5.299
  391    HB3  TYR  53           HB1      TYR  53  -0.070   2.705  -6.869
  392    H    ASP  54           HN       ASP  54  -1.340   0.792  -7.270
  393    HA   ASP  54           HA       ASP  54  -3.564   1.217  -8.846
  394    HB2  ASP  54           HB2      ASP  54  -1.977  -0.260  -9.718
  395    HB3  ASP  54           HB1      ASP  54  -1.883  -1.192  -8.228
  396    H    PHE  55           HN       PHE  55  -3.253  -0.593  -5.888
  397    HA   PHE  55           HA       PHE  55  -5.765  -1.883  -5.897
  398    HD1  PHE  55           HD1      PHE  55  -6.343  -3.892  -4.122
  399    HD2  PHE  55           HD2      PHE  55  -4.890  -0.653  -1.768
  400    HE1  PHE  55           HE1      PHE  55  -7.899  -4.502  -2.320
  401    HE2  PHE  55           HE2      PHE  55  -6.448  -1.250   0.024
  402    HZ   PHE  55           HZ       PHE  55  -8.032  -3.184  -0.312
  403    HB2  PHE  55           HB2      PHE  55  -4.066  -2.759  -4.479
  404    HB3  PHE  55           HB1      PHE  55  -3.804  -1.197  -3.709
  405    H    ILE  56           HN       ILE  56  -4.613   0.925  -4.050
  406    HA   ILE  56           HA       ILE  56  -7.031   1.623  -2.865
  407    HB   ILE  56           HB       ILE  56  -4.722   3.395  -3.672
  408   HG12  ILE  56          HG12      ILE  56  -5.397   2.067  -1.040
  409   HG13  ILE  56          HG11      ILE  56  -4.185   1.489  -2.177
  410   HG21  ILE  56          HG21      ILE  56  -5.532   4.962  -1.992
  411   HG22  ILE  56          HG22      ILE  56  -6.926   3.925  -1.685
  412   HG23  ILE  56          HG23      ILE  56  -6.745   4.715  -3.253
  413   HD11  ILE  56          HD11      ILE  56  -4.126   4.104  -0.697
  414   HD12  ILE  56          HD12      ILE  56  -2.915   3.551  -1.854
  415   HD13  ILE  56          HD13      ILE  56  -3.160   2.672  -0.345
  416    H    GLU  57           HN       GLU  57  -5.625   2.614  -5.937
  417    HA   GLU  57           HA       GLU  57  -7.672   4.356  -6.754
  418    HB2  GLU  57           HB2      GLU  57  -5.630   2.713  -8.224
  419    HB3  GLU  57           HB1      GLU  57  -6.773   3.727  -9.076
  420    HG2  GLU  57           HG2      GLU  57  -5.889   5.583  -7.461
  421    HG3  GLU  57           HG1      GLU  57  -4.515   4.494  -7.292
  422    H    ASP  58           HN       ASP  58  -7.114   0.942  -7.501
  423    HA   ASP  58           HA       ASP  58  -9.364   0.383  -9.010
  424    HB2  ASP  58           HB2      ASP  58  -7.523  -1.200  -8.703
  425    HB3  ASP  58           HB1      ASP  58  -7.966  -1.411  -7.017
  426    H    GLN  59           HN       GLN  59  -9.073   0.634  -5.505
  427    HA   GLN  59           HA       GLN  59 -11.650  -0.441  -4.936
  428    HB2  GLN  59           HB2      GLN  59  -9.924   1.389  -3.259
  429    HB3  GLN  59           HB1      GLN  59 -11.349   0.539  -2.689
  430    HG2  GLN  59           HG2      GLN  59  -8.718  -0.632  -3.536
  431    HG3  GLN  59           HG1      GLN  59  -9.460  -0.666  -1.942
  432   HE21  GLN  59          HE21      GLN  59  -9.296  -2.130  -5.032
  433   HE22  GLN  59          HE22      GLN  59 -10.326  -3.470  -4.689
  434    H    GLY  60           HN       GLY  60 -10.674   2.482  -6.303
  435    HA2  GLY  60           HA2      GLY  60 -12.583   3.755  -7.238
  436    HA3  GLY  60           HA1      GLY  60 -13.293   3.679  -5.635
  437    H    GLY  61           HN       GLY  61 -10.097   4.112  -5.053
  438    HA2  GLY  61           HA2      GLY  61  -8.956   6.315  -5.693
  439    HA3  GLY  61           HA1      GLY  61 -10.414   7.042  -5.047
  440    H    LEU  62           HN       LEU  62  -8.474   8.061  -3.847
  441    HA   LEU  62           HA       LEU  62  -6.939   6.584  -2.045
  442    HG   LEU  62           HG       LEU  62  -6.571   9.020  -3.979
  443    HB2  LEU  62           HB2      LEU  62  -7.745   9.481  -1.875
  444    HB3  LEU  62           HB1      LEU  62  -6.436   8.737  -0.976
  445   HD11  LEU  62          HD11      LEU  62  -4.859  10.427  -1.939
  446   HD12  LEU  62          HD12      LEU  62  -6.186  11.142  -2.855
  447   HD13  LEU  62          HD13      LEU  62  -4.731  10.594  -3.689
  448   HD21  LEU  62          HD21      LEU  62  -4.271   8.203  -3.960
  449   HD22  LEU  62          HD22      LEU  62  -5.389   6.997  -3.322
  450   HD23  LEU  62          HD23      LEU  62  -4.376   7.933  -2.221
  451    H    GLU  63           HN       GLU  63  -9.986   8.314  -1.486
  452    HA   GLU  63           HA       GLU  63 -10.027   7.935   1.317
  453    HB2  GLU  63           HB2      GLU  63 -12.189   8.586  -0.671
  454    HB3  GLU  63           HB1      GLU  63 -12.510   8.432   1.048
  455    HG2  GLU  63           HG2      GLU  63 -10.922  10.235   1.488
  456    HG3  GLU  63           HG1      GLU  63 -10.660  10.404  -0.249
  457    H    ALA  64           HN       ALA  64 -10.824   5.823  -1.281
  458    HA   ALA  64           HA       ALA  64 -13.046   4.494  -0.257
  459    HB1  ALA  64           HB1      ALA  64 -10.921   3.371  -2.072
  460    HB2  ALA  64           HB2      ALA  64 -12.315   4.325  -2.579
  461    HB3  ALA  64           HB3      ALA  64 -12.553   2.735  -1.852
  462    H    VAL  65           HN       VAL  65  -9.655   3.320  -0.163
  463    HA   VAL  65           HA       VAL  65 -10.344   1.019   1.333
  464    HB   VAL  65           HB       VAL  65  -8.106   0.453   1.355
  465   HG11  VAL  65          HG11      VAL  65  -7.168   1.020  -0.787
  466   HG12  VAL  65          HG12      VAL  65  -8.219   2.431  -0.909
  467   HG13  VAL  65          HG13      VAL  65  -8.911   0.812  -0.940
  468   HG21  VAL  65          HG21      VAL  65  -7.172   2.169   2.672
  469   HG22  VAL  65          HG22      VAL  65  -7.472   3.389   1.432
  470   HG23  VAL  65          HG23      VAL  65  -6.253   2.142   1.166
  471    H    ARG  66           HN       ARG  66  -9.637   4.263   2.215
  472    HA   ARG  66           HA       ARG  66  -8.854   3.770   4.915
  473    HE   ARG  66           HE       ARG  66  -6.997   7.020   5.359
  474    HB2  ARG  66           HB2      ARG  66  -9.966   6.337   3.775
  475    HB3  ARG  66           HB1      ARG  66  -8.889   6.151   5.156
  476    HG2  ARG  66           HG2      ARG  66  -7.165   5.260   3.568
  477    HG3  ARG  66           HG1      ARG  66  -8.241   5.723   2.249
  478    HD2  ARG  66           HD2      ARG  66  -6.639   7.474   2.560
  479    HD3  ARG  66           HD1      ARG  66  -8.207   8.052   3.126
  480   HH11  ARG  66          HH11      ARG  66  -6.171   9.495   2.997
  481   HH12  ARG  66          HH12      ARG  66  -5.232  10.424   4.132
  482   HH21  ARG  66          HH21      ARG  66  -5.751   8.230   6.813
  483   HH22  ARG  66          HH22      ARG  66  -4.950   9.677   6.292
  484    H    GLN  67           HN       GLN  67 -11.826   4.150   3.206
  485    HA   GLN  67           HA       GLN  67 -13.383   4.515   5.637
  486    HB2  GLN  67           HB2      GLN  67 -14.117   4.460   2.718
  487    HB3  GLN  67           HB1      GLN  67 -15.311   4.539   4.009
  488    HG2  GLN  67           HG2      GLN  67 -14.380   6.635   4.784
  489    HG3  GLN  67           HG1      GLN  67 -13.115   6.546   3.559
  490   HE21  GLN  67          HE21      GLN  67 -15.225   8.542   4.063
  491   HE22  GLN  67          HE22      GLN  67 -16.083   8.691   2.571
  492    H    GLU  68           HN       GLU  68 -12.397   1.972   3.502
  493    HA   GLU  68           HA       GLU  68 -14.543   0.192   4.030
  494    HB2  GLU  68           HB2      GLU  68 -11.724  -0.510   3.221
  495    HB3  GLU  68           HB1      GLU  68 -13.134  -1.559   3.113
  496    HG2  GLU  68           HG2      GLU  68 -14.082   0.426   1.688
  497    HG3  GLU  68           HG1      GLU  68 -12.363   0.771   1.467
  498    H    MET  69           HN       MET  69 -11.870   1.187   5.888
  499    HA   MET  69           HA       MET  69 -11.619  -0.964   7.674
  500    HB2  MET  69           HB2      MET  69 -11.293   2.003   8.031
  501    HB3  MET  69           HB1      MET  69 -11.021   0.867   9.345
  502    HG2  MET  69           HG2      MET  69  -9.367  -0.292   7.898
  503    HG3  MET  69           HG1      MET  69  -9.559   1.015   6.731
  504    HE1  MET  69           HE1      MET  69  -6.875   1.131   6.950
  505    HE2  MET  69           HE2      MET  69  -6.929  -0.082   8.234
  506    HE3  MET  69           HE3      MET  69  -6.037   1.430   8.486
  507    H    ARG  70           HN       ARG  70 -14.110   1.344   7.144
  508    HA   ARG  70           HA       ARG  70 -15.582   0.409   9.517
  509    HE   ARG  70           HE       ARG  70 -15.828   4.169  11.692
  510    HB2  ARG  70           HB2      ARG  70 -15.730   3.192   8.340
  511    HB3  ARG  70           HB1      ARG  70 -16.451   2.627   9.839
  512    HG2  ARG  70           HG2      ARG  70 -14.326   2.460  10.895
  513    HG3  ARG  70           HG1      ARG  70 -13.484   2.725   9.367
  514    HD2  ARG  70           HD2      ARG  70 -13.419   4.754  10.641
  515    HD3  ARG  70           HD1      ARG  70 -14.494   4.988   9.263
  516   HH11  ARG  70          HH11      ARG  70 -14.675   6.891   9.791
  517   HH12  ARG  70          HH12      ARG  70 -15.764   8.021  10.540
  518   HH21  ARG  70          HH21      ARG  70 -17.245   5.682  12.676
  519   HH22  ARG  70          HH22      ARG  70 -17.211   7.343  12.158
  520    H    ARG  71           HN       ARG  71 -15.464  -0.227   6.531
  521    HA   ARG  71           HA       ARG  71 -18.160   0.576   5.684
  522    HE   ARG  71           HE       ARG  71 -18.910  -0.178   0.765
  523    HB2  ARG  71           HB2      ARG  71 -16.340   1.048   4.121
  524    HB3  ARG  71           HB1      ARG  71 -15.908  -0.657   4.104
  525    HG2  ARG  71           HG2      ARG  71 -18.108  -1.192   3.162
  526    HG3  ARG  71           HG1      ARG  71 -18.499   0.529   3.155
  527    HD2  ARG  71           HD2      ARG  71 -16.695   0.963   1.594
  528    HD3  ARG  71           HD1      ARG  71 -16.182  -0.723   1.675
  529   HH11  ARG  71          HH11      ARG  71 -15.614  -1.127  -0.059
  530   HH12  ARG  71          HH12      ARG  71 -16.059  -1.666  -1.650
  531   HH21  ARG  71          HH21      ARG  71 -19.458  -0.930  -1.330
  532   HH22  ARG  71          HH22      ARG  71 -18.210  -1.572  -2.361
  533    H    GLN  72           HN       GLN  72 -16.310  -2.283   4.819
  534    HA   GLN  72           HA       GLN  72 -18.450  -3.985   5.894
  535    HB2  GLN  72           HB2      GLN  72 -17.337  -3.981   3.103
  536    HB3  GLN  72           HB1      GLN  72 -18.024  -5.442   3.798
  537    HG2  GLN  72           HG2      GLN  72 -19.459  -2.820   3.439
  538    HG3  GLN  72           HG1      GLN  72 -19.635  -4.245   2.417
  539   HE21  GLN  72          HE21      GLN  72 -20.636  -6.106   3.290
  540   HE22  GLN  72          HE22      GLN  72 -21.704  -5.988   4.645
  541    H1   GLY  73           HT1      GLY  73 -16.135 -13.286  -1.293
  542    H2   GLY  73           HT2      GLY  73 -16.161 -12.752   0.317
  543    H3   GLY  73           HT3      GLY  73 -16.465 -14.382  -0.042
  544    HA2  GLY  73           HA1      GLY  73 -14.242 -14.119   0.830
  545    HA3  GLY  73           HA2      GLY  73 -14.207 -14.655  -0.843
  546    H    HIS  74           HN       HIS  74 -11.944 -13.636  -0.080
  547    HA   HIS  74           HA       HIS  74 -10.343 -12.106  -0.582
  548    HD1  HIS  74           HD1      HIS  74  -9.754 -12.550  -3.948
  549    HD2  HIS  74           HD2      HIS  74  -9.772  -8.795  -2.154
  550    HE1  HIS  74           HE1      HIS  74  -7.747 -11.351  -4.871
  551    HE2  HIS  74           HE2      HIS  74  -7.935  -9.006  -3.973
  552    HB2  HIS  74           HB2      HIS  74 -11.885 -12.081  -2.765
  553    HB3  HIS  74           HB1      HIS  74 -12.184 -10.434  -2.227
  554    H    MET  75           HN       MET  75 -12.211 -11.759   1.636
  555    HA   MET  75           HA       MET  75 -11.418  -9.281   2.644
  556    HB2  MET  75           HB2      MET  75 -13.543  -8.040   2.652
  557    HB3  MET  75           HB1      MET  75 -12.956  -8.294   1.016
  558    HG2  MET  75           HG2      MET  75 -14.534 -10.176   0.782
  559    HG3  MET  75           HG1      MET  75 -15.166  -9.807   2.388
  560    HE1  MET  75           HE1      MET  75 -13.949  -7.236  -0.333
  561    HE2  MET  75           HE2      MET  75 -15.450  -6.904  -1.196
  562    HE3  MET  75           HE3      MET  75 -14.707  -8.503  -1.298
  563    H    LEU  76           HN       LEU  76 -12.076  -9.025   4.827
  564    HA   LEU  76           HA       LEU  76 -13.791 -11.053   5.950
  565    HG   LEU  76           HG       LEU  76 -11.586 -11.086   8.574
  566    HB2  LEU  76           HB2      LEU  76 -11.927 -12.408   5.884
  567    HB3  LEU  76           HB1      LEU  76 -10.825 -11.097   6.254
  568   HD11  LEU  76          HD11      LEU  76 -13.086 -12.809   9.403
  569   HD12  LEU  76          HD12      LEU  76 -13.312 -13.414   7.761
  570   HD13  LEU  76          HD13      LEU  76 -13.876 -11.799   8.192
  571   HD21  LEU  76          HD21      LEU  76 -10.668 -13.268   9.233
  572   HD22  LEU  76          HD22      LEU  76  -9.699 -12.482   7.982
  573   HD23  LEU  76          HD23      LEU  76 -10.788 -13.806   7.557
  574    HA   PRO  77           HA       PRO  77 -13.206  -7.937   9.385
  575    HB2  PRO  77           HB2      PRO  77 -10.925  -6.694   9.967
  576    HB3  PRO  77           HB1      PRO  77 -11.173  -8.391  10.397
  577    HG2  PRO  77           HG2      PRO  77  -9.657  -7.223   8.097
  578    HG3  PRO  77           HG1      PRO  77  -9.223  -8.583   9.148
  579    HD2  PRO  77           HD2      PRO  77 -10.355  -8.856   6.645
  580    HD3  PRO  77           HD1      PRO  77 -10.446 -10.067   7.925
  581    H    ASP  78           HN       ASP  78 -11.249  -6.835   6.720
  582    HA   ASP  78           HA       ASP  78 -12.889  -4.585   6.160
  583    HB2  ASP  78           HB2      ASP  78 -11.315  -2.812   6.674
  584    HB3  ASP  78           HB1      ASP  78 -11.650  -3.730   8.138
  585    H    VAL  79           HN       VAL  79 -11.140  -3.002   4.809
  586    HA   VAL  79           HA       VAL  79 -10.809  -4.199   2.338
  587    HB   VAL  79           HB       VAL  79 -10.917  -1.834   2.448
  588   HG11  VAL  79          HG11      VAL  79  -9.361  -0.425   3.576
  589   HG12  VAL  79          HG12      VAL  79  -8.353  -1.809   4.008
  590   HG13  VAL  79          HG13      VAL  79  -9.959  -1.626   4.721
  591   HG21  VAL  79          HG21      VAL  79  -8.834  -1.066   1.317
  592   HG22  VAL  79          HG22      VAL  79  -9.559  -2.516   0.606
  593   HG23  VAL  79          HG23      VAL  79  -8.135  -2.657   1.641
  594    H    ALA  80           HN       ALA  80  -8.628  -4.253   5.073
  595    HA   ALA  80           HA       ALA  80  -6.164  -4.687   3.954
  596    HB1  ALA  80           HB1      ALA  80  -6.523  -4.541   6.329
  597    HB2  ALA  80           HB2      ALA  80  -5.607  -5.997   5.931
  598    HB3  ALA  80           HB3      ALA  80  -7.323  -6.113   6.329
  599    H    GLN  81           HN       GLN  81  -8.678  -7.181   4.427
  600    HA   GLN  81           HA       GLN  81  -7.088  -9.322   3.484
  601    HB2  GLN  81           HB2      GLN  81  -9.984  -8.915   3.977
  602    HB3  GLN  81           HB1      GLN  81  -9.532 -10.242   2.916
  603    HG2  GLN  81           HG2      GLN  81  -8.496  -9.836   5.706
  604    HG3  GLN  81           HG1      GLN  81  -9.809 -10.921   5.258
  605   HE21  GLN  81          HE21      GLN  81  -8.491 -11.667   2.734
  606   HE22  GLN  81          HE22      GLN  81  -7.206 -12.736   3.171
  607    H    ARG  82           HN       ARG  82  -9.198  -7.046   1.866
  608    HA   ARG  82           HA       ARG  82  -9.248  -8.262  -0.664
  609    HE   ARG  82           HE       ARG  82 -12.057  -4.599  -2.235
  610    HB2  ARG  82           HB2      ARG  82 -10.930  -6.702  -0.311
  611    HB3  ARG  82           HB1      ARG  82  -9.856  -5.575   0.507
  612    HG2  ARG  82           HG2      ARG  82 -10.118  -4.461  -1.417
  613    HG3  ARG  82           HG1      ARG  82  -8.761  -5.491  -1.867
  614    HD2  ARG  82           HD2      ARG  82 -10.062  -5.976  -3.654
  615    HD3  ARG  82           HD1      ARG  82 -10.839  -7.089  -2.524
  616   HH11  ARG  82          HH11      ARG  82 -11.804  -7.106  -4.689
  617   HH12  ARG  82          HH12      ARG  82 -13.308  -6.662  -5.444
  618   HH21  ARG  82          HH21      ARG  82 -13.999  -4.032  -3.232
  619   HH22  ARG  82          HH22      ARG  82 -14.544  -4.934  -4.622
  620    H    LEU  83           HN       LEU  83  -7.056  -6.186   1.022
  621    HA   LEU  83           HA       LEU  83  -5.460  -5.517  -1.273
  622    HG   LEU  83           HG       LEU  83  -2.857  -5.120   0.676
  623    HB2  LEU  83           HB2      LEU  83  -5.618  -3.913   0.495
  624    HB3  LEU  83           HB1      LEU  83  -5.096  -5.090   1.685
  625   HD11  LEU  83          HD11      LEU  83  -3.502  -4.581  -1.624
  626   HD12  LEU  83          HD12      LEU  83  -2.234  -3.512  -1.026
  627   HD13  LEU  83          HD13      LEU  83  -3.898  -2.937  -1.118
  628   HD21  LEU  83          HD21      LEU  83  -2.130  -3.169   1.656
  629   HD22  LEU  83          HD22      LEU  83  -3.705  -3.389   2.421
  630   HD23  LEU  83          HD23      LEU  83  -3.519  -2.242   1.092
  631    H    MET  84           HN       MET  84  -5.121  -7.699   1.524
  632    HA   MET  84           HA       MET  84  -2.508  -8.518   1.251
  633    HB2  MET  84           HB2      MET  84  -4.847 -10.323   1.897
  634    HB3  MET  84           HB1      MET  84  -3.163 -10.663   2.250
  635    HG2  MET  84           HG2      MET  84  -3.113  -8.745   3.776
  636    HG3  MET  84           HG1      MET  84  -4.819  -8.453   3.440
  637    HE1  MET  84           HE1      MET  84  -4.251  -8.674   6.431
  638    HE2  MET  84           HE2      MET  84  -5.439  -9.882   6.927
  639    HE3  MET  84           HE3      MET  84  -5.867  -8.667   5.722
  640    H    GLN  85           HN       GLN  85  -5.323 -10.042  -0.263
  641    HA   GLN  85           HA       GLN  85  -3.810 -11.886  -1.791
  642    HB2  GLN  85           HB2      GLN  85  -6.657 -10.929  -2.059
  643    HB3  GLN  85           HB1      GLN  85  -5.975 -12.269  -2.969
  644    HG2  GLN  85           HG2      GLN  85  -5.713 -13.589  -1.044
  645    HG3  GLN  85           HG1      GLN  85  -5.976 -12.213   0.027
  646   HE21  GLN  85          HE21      GLN  85  -7.493 -14.476  -2.160
  647   HE22  GLN  85          HE22      GLN  85  -9.110 -14.227  -1.593
  648    H    HIS  86           HN       HIS  86  -4.866  -8.619  -2.341
  649    HA   HIS  86           HA       HIS  86  -4.858  -8.551  -5.139
  650    HD1  HIS  86           HD1      HIS  86  -6.707  -6.235  -5.972
  651    HD2  HIS  86           HD2      HIS  86  -2.867  -4.773  -5.312
  652    HE1  HIS  86           HE1      HIS  86  -6.280  -4.590  -7.828
  653    HE2  HIS  86           HE2      HIS  86  -3.947  -3.721  -7.433
  654    HB2  HIS  86           HB2      HIS  86  -5.750  -6.764  -3.630
  655    HB3  HIS  86           HB1      HIS  86  -4.091  -6.280  -3.295
  656    H    LEU  87           HN       LEU  87  -2.203  -8.342  -2.841
  657    HA   LEU  87           HA       LEU  87  -0.307  -7.724  -4.939
  658    HG   LEU  87           HG       LEU  87   1.286  -6.111  -2.160
  659    HB2  LEU  87           HB2      LEU  87   0.074  -8.429  -2.036
  660    HB3  LEU  87           HB1      LEU  87   1.408  -8.164  -3.138
  661   HD11  LEU  87          HD11      LEU  87   0.944  -5.839  -4.594
  662   HD12  LEU  87          HD12      LEU  87   0.277  -4.515  -3.638
  663   HD13  LEU  87          HD13      LEU  87  -0.793  -5.747  -4.305
  664   HD21  LEU  87          HD21      LEU  87  -0.764  -5.023  -1.408
  665   HD22  LEU  87          HD22      LEU  87  -0.572  -6.626  -0.698
  666   HD23  LEU  87          HD23      LEU  87  -1.708  -6.379  -2.025
  667    H    ALA  88           HN       ALA  88  -1.409 -10.531  -3.171
  668    HA   ALA  88           HA       ALA  88   0.640 -12.312  -3.924
  669    HB1  ALA  88           HB1      ALA  88  -0.882 -14.075  -3.222
  670    HB2  ALA  88           HB2      ALA  88  -2.226 -12.934  -3.220
  671    HB3  ALA  88           HB3      ALA  88  -0.903 -12.740  -2.071
  672    H    GLU  89           HN       GLU  89  -2.293 -11.270  -5.502
  673    HA   GLU  89           HA       GLU  89  -2.451 -13.276  -7.477
  674    HB2  GLU  89           HB2      GLU  89  -3.401 -10.413  -7.572
  675    HB3  GLU  89           HB1      GLU  89  -3.877 -11.688  -8.683
  676    HG2  GLU  89           HG2      GLU  89  -4.965 -12.895  -6.928
  677    HG3  GLU  89           HG1      GLU  89  -4.375 -11.756  -5.721
  678    H    HIS  90           HN       HIS  90  -0.184 -10.726  -7.119
  679    HA   HIS  90           HA       HIS  90   0.411 -10.855 -10.002
  680    HD1  HIS  90           HD1      HIS  90  -0.737  -8.717 -11.672
  681    HD2  HIS  90           HD2      HIS  90  -1.949  -7.926  -7.770
  682    HE1  HIS  90           HE1      HIS  90  -3.139  -7.976 -11.837
  683    HE2  HIS  90           HE2      HIS  90  -3.897  -7.652  -9.454
  684    HB2  HIS  90           HB2      HIS  90   0.710  -8.459  -8.191
  685    HB3  HIS  90           HB1      HIS  90   1.210  -8.527  -9.878
  686    H    GLY  91           HN       GLY  91   1.596 -11.862  -7.144
  687    HA2  GLY  91           HA2      GLY  91   3.623 -12.925  -6.788
  688    HA3  GLY  91           HA1      GLY  91   4.184 -12.307  -8.331
  689    H    ILE  92           HN       ILE  92   2.929 -10.242  -5.817
  690    HA   ILE  92           HA       ILE  92   5.141  -8.551  -5.653
  691    HB   ILE  92           HB       ILE  92   2.655  -9.025  -4.123
  692   HG12  ILE  92          HG12      ILE  92   2.600  -6.490  -4.442
  693   HG13  ILE  92          HG11      ILE  92   4.045  -6.715  -5.418
  694   HG21  ILE  92          HG21      ILE  92   3.235  -7.429  -2.362
  695   HG22  ILE  92          HG22      ILE  92   4.904  -7.418  -2.934
  696   HG23  ILE  92          HG23      ILE  92   4.208  -8.898  -2.273
  697   HD11  ILE  92          HD11      ILE  92   1.375  -7.965  -5.941
  698   HD12  ILE  92          HD12      ILE  92   2.830  -8.177  -6.917
  699   HD13  ILE  92          HD13      ILE  92   2.070  -6.589  -6.797
  700    H    GLN  93           HN       GLN  93   6.828  -8.364  -4.202
  701    HA   GLN  93           HA       GLN  93   7.890 -10.724  -3.027
  702    HB2  GLN  93           HB2      GLN  93   8.615  -7.816  -2.627
  703    HB3  GLN  93           HB1      GLN  93   9.502  -9.144  -1.901
  704    HG2  GLN  93           HG2      GLN  93  10.747  -8.559  -3.767
  705    HG3  GLN  93           HG1      GLN  93   9.850  -9.990  -4.275
  706   HE21  GLN  93          HE21      GLN  93  10.092  -6.518  -4.515
  707   HE22  GLN  93          HE22      GLN  93   9.177  -6.359  -5.985
  708    HA   PRO  94           HA       PRO  94   5.474 -10.550   0.752
  709    HB2  PRO  94           HB2      PRO  94   6.789 -12.608   1.983
  710    HB3  PRO  94           HB1      PRO  94   5.478 -12.837   0.818
  711    HG2  PRO  94           HG2      PRO  94   8.432 -13.043   0.431
  712    HG3  PRO  94           HG1      PRO  94   7.137 -14.036  -0.261
  713    HD2  PRO  94           HD2      PRO  94   8.407 -12.081  -1.653
  714    HD3  PRO  94           HD1      PRO  94   6.716 -12.534  -1.947
  715    H    ALA  95           HN       ALA  95   5.934 -10.251   3.036
  716    HA   ALA  95           HA       ALA  95   8.031  -8.376   3.444
  717    HB1  ALA  95           HB1      ALA  95   7.161  -8.140   5.669
  718    HB2  ALA  95           HB2      ALA  95   6.244  -9.638   5.510
  719    HB3  ALA  95           HB3      ALA  95   5.815  -8.235   4.532
  720    H    ARG  96           HN       ARG  96   9.788  -9.812   2.873
  721    HA   ARG  96           HA       ARG  96  10.640 -11.598   5.038
  722    HE   ARG  96           HE       ARG  96  14.444 -14.086   4.788
  723    HB2  ARG  96           HB2      ARG  96  10.734 -12.521   2.766
  724    HB3  ARG  96           HB1      ARG  96  11.772 -11.196   2.260
  725    HG2  ARG  96           HG2      ARG  96  13.131 -13.116   2.612
  726    HG3  ARG  96           HG1      ARG  96  13.456 -11.969   3.911
  727    HD2  ARG  96           HD2      ARG  96  12.027 -13.230   5.413
  728    HD3  ARG  96           HD1      ARG  96  11.619 -14.349   4.112
  729   HH11  ARG  96          HH11      ARG  96  11.469 -15.892   5.197
  730   HH12  ARG  96          HH12      ARG  96  12.278 -17.384   5.576
  731   HH21  ARG  96          HH21      ARG  96  15.503 -16.036   5.313
  732   HH22  ARG  96          HH22      ARG  96  14.571 -17.453   5.682
  733    H    ASN  97           HN       ASN  97  12.056 -10.877   6.503
  734    HA   ASN  97           HA       ASN  97  13.242  -8.289   6.217
  735    HB2  ASN  97           HB2      ASN  97  14.233  -8.676   8.412
  736    HB3  ASN  97           HB1      ASN  97  12.537  -9.133   8.424
  737   HD21  ASN  97          HD21      ASN  97  15.782 -10.177   8.804
  738   HD22  ASN  97          HD22      ASN  97  15.429 -11.807   9.275
  739    H    MET  98           HN       MET  98  14.902  -7.907   4.962
  740    HA   MET  98           HA       MET  98  17.134  -9.825   4.923
  741    HB2  MET  98           HB2      MET  98  15.950  -8.296   2.601
  742    HB3  MET  98           HB1      MET  98  17.523  -9.079   2.536
  743    HG2  MET  98           HG2      MET  98  16.490 -11.236   2.935
  744    HG3  MET  98           HG1      MET  98  14.908 -10.470   3.069
  745    HE1  MET  98           HE1      MET  98  14.752 -12.437  -0.347
  746    HE2  MET  98           HE2      MET  98  14.071 -12.281   1.273
  747    HE3  MET  98           HE3      MET  98  15.698 -12.931   1.057
  748    H    ALA  99           HN       ALA  99  16.198  -6.935   5.948
  749    HA   ALA  99           HA       ALA  99  17.169  -5.001   6.592
  750    HB1  ALA  99           HB1      ALA  99  19.575  -4.903   6.909
  751    HB2  ALA  99           HB2      ALA  99  19.777  -6.370   5.952
  752    HB3  ALA  99           HB3      ALA  99  18.931  -6.435   7.498
  753    H    GLU 100           HN       GLU 100  19.444  -5.922   4.006
  754    HA   GLU 100           HA       GLU 100  19.196  -3.284   2.851
  755    HB2  GLU 100           HB2      GLU 100  21.390  -4.347   2.955
  756    HB3  GLU 100           HB1      GLU 100  20.805  -5.690   1.982
  757    HG2  GLU 100           HG2      GLU 100  20.602  -4.328   0.060
  758    HG3  GLU 100           HG1      GLU 100  20.822  -2.854   1.001
  759    H    HIS 101           HN       HIS 101  18.084  -2.734   1.060
  760    HA   HIS 101           HA       HIS 101  16.532  -4.875  -0.255
  761    HD1  HIS 101           HD1      HIS 101  12.739  -2.634   1.013
  762    HD2  HIS 101           HD2      HIS 101  14.630  -5.112  -1.744
  763    HE1  HIS 101           HE1      HIS 101  10.893  -3.786  -0.241
  764    HE2  HIS 101           HE2      HIS 101  12.043  -5.161  -2.004
  765    HB2  HIS 101           HB2      HIS 101  15.357  -3.369   1.507
  766    HB3  HIS 101           HB1      HIS 101  15.444  -2.120   0.274
  767    H    ILE 102           HN       ILE 102  18.995  -3.620  -1.129
  768    HA   ILE 102           HA       ILE 102  18.091  -1.895  -3.327
  769    HB   ILE 102           HB       ILE 102  20.870  -2.267  -2.197
  770   HG12  ILE 102          HG12      ILE 102  19.407  -1.017  -0.691
  771   HG13  ILE 102          HG11      ILE 102  20.605   0.056  -1.406
  772   HG21  ILE 102          HG21      ILE 102  20.988  -1.792  -4.564
  773   HG22  ILE 102          HG22      ILE 102  21.492  -0.372  -3.648
  774   HG23  ILE 102          HG23      ILE 102  19.886  -0.428  -4.376
  775   HD11  ILE 102          HD11      ILE 102  18.439   1.121  -1.322
  776   HD12  ILE 102          HD12      ILE 102  17.727  -0.205  -2.240
  777   HD13  ILE 102          HD13      ILE 102  18.922   0.850  -2.996
  778    HA   PRO 103           HA       PRO 103  18.937  -5.372  -6.030
  779    HB2  PRO 103           HB2      PRO 103  18.284  -4.110  -8.338
  780    HB3  PRO 103           HB1      PRO 103  17.068  -4.727  -7.213
  781    HG2  PRO 103           HG2      PRO 103  18.072  -1.938  -7.582
  782    HG3  PRO 103           HG1      PRO 103  16.417  -2.505  -7.297
  783    HD2  PRO 103           HD2      PRO 103  18.004  -1.448  -5.345
  784    HD3  PRO 103           HD1      PRO 103  16.722  -2.632  -5.027
  785    HA   PRO 104           HA       PRO 104  23.142  -4.473  -7.110
  786    HB2  PRO 104           HB2      PRO 104  22.819  -6.661  -9.074
  787    HB3  PRO 104           HB1      PRO 104  23.955  -6.513  -7.729
  788    HG2  PRO 104           HG2      PRO 104  21.893  -8.206  -7.605
  789    HG3  PRO 104           HG1      PRO 104  22.432  -7.299  -6.177
  790    HD2  PRO 104           HD2      PRO 104  20.093  -6.787  -7.977
  791    HD3  PRO 104           HD1      PRO 104  20.200  -6.668  -6.208
  792    H    ALA 105           HN       ALA 105  24.195  -3.280  -8.594
  793    HA   ALA 105           HA       ALA 105  22.691  -2.327 -10.886
  794    HB1  ALA 105           HB1      ALA 105  25.404  -1.488  -9.864
  795    HB2  ALA 105           HB2      ALA 105  23.870  -0.741  -9.418
  796    HB3  ALA 105           HB3      ALA 105  24.441  -0.654 -11.085
  797    HA   PRO 106           HA       PRO 106  24.701  -5.048 -13.763
  798    HB2  PRO 106           HB2      PRO 106  24.059  -3.089 -15.841
  799    HB3  PRO 106           HB1      PRO 106  23.436  -4.725 -15.620
  800    HG2  PRO 106           HG2      PRO 106  21.916  -2.533 -15.210
  801    HG3  PRO 106           HG1      PRO 106  21.702  -4.028 -14.282
  802    HD2  PRO 106           HD2      PRO 106  23.079  -1.488 -13.498
  803    HD3  PRO 106           HD1      PRO 106  22.022  -2.543 -12.535
  804    H    ASN 107           HN       ASN 107  25.507  -1.742 -13.330
  805    HA   ASN 107           HA       ASN 107  28.257  -2.307 -14.073
  806    HB2  ASN 107           HB2      ASN 107  27.373  -1.358 -16.134
  807    HB3  ASN 107           HB1      ASN 107  26.674  -0.008 -15.246
  808   HD21  ASN 107          HD21      ASN 107  27.971   1.656 -14.565
  809   HD22  ASN 107          HD22      ASN 107  29.598   1.859 -15.128
  810    H    TRP 108           HN       TRP 108  29.599  -1.459 -12.622
  811    HA   TRP 108           HA       TRP 108  28.564   0.655 -10.854
  812    HD1  TRP 108           HD1      TRP 108  31.428   0.853  -8.633
  813    HE1  TRP 108           HE1      TRP 108  30.759   1.603  -6.264
  814    HE3  TRP 108           HE3      TRP 108  27.042  -1.743  -8.176
  815    HZ2  TRP 108           HZ2      TRP 108  28.649   1.146  -4.444
  816    HZ3  TRP 108           HZ3      TRP 108  25.761  -1.532  -6.086
  817    HH2  TRP 108           HH2      TRP 108  26.548  -0.117  -4.258
  818    HB2  TRP 108           HB2      TRP 108  28.765  -1.704  -9.858
  819    HB3  TRP 108           HB1      TRP 108  30.506  -1.496 -10.002
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1 -23.495   4.666 -11.217
    2    H2   GLY   1           HT2      GLY   1 -24.806   5.625 -11.710
    3    H3   GLY   1           HT3      GLY   1 -24.012   5.961 -10.249
    4    HA2  GLY   1           HA1      GLY   1 -22.827   6.185 -12.959
    5    HA3  GLY   1           HA2      GLY   1 -23.383   7.532 -11.979
    6    H    HIS   2           HN       HIS   2 -22.147   5.368  -9.827
    7    HA   HIS   2           HA       HIS   2 -19.695   6.942  -9.657
    8    HD1  HIS   2           HD1      HIS   2 -18.298   6.215  -6.091
    9    HD2  HIS   2           HD2      HIS   2 -21.111   8.811  -7.726
   10    HE1  HIS   2           HE1      HIS   2 -17.821   8.466  -5.077
   11    HE2  HIS   2           HE2      HIS   2 -19.697   9.948  -5.890
   12    HB2  HIS   2           HB2      HIS   2 -21.482   5.874  -7.742
   13    HB3  HIS   2           HB1      HIS   2 -19.948   5.037  -7.525
   14    H    MET   3           HN       MET   3 -19.011   5.715 -11.650
   15    HA   MET   3           HA       MET   3 -17.825   3.124 -10.952
   16    HB2  MET   3           HB2      MET   3 -18.039   4.508 -13.639
   17    HB3  MET   3           HB1      MET   3 -17.318   2.928 -13.369
   18    HG2  MET   3           HG2      MET   3 -19.484   2.092 -12.573
   19    HG3  MET   3           HG1      MET   3 -20.198   3.669 -12.906
   20    HE1  MET   3           HE1      MET   3 -22.076   2.607 -14.420
   21    HE2  MET   3           HE2      MET   3 -21.427   1.011 -14.043
   22    HE3  MET   3           HE3      MET   3 -21.750   1.458 -15.718
   23    H    SER   4           HN       SER   4 -16.075   3.554  -9.772
   24    HA   SER   4           HA       SER   4 -13.925   4.066  -9.293
   25    HG   SER   4           HG       SER   4 -11.885   5.887 -11.390
   26    HB2  SER   4           HB2      SER   4 -13.367   3.614 -11.655
   27    HB3  SER   4           HB1      SER   4 -13.777   5.276 -12.070
   28    H    GLY   5           HN       GLY   5 -12.559   5.972  -8.784
   29    HA2  GLY   5           HA2      GLY   5 -13.941   8.534  -8.871
   30    HA3  GLY   5           HA1      GLY   5 -13.691   7.832  -7.279
   31    H    PHE   6           HN       PHE   6 -12.405   9.814  -9.626
   32    HA   PHE   6           HA       PHE   6  -9.629   9.416  -9.154
   33    HD1  PHE   6           HD1      PHE   6  -7.933  10.192 -11.141
   34    HD2  PHE   6           HD2      PHE   6  -9.778  13.692  -9.571
   35    HE1  PHE   6           HE1      PHE   6  -5.788  11.385 -11.289
   36    HE2  PHE   6           HE2      PHE   6  -7.635  14.890  -9.712
   37    HZ   PHE   6           HZ       PHE   6  -5.635  13.736 -10.572
   38    HB2  PHE   6           HB2      PHE   6 -10.437  10.560 -11.166
   39    HB3  PHE   6           HB1      PHE   6 -11.100  11.858 -10.179
   40    H    LYS   7           HN       LYS   7  -8.949   9.501  -7.099
   41    HA   LYS   7           HA       LYS   7  -9.427  12.017  -5.637
   42    HB2  LYS   7           HB2      LYS   7  -9.270   9.227  -4.482
   43    HB3  LYS   7           HB1      LYS   7  -9.305  10.702  -3.527
   44    HG2  LYS   7           HG2      LYS   7 -11.479   9.761  -5.386
   45    HG3  LYS   7           HG1      LYS   7 -11.497   9.644  -3.625
   46    HD2  LYS   7           HD2      LYS   7 -11.426  12.073  -3.446
   47    HD3  LYS   7           HD1      LYS   7 -11.344  12.216  -5.202
   48    HE2  LYS   7           HE2      LYS   7 -13.602  12.637  -4.406
   49    HE3  LYS   7           HE1      LYS   7 -13.552  11.174  -5.387
   50    HZ1  LYS   7           HZ1      LYS   7 -14.891  10.963  -3.338
   51    HZ2  LYS   7           HZ2      LYS   7 -13.480  11.197  -2.418
   52    HZ3  LYS   7           HZ3      LYS   7 -13.623   9.839  -3.429
   53    H    HIS   8           HN       HIS   8  -7.322  11.262  -7.446
   54    HA   HIS   8           HA       HIS   8  -4.973  10.679  -5.908
   55    HD1  HIS   8           HD1      HIS   8  -2.859   9.040  -8.008
   56    HD2  HIS   8           HD2      HIS   8  -2.803  13.182  -8.369
   57    HE1  HIS   8           HE1      HIS   8  -0.448   9.660  -8.350
   58    HE2  HIS   8           HE2      HIS   8  -0.493  12.121  -8.872
   59    HB2  HIS   8           HB2      HIS   8  -5.155  10.018  -8.269
   60    HB3  HIS   8           HB1      HIS   8  -5.276  11.707  -8.741
   61    H    VAL   9           HN       VAL   9  -4.667  12.200  -4.355
   62    HA   VAL   9           HA       VAL   9  -3.819  14.826  -5.346
   63    HB   VAL   9           HB       VAL   9  -6.062  15.073  -4.312
   64   HG11  VAL   9          HG11      VAL   9  -4.696  14.111  -1.804
   65   HG12  VAL   9          HG12      VAL   9  -5.969  13.274  -2.693
   66   HG13  VAL   9          HG13      VAL   9  -6.317  14.802  -1.886
   67   HG21  VAL   9          HG21      VAL   9  -4.468  16.927  -4.276
   68   HG22  VAL   9          HG22      VAL   9  -3.834  16.356  -2.733
   69   HG23  VAL   9          HG23      VAL   9  -5.496  16.937  -2.842
   70    H    SER  10           HN       SER  10  -2.120  15.775  -4.155
   71    HA   SER  10           HA       SER  10  -0.301  15.901  -2.796
   72    HG   SER  10           HG       SER  10  -1.531  16.046  -0.023
   73    HB2  SER  10           HB2      SER  10  -1.667  13.671  -1.277
   74    HB3  SER  10           HB1      SER  10  -0.246  14.552  -0.713
   75    H    HIS  11           HN       HIS  11  -0.943  13.512  -4.852
   76    HA   HIS  11           HA       HIS  11   0.175  11.814  -5.847
   77    HD1  HIS  11           HD1      HIS  11   1.706  15.415  -5.215
   78    HD2  HIS  11           HD2      HIS  11   2.410  12.728  -8.307
   79    HE1  HIS  11           HE1      HIS  11   1.624  16.778  -7.318
   80    HE2  HIS  11           HE2      HIS  11   2.026  15.129  -9.195
   81    HB2  HIS  11           HB2      HIS  11   2.569  13.042  -4.466
   82    HB3  HIS  11           HB1      HIS  11   2.657  11.805  -5.716
   83    H    VAL  12           HN       VAL  12  -0.503  11.882  -2.744
   84    HA   VAL  12           HA       VAL  12  -0.689  10.387  -1.062
   85    HB   VAL  12           HB       VAL  12   0.101   8.282  -3.062
   86   HG11  VAL  12          HG11      VAL  12  -1.641   8.141  -0.606
   87   HG12  VAL  12          HG12      VAL  12  -0.019   7.472  -0.772
   88   HG13  VAL  12          HG13      VAL  12  -1.344   6.816  -1.733
   89   HG21  VAL  12          HG21      VAL  12  -2.305   8.084  -3.568
   90   HG22  VAL  12          HG22      VAL  12  -1.633   9.643  -4.046
   91   HG23  VAL  12          HG23      VAL  12  -2.605   9.516  -2.580
   92    H    GLY  13           HN       GLY  13   2.134  11.342  -2.164
   93    HA2  GLY  13           HA2      GLY  13   4.322  11.164  -1.476
   94    HA3  GLY  13           HA1      GLY  13   3.715  10.314  -0.060
   95    H    TRP  14           HN       TRP  14   3.174   9.291  -3.354
   96    HA   TRP  14           HA       TRP  14   4.718   6.856  -2.782
   97    HD1  TRP  14           HD1      TRP  14   3.997   4.029  -3.376
   98    HE1  TRP  14           HE1      TRP  14   4.122   2.503  -5.445
   99    HE3  TRP  14           HE3      TRP  14   2.051   7.222  -6.851
  100    HZ2  TRP  14           HZ2      TRP  14   3.462   2.633  -8.191
  101    HZ3  TRP  14           HZ3      TRP  14   1.825   6.447  -9.176
  102    HH2  TRP  14           HH2      TRP  14   2.519   4.198  -9.830
  103    HB2  TRP  14           HB2      TRP  14   2.409   6.307  -2.998
  104    HB3  TRP  14           HB1      TRP  14   2.231   7.315  -4.429
  105    H    ASP  15           HN       ASP  15   6.261   6.201  -4.128
  106    HA   ASP  15           HA       ASP  15   6.524   7.526  -6.752
  107    HB2  ASP  15           HB2      ASP  15   8.379   8.161  -5.282
  108    HB3  ASP  15           HB1      ASP  15   8.708   6.467  -4.932
  109    HA   PRO  16           HA       PRO  16   5.481   3.658  -8.500
  110    HB2  PRO  16           HB2      PRO  16   7.108   3.883 -10.766
  111    HB3  PRO  16           HB1      PRO  16   5.452   4.473 -10.606
  112    HG2  PRO  16           HG2      PRO  16   8.029   5.944 -10.299
  113    HG3  PRO  16           HG1      PRO  16   6.500   6.490 -11.011
  114    HD2  PRO  16           HD2      PRO  16   7.234   7.292  -8.579
  115    HD3  PRO  16           HD1      PRO  16   5.535   6.891  -8.929
  116    H    GLN  17           HN       GLN  17   8.895   4.472  -8.131
  117    HA   GLN  17           HA       GLN  17   9.547   1.610  -8.293
  118    HB2  GLN  17           HB2      GLN  17  11.418   3.970  -8.397
  119    HB3  GLN  17           HB1      GLN  17  11.858   2.282  -8.601
  120    HG2  GLN  17           HG2      GLN  17  10.393   2.204 -10.606
  121    HG3  GLN  17           HG1      GLN  17  10.141   3.939 -10.428
  122   HE21  GLN  17          HE21      GLN  17  11.864   5.351 -10.802
  123   HE22  GLN  17          HE22      GLN  17  13.268   4.859 -11.690
  124    H    ASN  18           HN       ASN  18   9.923   4.479  -6.275
  125    HA   ASN  18           HA       ASN  18  11.476   3.041  -4.302
  126    HB2  ASN  18           HB2      ASN  18  10.456   5.872  -4.419
  127    HB3  ASN  18           HB1      ASN  18  11.380   5.224  -3.066
  128   HD21  ASN  18          HD21      ASN  18  11.476   6.087  -6.449
  129   HD22  ASN  18          HD22      ASN  18  13.209   6.154  -6.567
  130    H    GLY  19           HN       GLY  19   8.175   3.555  -4.852
  131    HA2  GLY  19           HA2      GLY  19   6.468   2.510  -3.672
  132    HA3  GLY  19           HA1      GLY  19   7.582   2.231  -2.344
  133    H    PHE  20           HN       PHE  20   5.771   2.891  -1.041
  134    HA   PHE  20           HA       PHE  20   4.964   5.669  -1.073
  135    HD1  PHE  20           HD1      PHE  20   3.838   2.061  -1.137
  136    HD2  PHE  20           HD2      PHE  20   1.779   5.628  -0.062
  137    HE1  PHE  20           HE1      PHE  20   1.949   1.382  -2.556
  138    HE2  PHE  20           HE2      PHE  20  -0.126   4.948  -1.476
  139    HZ   PHE  20           HZ       PHE  20  -0.101   2.804  -2.630
  140    HB2  PHE  20           HB2      PHE  20   4.422   3.435   0.900
  141    HB3  PHE  20           HB1      PHE  20   3.752   5.053   1.036
  142    H    ASP  21           HN       ASP  21   5.611   7.247   0.366
  143    HA   ASP  21           HA       ASP  21   8.145   6.927   1.627
  144    HB2  ASP  21           HB2      ASP  21   7.186   9.114   0.757
  145    HB3  ASP  21           HB1      ASP  21   6.147   9.126   2.179
  146    H    VAL  22           HN       VAL  22   8.271   5.514   3.243
  147    HA   VAL  22           HA       VAL  22   6.096   4.840   4.921
  148    HB   VAL  22           HB       VAL  22   7.781   3.520   6.205
  149   HG11  VAL  22          HG11      VAL  22   8.200   1.931   4.363
  150   HG12  VAL  22          HG12      VAL  22   7.711   3.173   3.209
  151   HG13  VAL  22          HG13      VAL  22   6.544   2.538   4.368
  152   HG21  VAL  22          HG21      VAL  22   9.692   4.510   4.085
  153   HG22  VAL  22          HG22      VAL  22  10.040   3.311   5.329
  154   HG23  VAL  22          HG23      VAL  22   9.726   4.986   5.785
  155    H    ASN  23           HN       ASN  23   8.324   7.408   5.138
  156    HA   ASN  23           HA       ASN  23   8.030   7.654   8.026
  157    HB2  ASN  23           HB2      ASN  23  10.183   8.277   7.034
  158    HB3  ASN  23           HB1      ASN  23   9.385   9.473   6.017
  159   HD21  ASN  23          HD21      ASN  23   8.790  11.426   6.879
  160   HD22  ASN  23          HD22      ASN  23   9.233  11.933   8.474
  161    H    ASN  24           HN       ASN  24   6.955   9.178   5.061
  162    HA   ASN  24           HA       ASN  24   5.173  10.983   6.537
  163    HB2  ASN  24           HB2      ASN  24   5.931  10.821   3.610
  164    HB3  ASN  24           HB1      ASN  24   4.760  11.963   4.258
  165   HD21  ASN  24          HD21      ASN  24   8.128  10.989   4.291
  166   HD22  ASN  24          HD22      ASN  24   8.752  12.517   4.832
  167    H    LEU  25           HN       LEU  25   4.729   8.108   6.420
  168    HA   LEU  25           HA       LEU  25   2.737   7.461   4.526
  169    HG   LEU  25           HG       LEU  25   4.556   5.442   4.710
  170    HB2  LEU  25           HB2      LEU  25   3.888   6.216   6.925
  171    HB3  LEU  25           HB1      LEU  25   2.228   5.764   6.597
  172   HD11  LEU  25          HD11      LEU  25   2.953   3.413   6.260
  173   HD12  LEU  25          HD12      LEU  25   4.620   3.890   6.591
  174   HD13  LEU  25          HD13      LEU  25   4.222   3.054   5.090
  175   HD21  LEU  25          HD21      LEU  25   2.449   5.897   3.550
  176   HD22  LEU  25          HD22      LEU  25   1.692   4.563   4.422
  177   HD23  LEU  25          HD23      LEU  25   3.007   4.246   3.290
  178    H    ASP  26           HN       ASP  26   0.645   7.789   4.484
  179    HA   ASP  26           HA       ASP  26  -0.778   9.422   6.257
  180    HB2  ASP  26           HB2      ASP  26  -1.577   9.068   4.003
  181    HB3  ASP  26           HB1      ASP  26  -1.724   7.335   4.274
  182    HA   PRO  27           HA       PRO  27  -1.230   6.975   9.868
  183    HB2  PRO  27           HB2      PRO  27  -3.899   8.296   9.981
  184    HB3  PRO  27           HB1      PRO  27  -2.640   8.192  11.216
  185    HG2  PRO  27           HG2      PRO  27  -3.026  10.443   9.852
  186    HG3  PRO  27           HG1      PRO  27  -1.392   9.901  10.276
  187    HD2  PRO  27           HD2      PRO  27  -2.796   9.816   7.650
  188    HD3  PRO  27           HD1      PRO  27  -1.077  10.062   8.005
  189    H    ASP  28           HN       ASP  28  -3.857   7.038   7.492
  190    HA   ASP  28           HA       ASP  28  -5.048   4.659   8.652
  191    HB2  ASP  28           HB2      ASP  28  -5.752   6.298   6.211
  192    HB3  ASP  28           HB1      ASP  28  -6.589   4.811   6.642
  193    H    LEU  29           HN       LEU  29  -3.403   5.549   5.595
  194    HA   LEU  29           HA       LEU  29  -3.083   3.094   4.447
  195    HG   LEU  29           HG       LEU  29  -2.146   3.928   2.207
  196    HB2  LEU  29           HB2      LEU  29  -1.486   5.577   4.619
  197    HB3  LEU  29           HB1      LEU  29  -0.644   4.154   4.042
  198   HD11  LEU  29          HD11      LEU  29  -4.224   4.551   3.229
  199   HD12  LEU  29          HD12      LEU  29  -3.951   5.506   1.772
  200   HD13  LEU  29          HD13      LEU  29  -3.684   6.225   3.361
  201   HD21  LEU  29          HD21      LEU  29  -1.329   6.796   2.539
  202   HD22  LEU  29          HD22      LEU  29  -1.694   5.999   1.007
  203   HD23  LEU  29          HD23      LEU  29  -0.295   5.492   1.953
  204    H    ARG  30           HN       ARG  30  -0.980   4.542   6.918
  205    HA   ARG  30           HA       ARG  30   0.847   2.461   7.151
  206    HE   ARG  30           HE       ARG  30   0.430   3.854  11.359
  207    HB2  ARG  30           HB2      ARG  30   0.901   4.823   8.122
  208    HB3  ARG  30           HB1      ARG  30  -0.038   4.184   9.460
  209    HG2  ARG  30           HG2      ARG  30   2.634   3.068   8.636
  210    HG3  ARG  30           HG1      ARG  30   2.450   4.365   9.815
  211    HD2  ARG  30           HD2      ARG  30   1.340   1.568  10.016
  212    HD3  ARG  30           HD1      ARG  30   2.683   2.237  10.944
  213   HH11  ARG  30          HH11      ARG  30   1.581   0.620  12.099
  214   HH12  ARG  30          HH12      ARG  30   0.617   0.487  13.541
  215   HH21  ARG  30          HH21      ARG  30  -0.866   3.641  13.237
  216   HH22  ARG  30          HH22      ARG  30  -0.768   2.180  14.183
  217    H    SER  31           HN       SER  31  -2.218   2.996   8.844
  218    HA   SER  31           HA       SER  31  -2.046   0.751  10.563
  219    HG   SER  31           HG       SER  31  -4.087   1.536  12.275
  220    HB2  SER  31           HB2      SER  31  -3.633   2.832  10.653
  221    HB3  SER  31           HB1      SER  31  -4.657   1.879   9.585
  222    H    LEU  32           HN       LEU  32  -3.591   1.308   7.443
  223    HA   LEU  32           HA       LEU  32  -4.942  -1.131   7.202
  224    HG   LEU  32           HG       LEU  32  -6.221   0.114   4.064
  225    HB2  LEU  32           HB2      LEU  32  -5.261   1.023   5.918
  226    HB3  LEU  32           HB1      LEU  32  -3.866   0.570   4.965
  227   HD11  LEU  32          HD11      LEU  32  -5.474  -1.908   2.902
  228   HD12  LEU  32          HD12      LEU  32  -4.134  -2.045   4.042
  229   HD13  LEU  32          HD13      LEU  32  -4.226  -0.663   2.949
  230   HD21  LEU  32          HD21      LEU  32  -7.140  -2.074   4.678
  231   HD22  LEU  32          HD22      LEU  32  -7.130  -0.950   6.037
  232   HD23  LEU  32          HD23      LEU  32  -5.910  -2.220   5.933
  233    H    PHE  33           HN       PHE  33  -1.934  -0.060   5.707
  234    HA   PHE  33           HA       PHE  33  -1.324  -2.464   4.414
  235    HD1  PHE  33           HD2      PHE  33  -1.858  -1.340   2.881
  236    HD2  PHE  33           HD1      PHE  33   1.137   1.499   3.979
  237    HE1  PHE  33           HE2      PHE  33  -2.648   0.187   1.120
  238    HE2  PHE  33           HE1      PHE  33   0.337   3.015   2.229
  239    HZ   PHE  33           HZ       PHE  33  -1.574   2.366   0.807
  240    HB2  PHE  33           HB2      PHE  33   0.605  -0.358   5.421
  241    HB3  PHE  33           HB1      PHE  33   0.954  -1.579   4.202
  242    H    SER  34           HN       SER  34  -0.690  -1.365   7.670
  243    HA   SER  34           HA       SER  34   1.092  -3.414   8.414
  244    HG   SER  34           HG       SER  34   0.651  -3.816  10.845
  245    HB2  SER  34           HB2      SER  34   0.865  -1.347   9.672
  246    HB3  SER  34           HB1      SER  34  -0.787  -1.769  10.112
  247    H    ARG  35           HN       ARG  35  -2.422  -3.249   8.301
  248    HA   ARG  35           HA       ARG  35  -2.797  -5.781   9.614
  249    HE   ARG  35           HE       ARG  35  -5.880  -2.515  11.821
  250    HB2  ARG  35           HB2      ARG  35  -4.658  -4.117   7.929
  251    HB3  ARG  35           HB1      ARG  35  -5.123  -5.608   8.735
  252    HG2  ARG  35           HG2      ARG  35  -4.677  -4.623  10.885
  253    HG3  ARG  35           HG1      ARG  35  -4.116  -3.148  10.102
  254    HD2  ARG  35           HD2      ARG  35  -6.373  -2.931   9.053
  255    HD3  ARG  35           HD1      ARG  35  -6.894  -4.312  10.015
  256   HH11  ARG  35          HH11      ARG  35  -8.453  -2.574   9.453
  257   HH12  ARG  35          HH12      ARG  35  -9.406  -1.379  10.281
  258   HH21  ARG  35          HH21      ARG  35  -7.134  -0.940  12.914
  259   HH22  ARG  35          HH22      ARG  35  -8.657  -0.440  12.227
  260    H    ALA  36           HN       ALA  36  -2.666  -4.546   6.348
  261    HA   ALA  36           HA       ALA  36  -3.549  -6.912   5.056
  262    HB1  ALA  36           HB1      ALA  36  -3.016  -5.787   3.002
  263    HB2  ALA  36           HB2      ALA  36  -1.972  -4.643   3.847
  264    HB3  ALA  36           HB3      ALA  36  -3.717  -4.613   4.115
  265    H    GLY  37           HN       GLY  37  -0.509  -5.967   6.341
  266    HA2  GLY  37           HA2      GLY  37   1.060  -7.752   6.767
  267    HA3  GLY  37           HA1      GLY  37   0.621  -8.445   5.213
  268    H    ILE  38           HN       ILE  38   0.794  -5.250   4.617
  269    HA   ILE  38           HA       ILE  38   3.327  -5.516   3.302
  270    HB   ILE  38           HB       ILE  38   1.654  -3.023   3.638
  271   HG12  ILE  38          HG12      ILE  38   1.254  -3.549   1.106
  272   HG13  ILE  38          HG11      ILE  38   1.616  -5.198   1.572
  273   HG21  ILE  38          HG21      ILE  38   3.970  -3.657   1.828
  274   HG22  ILE  38          HG22      ILE  38   3.933  -2.479   3.142
  275   HG23  ILE  38          HG23      ILE  38   2.956  -2.220   1.696
  276   HD11  ILE  38          HD11      ILE  38  -0.793  -4.662   1.512
  277   HD12  ILE  38          HD12      ILE  38  -0.523  -3.497   2.814
  278   HD13  ILE  38          HD13      ILE  38  -0.229  -5.215   3.093
  279    H    SER  39           HN       SER  39   5.188  -5.341   4.370
  280    HA   SER  39           HA       SER  39   5.395  -3.576   6.670
  281    HG   SER  39           HG       SER  39   7.398  -3.732   7.723
  282    HB2  SER  39           HB2      SER  39   6.411  -5.839   6.771
  283    HB3  SER  39           HB1      SER  39   7.483  -5.377   5.456
  284    H    GLU  40           HN       GLU  40   7.385  -2.134   6.749
  285    HA   GLU  40           HA       GLU  40   7.125  -0.105   4.934
  286    HB2  GLU  40           HB2      GLU  40   9.696  -0.760   6.379
  287    HB3  GLU  40           HB1      GLU  40   9.177   0.818   5.803
  288    HG2  GLU  40           HG2      GLU  40   8.671   1.000   8.016
  289    HG3  GLU  40           HG1      GLU  40   7.141   0.385   7.397
  290    H    ALA  41           HN       ALA  41   9.610  -2.660   4.848
  291    HA   ALA  41           HA       ALA  41  10.928  -1.799   2.534
  292    HB1  ALA  41           HB1      ALA  41  10.577  -4.622   3.537
  293    HB2  ALA  41           HB2      ALA  41  11.862  -3.505   4.001
  294    HB3  ALA  41           HB3      ALA  41  11.759  -4.097   2.342
  295    H    GLN  42           HN       GLN  42   8.347  -4.211   2.862
  296    HA   GLN  42           HA       GLN  42   8.004  -4.860   0.181
  297    HB2  GLN  42           HB2      GLN  42   6.910  -5.885   2.298
  298    HB3  GLN  42           HB1      GLN  42   5.684  -4.647   2.090
  299    HG2  GLN  42           HG2      GLN  42   5.350  -5.526  -0.242
  300    HG3  GLN  42           HG1      GLN  42   6.382  -6.880   0.212
  301   HE21  GLN  42          HE21      GLN  42   5.614  -8.385   1.732
  302   HE22  GLN  42          HE22      GLN  42   3.938  -8.505   2.129
  303    H    LEU  43           HN       LEU  43   6.708  -2.226   2.088
  304    HA   LEU  43           HA       LEU  43   4.860  -1.248   0.158
  305    HG   LEU  43           HG       LEU  43   4.757   1.646   1.003
  306    HB2  LEU  43           HB2      LEU  43   4.758  -0.891   2.615
  307    HB3  LEU  43           HB1      LEU  43   6.141   0.175   2.491
  308   HD11  LEU  43          HD11      LEU  43   2.540  -0.165   1.953
  309   HD12  LEU  43          HD12      LEU  43   3.134  -0.044   0.297
  310   HD13  LEU  43          HD13      LEU  43   2.337   1.337   1.050
  311   HD21  LEU  43          HD21      LEU  43   5.111   2.065   3.405
  312   HD22  LEU  43          HD22      LEU  43   3.657   1.131   3.759
  313   HD23  LEU  43          HD23      LEU  43   3.539   2.632   2.840
  314    H    THR  44           HN       THR  44   8.224  -1.095   0.382
  315    HA   THR  44           HA       THR  44   8.283   1.233  -1.406
  316    HB   THR  44           HB       THR  44  10.671   1.534  -0.597
  317    HG1  THR  44           HG1      THR  44   9.806  -0.018   1.625
  318   HG21  THR  44          HG21      THR  44   9.973   2.693   1.467
  319   HG22  THR  44          HG22      THR  44   8.423   1.854   1.397
  320   HG23  THR  44          HG23      THR  44   8.861   2.999   0.130
  321    H    ASP  45           HN       ASP  45   8.107  -1.805  -1.779
  322    HA   ASP  45           HA       ASP  45  10.413  -2.228  -3.499
  323    HB2  ASP  45           HB2      ASP  45   8.175  -3.947  -2.527
  324    HB3  ASP  45           HB1      ASP  45   8.951  -4.383  -4.045
  325    H    ALA  46           HN       ALA  46  10.194  -2.683  -5.753
  326    HA   ALA  46           HA       ALA  46   8.989  -0.578  -7.080
  327    HB1  ALA  46           HB1      ALA  46   9.652  -1.655  -9.127
  328    HB2  ALA  46           HB2      ALA  46   9.804  -3.206  -8.297
  329    HB3  ALA  46           HB3      ALA  46  10.908  -1.884  -7.908
  330    H    GLU  47           HN       GLU  47   8.037  -4.002  -7.402
  331    HA   GLU  47           HA       GLU  47   5.700  -3.274  -8.905
  332    HB2  GLU  47           HB2      GLU  47   5.203  -5.709  -8.861
  333    HB3  GLU  47           HB1      GLU  47   6.811  -5.341  -9.458
  334    HG2  GLU  47           HG2      GLU  47   6.398  -6.049  -6.587
  335    HG3  GLU  47           HG1      GLU  47   6.467  -7.309  -7.815
  336    H    THR  48           HN       THR  48   6.390  -4.224  -5.610
  337    HA   THR  48           HA       THR  48   3.792  -4.864  -4.802
  338    HB   THR  48           HB       THR  48   5.939  -3.696  -3.037
  339    HG1  THR  48           HG1      THR  48   6.786  -5.742  -2.931
  340   HG21  THR  48          HG21      THR  48   3.684  -5.628  -2.480
  341   HG22  THR  48          HG22      THR  48   3.703  -3.924  -2.032
  342   HG23  THR  48          HG23      THR  48   4.862  -5.040  -1.308
  343    H    SER  49           HN       SER  49   5.578  -1.814  -4.308
  344    HA   SER  49           HA       SER  49   3.477  -0.484  -3.016
  345    HG   SER  49           HG       SER  49   6.708   0.063  -4.830
  346    HB2  SER  49           HB2      SER  49   4.734   1.578  -3.544
  347    HB3  SER  49           HB1      SER  49   5.778   0.307  -2.906
  348    H    LYS  50           HN       LYS  50   4.387  -0.674  -6.406
  349    HA   LYS  50           HA       LYS  50   2.593   1.240  -7.400
  350    HB2  LYS  50           HB2      LYS  50   4.547   0.232  -8.615
  351    HB3  LYS  50           HB1      LYS  50   3.589  -1.227  -8.828
  352    HG2  LYS  50           HG2      LYS  50   1.949   0.030 -10.111
  353    HG3  LYS  50           HG1      LYS  50   2.876   1.505  -9.872
  354    HD2  LYS  50           HD2      LYS  50   3.914  -0.961 -11.259
  355    HD3  LYS  50           HD1      LYS  50   3.215   0.429 -12.091
  356    HE2  LYS  50           HE2      LYS  50   5.481   0.881 -12.195
  357    HE3  LYS  50           HE1      LYS  50   4.960   1.782 -10.773
  358    HZ1  LYS  50           HZ1      LYS  50   6.085  -0.950 -10.570
  359    HZ2  LYS  50           HZ2      LYS  50   5.914   0.209  -9.342
  360    HZ3  LYS  50           HZ3      LYS  50   7.069   0.430 -10.559
  361    H    LEU  51           HN       LEU  51   2.277  -2.261  -6.904
  362    HA   LEU  51           HA       LEU  51  -0.381  -2.339  -7.947
  363    HG   LEU  51           HG       LEU  51   1.852  -4.129  -8.776
  364    HB2  LEU  51           HB2      LEU  51   1.270  -4.322  -6.408
  365    HB3  LEU  51           HB1      LEU  51  -0.404  -4.638  -6.831
  366   HD11  LEU  51          HD11      LEU  51   0.297  -6.616  -8.101
  367   HD12  LEU  51          HD12      LEU  51   2.007  -6.317  -7.785
  368   HD13  LEU  51          HD13      LEU  51   1.428  -6.460  -9.444
  369   HD21  LEU  51          HD21      LEU  51  -1.061  -4.726  -9.259
  370   HD22  LEU  51          HD22      LEU  51   0.194  -4.705 -10.497
  371   HD23  LEU  51          HD23      LEU  51  -0.220  -3.222  -9.637
  372    H    ILE  52           HN       ILE  52   1.002  -1.973  -4.705
  373    HA   ILE  52           HA       ILE  52  -1.416  -2.142  -3.293
  374    HB   ILE  52           HB       ILE  52   0.995  -0.423  -2.697
  375   HG12  ILE  52          HG12      ILE  52   0.121  -3.129  -1.664
  376   HG13  ILE  52          HG11      ILE  52   1.488  -2.814  -2.732
  377   HG21  ILE  52          HG21      ILE  52  -0.951   0.463  -1.563
  378   HG22  ILE  52          HG22      ILE  52   0.108  -0.331  -0.400
  379   HG23  ILE  52          HG23      ILE  52  -1.359  -1.140  -0.953
  380   HD11  ILE  52          HD11      ILE  52   1.184  -1.959   0.132
  381   HD12  ILE  52          HD12      ILE  52   2.505  -1.459  -0.924
  382   HD13  ILE  52          HD13      ILE  52   2.300  -3.163  -0.517
  383    H    TYR  53           HN       TYR  53   0.147   0.687  -4.835
  384    HA   TYR  53           HA       TYR  53  -1.960   2.451  -4.144
  385    HD1  TYR  53           HD2      TYR  53  -1.671   4.999  -4.042
  386    HD2  TYR  53           HD1      TYR  53  -0.932   3.949  -8.104
  387    HE1  TYR  53           HE2      TYR  53  -2.765   7.077  -4.775
  388    HE2  TYR  53           HE1      TYR  53  -2.017   6.025  -8.843
  389    HH   TYR  53           HH       TYR  53  -2.449   8.590  -7.018
  390    HB2  TYR  53           HB2      TYR  53   0.208   3.359  -4.805
  391    HB3  TYR  53           HB1      TYR  53   0.023   2.676  -6.422
  392    H    ASP  54           HN       ASP  54  -1.320   0.447  -6.972
  393    HA   ASP  54           HA       ASP  54  -3.513   1.154  -8.551
  394    HB2  ASP  54           HB2      ASP  54  -1.773  -0.285  -9.414
  395    HB3  ASP  54           HB1      ASP  54  -2.125  -1.514  -8.204
  396    H    PHE  55           HN       PHE  55  -3.214  -1.051  -5.868
  397    HA   PHE  55           HA       PHE  55  -5.784  -2.133  -5.781
  398    HD1  PHE  55           HD1      PHE  55  -6.295  -4.204  -3.815
  399    HD2  PHE  55           HD2      PHE  55  -4.847  -0.747  -1.770
  400    HE1  PHE  55           HE1      PHE  55  -7.813  -4.669  -1.936
  401    HE2  PHE  55           HE2      PHE  55  -6.365  -1.216   0.094
  402    HZ   PHE  55           HZ       PHE  55  -7.918  -3.201  -0.047
  403    HB2  PHE  55           HB2      PHE  55  -4.114  -3.081  -4.381
  404    HB3  PHE  55           HB1      PHE  55  -3.726  -1.524  -3.658
  405    H    ILE  56           HN       ILE  56  -4.452   0.671  -4.087
  406    HA   ILE  56           HA       ILE  56  -6.761   1.529  -2.802
  407    HB   ILE  56           HB       ILE  56  -4.434   3.168  -3.817
  408   HG12  ILE  56          HG12      ILE  56  -4.935   1.858  -1.136
  409   HG13  ILE  56          HG11      ILE  56  -3.815   1.270  -2.360
  410   HG21  ILE  56          HG21      ILE  56  -6.474   3.794  -1.688
  411   HG22  ILE  56          HG22      ILE  56  -6.312   4.602  -3.249
  412   HG23  ILE  56          HG23      ILE  56  -5.036   4.751  -2.038
  413   HD11  ILE  56          HD11      ILE  56  -3.613   3.893  -0.906
  414   HD12  ILE  56          HD12      ILE  56  -2.475   3.279  -2.105
  415   HD13  ILE  56          HD13      ILE  56  -2.675   2.440  -0.566
  416    H    GLU  57           HN       GLU  57  -5.464   2.410  -5.970
  417    HA   GLU  57           HA       GLU  57  -7.439   4.171  -6.833
  418    HB2  GLU  57           HB2      GLU  57  -5.637   2.208  -8.212
  419    HB3  GLU  57           HB1      GLU  57  -6.836   3.086  -9.137
  420    HG2  GLU  57           HG2      GLU  57  -4.742   4.391  -7.421
  421    HG3  GLU  57           HG1      GLU  57  -4.565   4.095  -9.150
  422    H    ASP  58           HN       ASP  58  -7.267   0.646  -7.215
  423    HA   ASP  58           HA       ASP  58  -9.643   0.283  -8.635
  424    HB2  ASP  58           HB2      ASP  58  -8.000  -1.472  -8.545
  425    HB3  ASP  58           HB1      ASP  58  -8.147  -1.587  -6.797
  426    H    GLN  59           HN       GLN  59  -9.113   0.645  -5.189
  427    HA   GLN  59           HA       GLN  59 -11.656  -0.383  -4.383
  428    HB2  GLN  59           HB2      GLN  59  -9.862   1.522  -2.867
  429    HB3  GLN  59           HB1      GLN  59 -11.158   0.547  -2.192
  430    HG2  GLN  59           HG2      GLN  59  -8.553  -0.433  -3.337
  431    HG3  GLN  59           HG1      GLN  59  -9.047  -0.446  -1.648
  432   HE21  GLN  59          HE21      GLN  59  -9.321  -1.968  -4.716
  433   HE22  GLN  59          HE22      GLN  59 -10.204  -3.358  -4.202
  434    H    GLY  60           HN       GLY  60 -10.705   2.503  -5.867
  435    HA2  GLY  60           HA2      GLY  60 -12.581   3.922  -6.625
  436    HA3  GLY  60           HA1      GLY  60 -13.195   3.824  -4.982
  437    H    GLY  61           HN       GLY  61  -9.859   4.024  -4.929
  438    HA2  GLY  61           HA2      GLY  61  -8.525   6.035  -5.341
  439    HA3  GLY  61           HA1      GLY  61  -9.916   6.972  -4.831
  440    H    LEU  62           HN       LEU  62  -7.952   7.815  -3.544
  441    HA   LEU  62           HA       LEU  62  -6.760   6.308  -1.518
  442    HG   LEU  62           HG       LEU  62  -6.178   8.459   0.564
  443    HB2  LEU  62           HB2      LEU  62  -5.954   8.483  -2.451
  444    HB3  LEU  62           HB1      LEU  62  -7.204   9.285  -1.520
  445   HD11  LEU  62          HD11      LEU  62  -4.007   7.405  -1.247
  446   HD12  LEU  62          HD12      LEU  62  -5.156   6.425  -0.337
  447   HD13  LEU  62          HD13      LEU  62  -3.979   7.421   0.517
  448   HD21  LEU  62          HD21      LEU  62  -4.205   9.895   0.509
  449   HD22  LEU  62          HD22      LEU  62  -5.571  10.655  -0.308
  450   HD23  LEU  62          HD23      LEU  62  -4.272   9.929  -1.255
  451    H    GLU  63           HN       GLU  63  -9.699   8.266  -1.474
  452    HA   GLU  63           HA       GLU  63 -10.028   8.290   1.334
  453    HB2  GLU  63           HB2      GLU  63 -11.986   8.671  -0.922
  454    HB3  GLU  63           HB1      GLU  63 -12.449   8.805   0.767
  455    HG2  GLU  63           HG2      GLU  63 -10.721  10.586   1.006
  456    HG3  GLU  63           HG1      GLU  63 -10.507  10.515  -0.744
  457    H    ALA  64           HN       ALA  64 -10.880   5.957  -1.121
  458    HA   ALA  64           HA       ALA  64 -12.972   4.654   0.216
  459    HB1  ALA  64           HB1      ALA  64 -12.513   4.364  -2.169
  460    HB2  ALA  64           HB2      ALA  64 -12.590   2.815  -1.330
  461    HB3  ALA  64           HB3      ALA  64 -11.028   3.499  -1.777
  462    H    VAL  65           HN       VAL  65  -9.517   3.788   0.040
  463    HA   VAL  65           HA       VAL  65  -9.751   1.403   1.507
  464    HB   VAL  65           HB       VAL  65  -7.303   3.162   1.253
  465   HG11  VAL  65          HG11      VAL  65  -7.100   1.415   2.962
  466   HG12  VAL  65          HG12      VAL  65  -6.040   1.109   1.588
  467   HG13  VAL  65          HG13      VAL  65  -7.539   0.197   1.764
  468   HG21  VAL  65          HG21      VAL  65  -8.293   0.952  -0.543
  469   HG22  VAL  65          HG22      VAL  65  -6.743   1.779  -0.692
  470   HG23  VAL  65          HG23      VAL  65  -8.244   2.672  -0.933
  471    H    ARG  66           HN       ARG  66  -9.211   4.710   2.468
  472    HA   ARG  66           HA       ARG  66  -8.461   4.238   5.148
  473    HE   ARG  66           HE       ARG  66  -7.635   7.815   6.122
  474    HB2  ARG  66           HB2      ARG  66  -9.770   6.634   3.857
  475    HB3  ARG  66           HB1      ARG  66  -9.087   6.625   5.480
  476    HG2  ARG  66           HG2      ARG  66  -6.890   6.024   4.447
  477    HG3  ARG  66           HG1      ARG  66  -7.633   6.295   2.870
  478    HD2  ARG  66           HD2      ARG  66  -6.417   8.275   3.614
  479    HD3  ARG  66           HD1      ARG  66  -8.147   8.599   3.502
  480   HH11  ARG  66          HH11      ARG  66  -6.784  10.458   3.987
  481   HH12  ARG  66          HH12      ARG  66  -6.538  11.592   5.274
  482   HH21  ARG  66          HH21      ARG  66  -7.299   9.286   7.815
  483   HH22  ARG  66          HH22      ARG  66  -6.802  10.918   7.469
  484    H    GLN  67           HN       GLN  67 -11.536   4.413   3.520
  485    HA   GLN  67           HA       GLN  67 -12.980   4.654   6.039
  486    HB2  GLN  67           HB2      GLN  67 -13.930   4.763   3.184
  487    HB3  GLN  67           HB1      GLN  67 -14.977   4.909   4.590
  488    HG2  GLN  67           HG2      GLN  67 -13.841   6.911   5.289
  489    HG3  GLN  67           HG1      GLN  67 -12.673   6.743   3.982
  490   HE21  GLN  67          HE21      GLN  67 -13.285   7.203   1.897
  491   HE22  GLN  67          HE22      GLN  67 -14.715   8.118   1.524
  492    H    GLU  68           HN       GLU  68 -12.278   2.269   3.580
  493    HA   GLU  68           HA       GLU  68 -14.473   0.572   4.044
  494    HB2  GLU  68           HB2      GLU  68 -11.725  -0.245   3.102
  495    HB3  GLU  68           HB1      GLU  68 -13.203  -1.185   2.940
  496    HG2  GLU  68           HG2      GLU  68 -14.043   0.978   1.706
  497    HG3  GLU  68           HG1      GLU  68 -12.312   1.223   1.472
  498    H    MET  69           HN       MET  69 -11.696   1.177   5.917
  499    HA   MET  69           HA       MET  69 -11.405  -1.086   7.477
  500    HB2  MET  69           HB2      MET  69 -11.287   1.830   8.193
  501    HB3  MET  69           HB1      MET  69 -10.953   0.569   9.375
  502    HG2  MET  69           HG2      MET  69  -9.204  -0.306   7.862
  503    HG3  MET  69           HG1      MET  69  -9.486   1.077   6.805
  504    HE1  MET  69           HE1      MET  69  -6.783   1.183   7.132
  505    HE2  MET  69           HE2      MET  69  -6.823  -0.034   8.406
  506    HE3  MET  69           HE3      MET  69  -6.012   1.511   8.688
  507    H    ARG  70           HN       ARG  70 -13.893   1.379   7.576
  508    HA   ARG  70           HA       ARG  70 -15.393  -0.199   9.554
  509    HE   ARG  70           HE       ARG  70 -16.866   4.292  10.597
  510    HB2  ARG  70           HB2      ARG  70 -16.416   2.013  10.187
  511    HB3  ARG  70           HB1      ARG  70 -14.700   1.860  10.543
  512    HG2  ARG  70           HG2      ARG  70 -14.272   3.043   8.350
  513    HG3  ARG  70           HG1      ARG  70 -15.993   3.420   8.332
  514    HD2  ARG  70           HD2      ARG  70 -14.225   4.090  10.665
  515    HD3  ARG  70           HD1      ARG  70 -14.417   5.177   9.291
  516   HH11  ARG  70          HH11      ARG  70 -14.393   6.757  10.296
  517   HH12  ARG  70          HH12      ARG  70 -15.404   8.030  10.911
  518   HH21  ARG  70          HH21      ARG  70 -18.194   5.958  11.411
  519   HH22  ARG  70          HH22      ARG  70 -17.580   7.579  11.519
  520    H    ARG  71           HN       ARG  71 -15.258   0.009   6.481
  521    HA   ARG  71           HA       ARG  71 -18.073   0.665   5.943
  522    HE   ARG  71           HE       ARG  71 -18.715   0.716   0.872
  523    HB2  ARG  71           HB2      ARG  71 -16.412   1.906   4.615
  524    HB3  ARG  71           HB1      ARG  71 -15.751   0.391   4.028
  525    HG2  ARG  71           HG2      ARG  71 -18.629   0.829   3.562
  526    HG3  ARG  71           HG1      ARG  71 -17.517   1.864   2.663
  527    HD2  ARG  71           HD2      ARG  71 -16.316  -0.223   1.941
  528    HD3  ARG  71           HD1      ARG  71 -17.623  -1.152   2.670
  529   HH11  ARG  71          HH11      ARG  71 -16.902  -2.284   0.911
  530   HH12  ARG  71          HH12      ARG  71 -17.353  -2.723  -0.711
  531   HH21  ARG  71          HH21      ARG  71 -19.357   0.109  -1.246
  532   HH22  ARG  71          HH22      ARG  71 -18.784  -1.389  -1.918
  533    H    GLN  72           HN       GLN  72 -15.570  -1.659   5.067
  534    HA   GLN  72           HA       GLN  72 -15.613  -3.809   4.351
  535    HB2  GLN  72           HB2      GLN  72 -16.876  -3.896   6.662
  536    HB3  GLN  72           HB1      GLN  72 -18.270  -4.254   5.654
  537    HG2  GLN  72           HG2      GLN  72 -15.703  -5.826   5.757
  538    HG3  GLN  72           HG1      GLN  72 -17.231  -6.285   6.499
  539   HE21  GLN  72          HE21      GLN  72 -15.437  -6.026   3.548
  540   HE22  GLN  72          HE22      GLN  72 -16.527  -6.930   2.557
  541    H1   GLY  73           HT1      GLY  73 -10.432 -17.082   1.389
  542    H2   GLY  73           HT2      GLY  73 -11.991 -16.720   0.832
  543    H3   GLY  73           HT3      GLY  73 -11.764 -17.261   2.422
  544    HA2  GLY  73           HA1      GLY  73 -10.749 -14.705   1.313
  545    HA3  GLY  73           HA2      GLY  73 -12.168 -14.871   2.335
  546    H    HIS  74           HN       HIS  74  -9.607 -13.415   2.713
  547    HA   HIS  74           HA       HIS  74  -8.318 -14.724   4.942
  548    HD1  HIS  74           HD1      HIS  74  -6.141 -15.021   3.744
  549    HD2  HIS  74           HD2      HIS  74  -6.858 -11.415   1.784
  550    HE1  HIS  74           HE1      HIS  74  -4.853 -15.156   1.592
  551    HE2  HIS  74           HE2      HIS  74  -5.546 -13.104   0.310
  552    HB2  HIS  74           HB2      HIS  74  -8.169 -11.811   4.106
  553    HB3  HIS  74           HB1      HIS  74  -7.068 -12.641   5.199
  554    H    MET  75           HN       MET  75  -8.606 -14.208   7.147
  555    HA   MET  75           HA       MET  75 -11.325 -13.344   7.659
  556    HB2  MET  75           HB2      MET  75  -9.245 -14.453   9.547
  557    HB3  MET  75           HB1      MET  75 -10.917 -14.105   9.971
  558    HG2  MET  75           HG2      MET  75  -9.862 -16.204   8.114
  559    HG3  MET  75           HG1      MET  75 -10.827 -16.410   9.573
  560    HE1  MET  75           HE1      MET  75 -14.306 -14.950   8.347
  561    HE2  MET  75           HE2      MET  75 -12.997 -14.019   9.075
  562    HE3  MET  75           HE3      MET  75 -13.420 -15.602   9.726
  563    H    LEU  76           HN       LEU  76 -10.495 -11.168   6.850
  564    HA   LEU  76           HA       LEU  76  -9.857  -9.562   9.236
  565    HG   LEU  76           HG       LEU  76  -7.446 -10.433   7.580
  566    HB2  LEU  76           HB2      LEU  76  -9.077  -9.094   6.357
  567    HB3  LEU  76           HB1      LEU  76  -8.996  -7.844   7.583
  568   HD11  LEU  76          HD11      LEU  76  -5.502  -8.982   7.322
  569   HD12  LEU  76          HD12      LEU  76  -6.563  -7.577   7.232
  570   HD13  LEU  76          HD13      LEU  76  -6.622  -8.808   5.971
  571   HD21  LEU  76          HD21      LEU  76  -7.435  -8.162   9.566
  572   HD22  LEU  76          HD22      LEU  76  -6.322  -9.529   9.564
  573   HD23  LEU  76          HD23      LEU  76  -8.042  -9.794   9.851
  574    HA   PRO  77           HA       PRO  77 -13.832  -7.942   8.412
  575    HB2  PRO  77           HB2      PRO  77 -13.988  -6.233  10.452
  576    HB3  PRO  77           HB1      PRO  77 -13.861  -7.976  10.719
  577    HG2  PRO  77           HG2      PRO  77 -11.810  -5.858  11.040
  578    HG3  PRO  77           HG1      PRO  77 -12.009  -7.375  11.929
  579    HD2  PRO  77           HD2      PRO  77 -10.229  -6.863   9.775
  580    HD3  PRO  77           HD1      PRO  77 -10.564  -8.428  10.543
  581    H    ASP  78           HN       ASP  78 -11.385  -6.488   7.119
  582    HA   ASP  78           HA       ASP  78 -12.898  -4.196   6.279
  583    HB2  ASP  78           HB2      ASP  78 -11.261  -2.511   6.886
  584    HB3  ASP  78           HB1      ASP  78 -11.805  -3.355   8.328
  585    H    VAL  79           HN       VAL  79 -10.896  -2.763   5.070
  586    HA   VAL  79           HA       VAL  79 -10.705  -4.188   2.649
  587    HB   VAL  79           HB       VAL  79 -11.009  -1.840   2.555
  588   HG11  VAL  79          HG11      VAL  79  -8.383  -1.513   3.991
  589   HG12  VAL  79          HG12      VAL  79  -9.983  -1.257   4.691
  590   HG13  VAL  79          HG13      VAL  79  -9.418  -0.216   3.384
  591   HG21  VAL  79          HG21      VAL  79  -9.240  -1.080   1.092
  592   HG22  VAL  79          HG22      VAL  79  -9.641  -2.762   0.740
  593   HG23  VAL  79          HG23      VAL  79  -8.181  -2.373   1.659
  594    H    ALA  80           HN       ALA  80  -8.589  -4.131   5.341
  595    HA   ALA  80           HA       ALA  80  -6.067  -4.393   4.264
  596    HB1  ALA  80           HB1      ALA  80  -6.398  -4.289   6.615
  597    HB2  ALA  80           HB2      ALA  80  -5.555  -5.792   6.242
  598    HB3  ALA  80           HB3      ALA  80  -7.281  -5.816   6.607
  599    H    GLN  81           HN       GLN  81  -8.490  -6.960   4.658
  600    HA   GLN  81           HA       GLN  81  -6.870  -9.121   3.840
  601    HB2  GLN  81           HB2      GLN  81  -9.004 -10.310   3.453
  602    HB3  GLN  81           HB1      GLN  81  -9.020  -9.453   4.989
  603    HG2  GLN  81           HG2      GLN  81 -10.406  -7.737   4.115
  604    HG3  GLN  81           HG1      GLN  81 -10.204  -8.324   2.468
  605   HE21  GLN  81          HE21      GLN  81 -10.507 -11.111   3.294
  606   HE22  GLN  81          HE22      GLN  81 -12.191 -11.338   3.595
  607    H    ARG  82           HN       ARG  82  -8.613  -6.693   2.124
  608    HA   ARG  82           HA       ARG  82  -8.899  -8.045  -0.351
  609    HE   ARG  82           HE       ARG  82 -11.966  -6.457  -3.145
  610    HB2  ARG  82           HB2      ARG  82  -9.883  -5.816   0.874
  611    HB3  ARG  82           HB1      ARG  82  -8.853  -5.148  -0.375
  612    HG2  ARG  82           HG2      ARG  82 -10.769  -7.315  -1.041
  613    HG3  ARG  82           HG1      ARG  82 -11.317  -5.665  -0.842
  614    HD2  ARG  82           HD2      ARG  82  -9.668  -4.943  -2.531
  615    HD3  ARG  82           HD1      ARG  82  -9.222  -6.634  -2.767
  616   HH11  ARG  82          HH11      ARG  82  -9.048  -5.232  -4.638
  617   HH12  ARG  82          HH12      ARG  82  -9.784  -4.985  -6.192
  618   HH21  ARG  82          HH21      ARG  82 -12.923  -6.206  -5.210
  619   HH22  ARG  82          HH22      ARG  82 -11.976  -5.574  -6.527
  620    H    LEU  83           HN       LEU  83  -6.311  -6.473   1.213
  621    HA   LEU  83           HA       LEU  83  -4.977  -5.640  -1.234
  622    HG   LEU  83           HG       LEU  83  -4.301  -3.329  -0.490
  623    HB2  LEU  83           HB2      LEU  83  -4.891  -4.753   1.383
  624    HB3  LEU  83           HB1      LEU  83  -3.382  -5.627   1.209
  625   HD11  LEU  83          HD11      LEU  83  -2.078  -3.496   1.513
  626   HD12  LEU  83          HD12      LEU  83  -3.614  -2.662   1.740
  627   HD13  LEU  83          HD13      LEU  83  -2.478  -2.100   0.513
  628   HD21  LEU  83          HD21      LEU  83  -3.010  -4.909  -1.816
  629   HD22  LEU  83          HD22      LEU  83  -1.725  -4.873  -0.607
  630   HD23  LEU  83          HD23      LEU  83  -2.102  -3.422  -1.537
  631    H    MET  84           HN       MET  84  -4.763  -8.121   1.251
  632    HA   MET  84           HA       MET  84  -2.329  -9.284   0.537
  633    HB2  MET  84           HB2      MET  84  -4.833 -10.670   1.519
  634    HB3  MET  84           HB1      MET  84  -3.215 -11.355   1.528
  635    HG2  MET  84           HG2      MET  84  -2.477  -9.667   3.095
  636    HG3  MET  84           HG1      MET  84  -4.072  -8.917   3.059
  637    HE1  MET  84           HE1      MET  84  -2.514  -9.856   5.718
  638    HE2  MET  84           HE2      MET  84  -3.856 -10.543   6.633
  639    HE3  MET  84           HE3      MET  84  -4.081  -9.046   5.727
  640    H    GLN  85           HN       GLN  85  -5.570  -9.771  -0.723
  641    HA   GLN  85           HA       GLN  85  -5.006 -11.818  -2.566
  642    HB2  GLN  85           HB2      GLN  85  -7.116  -9.648  -2.605
  643    HB3  GLN  85           HB1      GLN  85  -7.087 -11.018  -3.706
  644    HG2  GLN  85           HG2      GLN  85  -7.263 -11.237  -0.714
  645    HG3  GLN  85           HG1      GLN  85  -8.641 -11.295  -1.813
  646   HE21  GLN  85          HE21      GLN  85  -8.919 -13.075  -3.140
  647   HE22  GLN  85          HE22      GLN  85  -8.096 -14.576  -2.862
  648    H    HIS  86           HN       HIS  86  -5.127  -8.298  -2.944
  649    HA   HIS  86           HA       HIS  86  -4.840  -8.286  -5.736
  650    HD1  HIS  86           HD1      HIS  86  -6.412  -6.328  -6.814
  651    HD2  HIS  86           HD2      HIS  86  -2.884  -4.370  -5.773
  652    HE1  HIS  86           HE1      HIS  86  -5.962  -4.706  -8.682
  653    HE2  HIS  86           HE2      HIS  86  -3.839  -3.516  -8.039
  654    HB2  HIS  86           HB2      HIS  86  -5.674  -6.424  -4.208
  655    HB3  HIS  86           HB1      HIS  86  -3.980  -6.043  -3.918
  656    H    LEU  87           HN       LEU  87  -2.487  -8.474  -3.184
  657    HA   LEU  87           HA       LEU  87  -0.276  -7.955  -4.983
  658    HG   LEU  87           HG       LEU  87  -1.189  -6.575  -2.373
  659    HB2  LEU  87           HB2      LEU  87  -0.315  -8.881  -2.111
  660    HB3  LEU  87           HB1      LEU  87   1.119  -8.413  -3.006
  661   HD11  LEU  87          HD11      LEU  87   0.327  -5.545  -0.760
  662   HD12  LEU  87          HD12      LEU  87   1.540  -6.778  -1.108
  663   HD13  LEU  87          HD13      LEU  87   0.010  -7.236  -0.360
  664   HD21  LEU  87          HD21      LEU  87  -0.024  -5.955  -4.414
  665   HD22  LEU  87          HD22      LEU  87   1.526  -6.048  -3.576
  666   HD23  LEU  87          HD23      LEU  87   0.351  -4.813  -3.121
  667    H    ALA  88           HN       ALA  88  -1.559 -10.680  -3.121
  668    HA   ALA  88           HA       ALA  88   0.360 -12.582  -3.846
  669    HB1  ALA  88           HB1      ALA  88  -1.264 -14.251  -3.080
  670    HB2  ALA  88           HB2      ALA  88  -2.520 -13.010  -3.056
  671    HB3  ALA  88           HB3      ALA  88  -1.140 -12.891  -1.963
  672    H    GLU  89           HN       GLU  89  -2.498 -11.499  -5.536
  673    HA   GLU  89           HA       GLU  89  -2.778 -13.778  -7.204
  674    HB2  GLU  89           HB2      GLU  89  -4.375 -12.459  -8.456
  675    HB3  GLU  89           HB1      GLU  89  -4.639 -12.255  -6.731
  676    HG2  GLU  89           HG2      GLU  89  -3.646 -10.095  -6.751
  677    HG3  GLU  89           HG1      GLU  89  -3.075 -10.310  -8.404
  678    H    HIS  90           HN       HIS  90  -0.600 -11.117  -7.348
  679    HA   HIS  90           HA       HIS  90  -0.359 -11.385 -10.265
  680    HD1  HIS  90           HD1      HIS  90  -0.755  -9.228 -11.997
  681    HD2  HIS  90           HD2      HIS  90  -1.996  -7.905  -8.252
  682    HE1  HIS  90           HE1      HIS  90  -2.872  -7.938 -12.401
  683    HE2  HIS  90           HE2      HIS  90  -3.709  -7.314 -10.110
  684    HB2  HIS  90           HB2      HIS  90   0.398  -9.174  -8.381
  685    HB3  HIS  90           HB1      HIS  90   1.093  -9.263  -9.993
  686    H    GLY  91           HN       GLY  91   1.831 -10.912  -7.489
  687    HA2  GLY  91           HA2      GLY  91   3.658 -12.772  -7.567
  688    HA3  GLY  91           HA1      GLY  91   4.010 -12.019  -9.120
  689    H    ILE  92           HN       ILE  92   3.502 -11.168  -5.730
  690    HA   ILE  92           HA       ILE  92   4.956  -8.682  -6.120
  691    HB   ILE  92           HB       ILE  92   3.128  -9.762  -4.016
  692   HG12  ILE  92          HG12      ILE  92   2.035  -8.683  -5.804
  693   HG13  ILE  92          HG11      ILE  92   2.051  -7.515  -4.487
  694   HG21  ILE  92          HG21      ILE  92   4.841  -7.312  -3.660
  695   HG22  ILE  92          HG22      ILE  92   4.941  -8.804  -2.724
  696   HG23  ILE  92          HG23      ILE  92   3.499  -7.795  -2.622
  697   HD11  ILE  92          HD11      ILE  92   2.592  -6.322  -6.437
  698   HD12  ILE  92          HD12      ILE  92   3.745  -7.551  -6.957
  699   HD13  ILE  92          HD13      ILE  92   4.112  -6.535  -5.565
  700    H    GLN  93           HN       GLN  93   6.734  -8.026  -4.971
  701    HA   GLN  93           HA       GLN  93   8.372 -10.116  -3.751
  702    HB2  GLN  93           HB2      GLN  93   8.909  -7.775  -5.282
  703    HB3  GLN  93           HB1      GLN  93   9.606  -7.527  -3.688
  704    HG2  GLN  93           HG2      GLN  93  11.270  -8.477  -5.107
  705    HG3  GLN  93           HG1      GLN  93  10.788  -9.690  -3.921
  706   HE21  GLN  93          HE21      GLN  93   8.926  -8.796  -6.758
  707   HE22  GLN  93          HE22      GLN  93   9.085 -10.319  -7.566
  708    HA   PRO  94           HA       PRO  94   6.639  -8.514   0.101
  709    HB2  PRO  94           HB2      PRO  94   7.750 -10.934   1.274
  710    HB3  PRO  94           HB1      PRO  94   6.060 -10.454   1.116
  711    HG2  PRO  94           HG2      PRO  94   7.154 -12.504  -0.286
  712    HG3  PRO  94           HG1      PRO  94   5.812 -11.520  -0.896
  713    HD2  PRO  94           HD2      PRO  94   8.727 -11.369  -1.566
  714    HD3  PRO  94           HD1      PRO  94   7.312 -11.208  -2.625
  715    H    ALA  95           HN       ALA  95   7.536  -8.099   2.242
  716    HA   ALA  95           HA       ALA  95  10.162  -6.988   2.071
  717    HB1  ALA  95           HB1      ALA  95   8.331  -7.221   4.459
  718    HB2  ALA  95           HB2      ALA  95   8.346  -5.888   3.303
  719    HB3  ALA  95           HB3      ALA  95   9.750  -6.181   4.331
  720    H    ARG  96           HN       ARG  96   9.440 -10.054   2.306
  721    HA   ARG  96           HA       ARG  96  11.635 -10.655   4.166
  722    HE   ARG  96           HE       ARG  96  11.274 -12.707   6.601
  723    HB2  ARG  96           HB2      ARG  96   9.103 -12.256   3.757
  724    HB3  ARG  96           HB1      ARG  96  10.475 -12.778   4.722
  725    HG2  ARG  96           HG2      ARG  96   8.806 -10.336   5.251
  726    HG3  ARG  96           HG1      ARG  96   8.665 -11.877   6.097
  727    HD2  ARG  96           HD2      ARG  96  11.145 -10.164   6.022
  728    HD3  ARG  96           HD1      ARG  96   9.979 -10.176   7.342
  729   HH11  ARG  96          HH11      ARG  96  10.968 -10.012   8.842
  730   HH12  ARG  96          HH12      ARG  96  11.772 -10.848  10.141
  731   HH21  ARG  96          HH21      ARG  96  12.353 -13.786   8.316
  732   HH22  ARG  96          HH22      ARG  96  12.565 -12.969   9.839
  733    H    ASN  97           HN       ASN  97  13.053 -10.636   2.378
  734    HA   ASN  97           HA       ASN  97  13.510 -13.157   1.235
  735    HB2  ASN  97           HB2      ASN  97  12.952 -12.957  -1.024
  736    HB3  ASN  97           HB1      ASN  97  11.568 -12.236  -0.221
  737   HD21  ASN  97          HD21      ASN  97  11.317  -9.954  -0.296
  738   HD22  ASN  97          HD22      ASN  97  12.105  -9.020  -1.518
  739    H    MET  98           HN       MET  98  13.979  -9.692   1.022
  740    HA   MET  98           HA       MET  98  16.879 -10.139   1.006
  741    HB2  MET  98           HB2      MET  98  15.341  -8.119  -0.636
  742    HB3  MET  98           HB1      MET  98  17.065  -7.983  -0.330
  743    HG2  MET  98           HG2      MET  98  17.452 -10.098  -1.464
  744    HG3  MET  98           HG1      MET  98  15.719 -10.280  -1.736
  745    HE1  MET  98           HE1      MET  98  18.301  -6.972  -3.668
  746    HE2  MET  98           HE2      MET  98  18.938  -8.213  -2.589
  747    HE3  MET  98           HE3      MET  98  17.858  -6.969  -1.960
  748    H    ALA  99           HN       ALA  99  17.941  -9.008   2.540
  749    HA   ALA  99           HA       ALA  99  16.372  -7.306   4.298
  750    HB1  ALA  99           HB1      ALA  99  17.886  -9.030   5.229
  751    HB2  ALA  99           HB2      ALA  99  18.265  -7.403   5.794
  752    HB3  ALA  99           HB3      ALA  99  19.257  -8.155   4.545
  753    H    GLU 100           HN       GLU 100  16.187  -5.237   3.819
  754    HA   GLU 100           HA       GLU 100  16.618  -3.117   3.149
  755    HB2  GLU 100           HB2      GLU 100  18.685  -3.324   4.505
  756    HB3  GLU 100           HB1      GLU 100  19.525  -3.960   3.098
  757    HG2  GLU 100           HG2      GLU 100  19.321  -1.875   1.952
  758    HG3  GLU 100           HG1      GLU 100  18.263  -1.233   3.209
  759    H    HIS 101           HN       HIS 101  16.537  -2.074   1.177
  760    HA   HIS 101           HA       HIS 101  16.565  -3.855  -1.087
  761    HD1  HIS 101           HD1      HIS 101  13.388  -0.617  -0.314
  762    HD2  HIS 101           HD2      HIS 101  14.270  -4.544  -1.361
  763    HE1  HIS 101           HE1      HIS 101  11.300  -1.936   0.175
  764    HE2  HIS 101           HE2      HIS 101  11.760  -4.213  -0.791
  765    HB2  HIS 101           HB2      HIS 101  15.819  -0.943  -0.826
  766    HB3  HIS 101           HB1      HIS 101  15.760  -1.827  -2.350
  767    H    ILE 102           HN       ILE 102  18.774  -4.341  -1.131
  768    HA   ILE 102           HA       ILE 102  20.701  -2.341  -1.885
  769    HB   ILE 102           HB       ILE 102  20.874  -5.363  -1.968
  770   HG12  ILE 102          HG12      ILE 102  20.552  -4.485   0.303
  771   HG13  ILE 102          HG11      ILE 102  22.171  -5.144   0.102
  772   HG21  ILE 102          HG21      ILE 102  22.462  -4.340  -3.500
  773   HG22  ILE 102          HG22      ILE 102  23.298  -5.034  -2.112
  774   HG23  ILE 102          HG23      ILE 102  23.052  -3.291  -2.209
  775   HD11  ILE 102          HD11      ILE 102  21.424  -2.229   0.052
  776   HD12  ILE 102          HD12      ILE 102  23.048  -2.877  -0.177
  777   HD13  ILE 102          HD13      ILE 102  22.227  -3.084   1.371
  778    HA   PRO 103           HA       PRO 103  19.457  -2.331  -6.178
  779    HB2  PRO 103           HB2      PRO 103  21.725  -1.033  -7.078
  780    HB3  PRO 103           HB1      PRO 103  20.292  -0.226  -6.433
  781    HG2  PRO 103           HG2      PRO 103  22.881  -0.855  -5.095
  782    HG3  PRO 103           HG1      PRO 103  21.852   0.579  -4.936
  783    HD2  PRO 103           HD2      PRO 103  21.910  -1.362  -3.067
  784    HD3  PRO 103           HD1      PRO 103  20.434  -0.449  -3.436
  785    HA   PRO 104           HA       PRO 104  21.686  -6.088  -7.244
  786    HB2  PRO 104           HB2      PRO 104  19.995  -5.926  -9.658
  787    HB3  PRO 104           HB1      PRO 104  20.120  -7.219  -8.461
  788    HG2  PRO 104           HG2      PRO 104  17.962  -5.640  -8.595
  789    HG3  PRO 104           HG1      PRO 104  18.585  -6.230  -7.043
  790    HD2  PRO 104           HD2      PRO 104  18.907  -3.538  -8.314
  791    HD3  PRO 104           HD1      PRO 104  18.597  -3.951  -6.613
  792    H    ALA 105           HN       ALA 105  23.615  -6.118  -8.173
  793    HA   ALA 105           HA       ALA 105  24.368  -4.148 -10.137
  794    HB1  ALA 105           HB1      ALA 105  25.902  -6.497  -9.025
  795    HB2  ALA 105           HB2      ALA 105  25.943  -4.846  -8.406
  796    HB3  ALA 105           HB3      ALA 105  26.574  -5.202 -10.015
  797    HA   PRO 106           HA       PRO 106  23.270  -6.735 -13.599
  798    HB2  PRO 106           HB2      PRO 106  24.715  -4.839 -15.272
  799    HB3  PRO 106           HB1      PRO 106  22.976  -5.124 -15.173
  800    HG2  PRO 106           HG2      PRO 106  24.153  -2.841 -14.294
  801    HG3  PRO 106           HG1      PRO 106  22.669  -3.500 -13.581
  802    HD2  PRO 106           HD2      PRO 106  25.493  -3.690 -12.600
  803    HD3  PRO 106           HD1      PRO 106  23.999  -3.392 -11.684
  804    H    ASN 107           HN       ASN 107  25.091  -8.074 -12.429
  805    HA   ASN 107           HA       ASN 107  27.669  -7.980 -13.742
  806    HB2  ASN 107           HB2      ASN 107  26.561  -9.867 -11.650
  807    HB3  ASN 107           HB1      ASN 107  28.214  -9.901 -12.247
  808   HD21  ASN 107          HD21      ASN 107  28.349  -6.963 -12.423
  809   HD22  ASN 107          HD22      ASN 107  28.514  -6.407 -10.795
  810    H    TRP 108           HN       TRP 108  25.992  -8.382 -15.719
  811    HA   TRP 108           HA       TRP 108  26.687 -11.075 -16.552
  812    HD1  TRP 108           HD1      TRP 108  23.219  -9.140 -18.661
  813    HE1  TRP 108           HE1      TRP 108  21.407  -7.598 -17.676
  814    HE3  TRP 108           HE3      TRP 108  23.608 -10.473 -13.735
  815    HZ2  TRP 108           HZ2      TRP 108  20.292  -7.026 -15.144
  816    HZ3  TRP 108           HZ3      TRP 108  22.130  -9.383 -12.100
  817    HH2  TRP 108           HH2      TRP 108  20.506  -7.693 -12.793
  818    HB2  TRP 108           HB2      TRP 108  24.414 -11.344 -17.638
  819    HB3  TRP 108           HB1      TRP 108  24.454 -11.495 -15.888
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -16.809  22.407  -0.095
    2    H2   GLY   1           HT2      GLY   1 -17.532  21.077   0.670
    3    H3   GLY   1           HT3      GLY   1 -16.726  20.868  -0.807
    4    HA2  GLY   1           HA1      GLY   1 -15.454  21.684   1.748
    5    HA3  GLY   1           HA2      GLY   1 -15.404  20.065   1.061
    6    H    HIS   2           HN       HIS   2 -13.471  22.524   1.552
    7    HA   HIS   2           HA       HIS   2 -12.381  22.877  -1.106
    8    HD1  HIS   2           HD1      HIS   2 -11.694  25.765  -1.591
    9    HD2  HIS   2           HD2      HIS   2 -13.699  25.414   2.034
   10    HE1  HIS   2           HE1      HIS   2 -13.310  27.693  -1.519
   11    HE2  HIS   2           HE2      HIS   2 -14.353  27.578   0.775
   12    HB2  HIS   2           HB2      HIS   2 -11.479  23.820   1.615
   13    HB3  HIS   2           HB1      HIS   2 -10.577  24.149   0.140
   14    H    MET   3           HN       MET   3 -12.274  20.348  -1.054
   15    HA   MET   3           HA       MET   3 -11.025  18.456  -1.116
   16    HB2  MET   3           HB2      MET   3  -8.922  20.584  -1.419
   17    HB3  MET   3           HB1      MET   3  -8.494  18.880  -1.420
   18    HG2  MET   3           HG2      MET   3  -8.706  19.665  -3.680
   19    HG3  MET   3           HG1      MET   3  -9.994  18.519  -3.326
   20    HE1  MET   3           HE1      MET   3 -11.663  20.992  -5.859
   21    HE2  MET   3           HE2      MET   3 -11.317  19.303  -5.492
   22    HE3  MET   3           HE3      MET   3  -9.996  20.418  -5.849
   23    H    SER   4           HN       SER   4 -11.874  18.526   1.243
   24    HA   SER   4           HA       SER   4  -9.913  18.805   3.299
   25    HG   SER   4           HG       SER   4 -13.195  16.953   2.895
   26    HB2  SER   4           HB2      SER   4 -11.862  17.456   4.528
   27    HB3  SER   4           HB1      SER   4 -12.014  19.175   4.148
   28    H    GLY   5           HN       GLY   5  -8.195  17.473   2.886
   29    HA2  GLY   5           HA2      GLY   5  -7.328  15.304   3.634
   30    HA3  GLY   5           HA1      GLY   5  -8.759  14.572   2.913
   31    H    PHE   6           HN       PHE   6  -6.257  13.657   2.231
   32    HA   PHE   6           HA       PHE   6  -5.249  14.948  -0.096
   33    HD1  PHE   6           HD1      PHE   6  -5.356  10.614   0.115
   34    HD2  PHE   6           HD2      PHE   6  -4.012  13.188   3.220
   35    HE1  PHE   6           HE1      PHE   6  -5.805   8.848   1.767
   36    HE2  PHE   6           HE2      PHE   6  -4.453  11.431   4.878
   37    HZ   PHE   6           HZ       PHE   6  -5.259   9.254   4.177
   38    HB2  PHE   6           HB2      PHE   6  -4.085  12.615  -0.368
   39    HB3  PHE   6           HB1      PHE   6  -3.596  13.716   0.912
   40    H    LYS   7           HN       LYS   7  -7.903  12.963   0.444
   41    HA   LYS   7           HA       LYS   7  -9.528  12.135  -0.898
   42    HB2  LYS   7           HB2      LYS   7  -9.539  14.634  -1.266
   43    HB3  LYS   7           HB1      LYS   7  -8.689  14.338  -2.772
   44    HG2  LYS   7           HG2      LYS   7 -11.041  14.634  -3.197
   45    HG3  LYS   7           HG1      LYS   7 -10.577  12.968  -3.551
   46    HD2  LYS   7           HD2      LYS   7 -12.700  13.034  -2.358
   47    HD3  LYS   7           HD1      LYS   7 -11.456  12.270  -1.371
   48    HE2  LYS   7           HE2      LYS   7 -11.122  14.524  -0.276
   49    HE3  LYS   7           HE1      LYS   7 -12.589  15.047  -1.103
   50    HZ1  LYS   7           HZ1      LYS   7 -12.331  12.884   0.923
   51    HZ2  LYS   7           HZ2      LYS   7 -13.735  13.145   0.006
   52    HZ3  LYS   7           HZ3      LYS   7 -13.186  14.343   1.071
   53    H    HIS   8           HN       HIS   8  -7.906  13.263  -3.754
   54    HA   HIS   8           HA       HIS   8  -6.715  10.721  -4.377
   55    HD1  HIS   8           HD1      HIS   8  -8.333  11.097  -8.469
   56    HD2  HIS   8           HD2      HIS   8  -7.250   8.237  -5.648
   57    HE1  HIS   8           HE1      HIS   8  -7.450   9.138  -9.785
   58    HE2  HIS   8           HE2      HIS   8  -6.625   7.499  -8.048
   59    HB2  HIS   8           HB2      HIS   8  -9.132  10.478  -5.036
   60    HB3  HIS   8           HB1      HIS   8  -8.904  11.802  -6.171
   61    H    VAL   9           HN       VAL   9  -5.176  12.739  -3.996
   62    HA   VAL   9           HA       VAL   9  -4.902  14.489  -6.273
   63    HB   VAL   9           HB       VAL   9  -2.961  13.981  -3.997
   64   HG11  VAL   9          HG11      VAL   9  -1.874  15.018  -5.915
   65   HG12  VAL   9          HG12      VAL   9  -2.014  16.160  -4.578
   66   HG13  VAL   9          HG13      VAL   9  -3.115  16.274  -5.951
   67   HG21  VAL   9          HG21      VAL   9  -3.873  16.032  -3.010
   68   HG22  VAL   9          HG22      VAL   9  -5.095  14.769  -3.153
   69   HG23  VAL   9          HG23      VAL   9  -5.074  16.111  -4.298
   70    H    SER  10           HN       SER  10  -3.970  11.376  -5.397
   71    HA   SER  10           HA       SER  10  -2.933   9.694  -6.473
   72    HG   SER  10           HG       SER  10  -4.661  10.347  -9.465
   73    HB2  SER  10           HB2      SER  10  -2.783  11.612  -8.803
   74    HB3  SER  10           HB1      SER  10  -2.538   9.867  -8.875
   75    H    HIS  11           HN       HIS  11  -1.512  12.026  -5.128
   76    HA   HIS  11           HA       HIS  11   1.179  11.483  -6.152
   77    HD1  HIS  11           HD1      HIS  11   1.310  15.979  -5.063
   78    HD2  HIS  11           HD2      HIS  11   0.410  13.022  -7.850
   79    HE1  HIS  11           HE1      HIS  11   1.147  17.159  -7.276
   80    HE2  HIS  11           HE2      HIS  11   0.483  15.373  -8.932
   81    HB2  HIS  11           HB2      HIS  11   0.173  13.535  -4.176
   82    HB3  HIS  11           HB1      HIS  11   1.881  13.240  -4.468
   83    H    VAL  12           HN       VAL  12  -0.613  11.619  -3.095
   84    HA   VAL  12           HA       VAL  12  -0.753  10.200  -1.336
   85    HB   VAL  12           HB       VAL  12   0.431   8.040  -3.045
   86   HG11  VAL  12          HG11      VAL  12  -1.223   6.638  -1.889
   87   HG12  VAL  12          HG12      VAL  12  -1.749   8.046  -0.966
   88   HG13  VAL  12          HG13      VAL  12  -0.111   7.422  -0.767
   89   HG21  VAL  12          HG21      VAL  12  -1.799   7.670  -4.019
   90   HG22  VAL  12          HG22      VAL  12  -1.121   9.230  -4.487
   91   HG23  VAL  12          HG23      VAL  12  -2.366   9.147  -3.240
   92    H    GLY  13           HN       GLY  13   2.123  11.332  -2.209
   93    HA2  GLY  13           HA2      GLY  13   4.261  11.253  -1.345
   94    HA3  GLY  13           HA1      GLY  13   3.600  10.328   0.000
   95    H    TRP  14           HN       TRP  14   3.282   9.379  -3.333
   96    HA   TRP  14           HA       TRP  14   4.849   6.961  -2.723
   97    HD1  TRP  14           HD1      TRP  14   3.990   4.110  -3.050
   98    HE1  TRP  14           HE1      TRP  14   4.108   2.440  -5.000
   99    HE3  TRP  14           HE3      TRP  14   2.209   7.112  -6.780
  100    HZ2  TRP  14           HZ2      TRP  14   3.515   2.404  -7.767
  101    HZ3  TRP  14           HZ3      TRP  14   2.014   6.181  -9.048
  102    HH2  TRP  14           HH2      TRP  14   2.653   3.878  -9.531
  103    HB2  TRP  14           HB2      TRP  14   2.508   6.439  -2.843
  104    HB3  TRP  14           HB1      TRP  14   2.323   7.346  -4.337
  105    H    ASP  15           HN       ASP  15   6.291   6.222  -4.209
  106    HA   ASP  15           HA       ASP  15   6.475   7.645  -6.785
  107    HB2  ASP  15           HB2      ASP  15   8.386   8.250  -5.377
  108    HB3  ASP  15           HB1      ASP  15   8.738   6.548  -5.092
  109    HA   PRO  16           HA       PRO  16   5.438   3.826  -8.637
  110    HB2  PRO  16           HB2      PRO  16   7.017   4.136 -10.929
  111    HB3  PRO  16           HB1      PRO  16   5.349   4.676 -10.718
  112    HG2  PRO  16           HG2      PRO  16   7.890   6.211 -10.458
  113    HG3  PRO  16           HG1      PRO  16   6.316   6.736 -11.084
  114    HD2  PRO  16           HD2      PRO  16   7.153   7.474  -8.653
  115    HD3  PRO  16           HD1      PRO  16   5.447   7.079  -8.958
  116    H    GLN  17           HN       GLN  17   8.859   4.636  -8.244
  117    HA   GLN  17           HA       GLN  17   9.482   1.779  -8.538
  118    HB2  GLN  17           HB2      GLN  17  10.811   3.255  -9.945
  119    HB3  GLN  17           HB1      GLN  17  11.372   4.127  -8.524
  120    HG2  GLN  17           HG2      GLN  17  12.387   2.024  -7.697
  121    HG3  GLN  17           HG1      GLN  17  11.914   1.245  -9.206
  122   HE21  GLN  17          HE21      GLN  17  14.041   3.514  -7.690
  123   HE22  GLN  17          HE22      GLN  17  15.142   3.687  -9.015
  124    H    ASN  18           HN       ASN  18  10.194   4.555  -6.412
  125    HA   ASN  18           HA       ASN  18  11.552   2.896  -4.502
  126    HB2  ASN  18           HB2      ASN  18  10.717   5.786  -4.464
  127    HB3  ASN  18           HB1      ASN  18  11.470   5.005  -3.080
  128   HD21  ASN  18          HD21      ASN  18  13.255   6.343  -3.163
  129   HD22  ASN  18          HD22      ASN  18  14.463   6.199  -4.395
  130    H    GLY  19           HN       GLY  19   8.288   3.757  -5.012
  131    HA2  GLY  19           HA2      GLY  19   6.503   2.650  -3.999
  132    HA3  GLY  19           HA1      GLY  19   7.575   2.161  -2.696
  133    H    PHE  20           HN       PHE  20   5.929   2.758  -1.242
  134    HA   PHE  20           HA       PHE  20   5.065   5.500  -1.047
  135    HD1  PHE  20           HD2      PHE  20   2.256   5.628  -0.312
  136    HD2  PHE  20           HD1      PHE  20   3.693   1.647  -0.773
  137    HE1  PHE  20           HE2      PHE  20   0.248   5.052  -1.607
  138    HE2  PHE  20           HE1      PHE  20   1.686   1.069  -2.067
  139    HZ   PHE  20           HZ       PHE  20  -0.040   2.773  -2.483
  140    HB2  PHE  20           HB2      PHE  20   4.710   3.121   0.791
  141    HB3  PHE  20           HB1      PHE  20   4.043   4.715   1.123
  142    H    ASP  21           HN       ASP  21   5.847   7.057   0.315
  143    HA   ASP  21           HA       ASP  21   8.426   6.640   1.490
  144    HB2  ASP  21           HB2      ASP  21   7.702   8.843   0.565
  145    HB3  ASP  21           HB1      ASP  21   6.552   8.980   1.892
  146    H    VAL  22           HN       VAL  22   8.610   5.414   3.226
  147    HA   VAL  22           HA       VAL  22   6.373   4.900   4.934
  148    HB   VAL  22           HB       VAL  22   7.963   3.441   6.183
  149   HG11  VAL  22          HG11      VAL  22   8.172   1.794   4.377
  150   HG12  VAL  22          HG12      VAL  22   7.823   3.055   3.195
  151   HG13  VAL  22          HG13      VAL  22   6.593   2.578   4.365
  152   HG21  VAL  22          HG21      VAL  22  10.157   2.998   5.247
  153   HG22  VAL  22          HG22      VAL  22  10.026   4.699   5.700
  154   HG23  VAL  22          HG23      VAL  22   9.897   4.222   4.004
  155    H    ASN  23           HN       ASN  23   8.530   7.406   4.929
  156    HA   ASN  23           HA       ASN  23   8.544   7.722   7.827
  157    HB2  ASN  23           HB2      ASN  23  10.587   8.396   6.769
  158    HB3  ASN  23           HB1      ASN  23   9.727   9.384   5.593
  159   HD21  ASN  23          HD21      ASN  23   9.259  11.450   6.075
  160   HD22  ASN  23          HD22      ASN  23   9.608  12.210   7.592
  161    H    ASN  24           HN       ASN  24   6.957   8.963   4.966
  162    HA   ASN  24           HA       ASN  24   5.277  10.665   6.696
  163    HB2  ASN  24           HB2      ASN  24   6.065  10.959   3.806
  164    HB3  ASN  24           HB1      ASN  24   4.667  11.799   4.469
  165   HD21  ASN  24          HD21      ASN  24   5.944  12.130   7.097
  166   HD22  ASN  24          HD22      ASN  24   7.123  13.380   6.891
  167    H    LEU  25           HN       LEU  25   4.911   7.823   6.294
  168    HA   LEU  25           HA       LEU  25   2.684   7.398   4.583
  169    HG   LEU  25           HG       LEU  25   4.847   5.556   4.603
  170    HB2  LEU  25           HB2      LEU  25   3.903   5.892   6.863
  171    HB3  LEU  25           HB1      LEU  25   2.329   5.413   6.259
  172   HD11  LEU  25          HD11      LEU  25   3.381   3.198   5.774
  173   HD12  LEU  25          HD12      LEU  25   4.968   3.789   6.266
  174   HD13  LEU  25          HD13      LEU  25   4.740   3.108   4.656
  175   HD21  LEU  25          HD21      LEU  25   2.780   5.936   3.329
  176   HD22  LEU  25          HD22      LEU  25   2.127   4.423   3.963
  177   HD23  LEU  25          HD23      LEU  25   3.546   4.402   2.915
  178    H    ASP  26           HN       ASP  26   0.676   8.072   4.826
  179    HA   ASP  26           HA       ASP  26  -0.259   9.464   7.080
  180    HB2  ASP  26           HB2      ASP  26  -1.537   8.363   4.612
  181    HB3  ASP  26           HB1      ASP  26  -2.569   8.921   5.925
  182    HA   PRO  27           HA       PRO  27  -1.187   6.634  10.242
  183    HB2  PRO  27           HB2      PRO  27  -3.899   7.902  10.138
  184    HB3  PRO  27           HB1      PRO  27  -2.874   7.559  11.537
  185    HG2  PRO  27           HG2      PRO  27  -3.020  10.017  10.514
  186    HG3  PRO  27           HG1      PRO  27  -1.495   9.369  11.142
  187    HD2  PRO  27           HD2      PRO  27  -2.321   9.870   8.349
  188    HD3  PRO  27           HD1      PRO  27  -0.695   9.801   9.054
  189    H    ASP  28           HN       ASP  28  -4.018   7.038   8.098
  190    HA   ASP  28           HA       ASP  28  -5.109   4.512   8.709
  191    HB2  ASP  28           HB2      ASP  28  -6.384   4.963   6.461
  192    HB3  ASP  28           HB1      ASP  28  -6.717   5.939   7.886
  193    H    LEU  29           HN       LEU  29  -3.328   5.606   5.806
  194    HA   LEU  29           HA       LEU  29  -3.154   3.157   4.508
  195    HG   LEU  29           HG       LEU  29  -3.162   6.207   3.785
  196    HB2  LEU  29           HB2      LEU  29  -1.045   5.308   4.676
  197    HB3  LEU  29           HB1      LEU  29  -1.095   4.029   3.480
  198   HD11  LEU  29          HD11      LEU  29  -2.205   7.008   1.646
  199   HD12  LEU  29          HD12      LEU  29  -0.908   5.819   1.819
  200   HD13  LEU  29          HD13      LEU  29  -1.088   7.118   3.004
  201   HD21  LEU  29          HD21      LEU  29  -2.826   4.072   1.673
  202   HD22  LEU  29          HD22      LEU  29  -4.017   5.373   1.647
  203   HD23  LEU  29          HD23      LEU  29  -4.097   4.129   2.896
  204    H    ARG  30           HN       ARG  30  -1.037   4.539   6.975
  205    HA   ARG  30           HA       ARG  30   0.893   2.503   7.003
  206    HE   ARG  30           HE       ARG  30   3.883   1.507  10.338
  207    HB2  ARG  30           HB2      ARG  30   0.894   4.882   8.024
  208    HB3  ARG  30           HB1      ARG  30   0.184   4.113   9.432
  209    HG2  ARG  30           HG2      ARG  30   2.698   3.008   8.277
  210    HG3  ARG  30           HG1      ARG  30   2.761   4.475   9.252
  211    HD2  ARG  30           HD2      ARG  30   1.701   3.303  11.106
  212    HD3  ARG  30           HD1      ARG  30   1.579   1.840  10.125
  213   HH11  ARG  30          HH11      ARG  30   2.864   4.456  11.939
  214   HH12  ARG  30          HH12      ARG  30   4.354   4.645  12.811
  215   HH21  ARG  30          HH21      ARG  30   5.837   1.764  11.495
  216   HH22  ARG  30          HH22      ARG  30   6.031   3.118  12.564
  217    H    SER  31           HN       SER  31  -2.151   2.899   8.698
  218    HA   SER  31           HA       SER  31  -1.938   0.649  10.407
  219    HG   SER  31           HG       SER  31  -3.789   0.647  11.791
  220    HB2  SER  31           HB2      SER  31  -3.627   2.608  10.509
  221    HB3  SER  31           HB1      SER  31  -4.514   1.739   9.268
  222    H    LEU  32           HN       LEU  32  -3.484   1.170   7.271
  223    HA   LEU  32           HA       LEU  32  -4.660  -1.319   6.932
  224    HG   LEU  32           HG       LEU  32  -3.905  -1.604   3.899
  225    HB2  LEU  32           HB2      LEU  32  -5.259   0.533   5.541
  226    HB3  LEU  32           HB1      LEU  32  -3.627   0.665   4.917
  227   HD11  LEU  32          HD11      LEU  32  -6.149  -2.488   3.667
  228   HD12  LEU  32          HD12      LEU  32  -6.780  -1.183   4.672
  229   HD13  LEU  32          HD13      LEU  32  -5.686  -2.382   5.364
  230   HD21  LEU  32          HD21      LEU  32  -6.023   0.275   2.942
  231   HD22  LEU  32          HD22      LEU  32  -5.030  -0.835   1.993
  232   HD23  LEU  32          HD23      LEU  32  -4.307   0.606   2.716
  233    H    PHE  33           HN       PHE  33  -1.583  -0.162   5.601
  234    HA   PHE  33           HA       PHE  33  -1.092  -2.443   4.053
  235    HD1  PHE  33           HD2      PHE  33  -1.583  -1.266   2.562
  236    HD2  PHE  33           HD1      PHE  33   1.351   1.541   3.875
  237    HE1  PHE  33           HE2      PHE  33  -2.436   0.378   0.946
  238    HE2  PHE  33           HE1      PHE  33   0.488   3.185   2.267
  239    HZ   PHE  33           HZ       PHE  33  -1.314   2.590   0.746
  240    HB2  PHE  33           HB2      PHE  33   0.896  -0.446   5.150
  241    HB3  PHE  33           HB1      PHE  33   1.208  -1.584   3.846
  242    H    SER  34           HN       SER  34  -0.145  -1.616   7.322
  243    HA   SER  34           HA       SER  34   1.572  -3.802   7.759
  244    HG   SER  34           HG       SER  34   0.775  -3.555  11.083
  245    HB2  SER  34           HB2      SER  34   1.587  -1.806   9.148
  246    HB3  SER  34           HB1      SER  34  -0.039  -2.170   9.722
  247    H    ARG  35           HN       ARG  35  -1.916  -3.366   8.166
  248    HA   ARG  35           HA       ARG  35  -2.427  -5.864   9.405
  249    HE   ARG  35           HE       ARG  35  -5.126  -2.141  11.424
  250    HB2  ARG  35           HB2      ARG  35  -4.218  -4.149   7.696
  251    HB3  ARG  35           HB1      ARG  35  -4.755  -5.565   8.584
  252    HG2  ARG  35           HG2      ARG  35  -4.181  -4.511  10.669
  253    HG3  ARG  35           HG1      ARG  35  -3.554  -3.116   9.795
  254    HD2  ARG  35           HD2      ARG  35  -5.817  -2.794   8.809
  255    HD3  ARG  35           HD1      ARG  35  -6.400  -4.098   9.841
  256   HH11  ARG  35          HH11      ARG  35  -8.051  -2.734   9.583
  257   HH12  ARG  35          HH12      ARG  35  -8.986  -1.563  10.465
  258   HH21  ARG  35          HH21      ARG  35  -6.384  -0.607  12.604
  259   HH22  ARG  35          HH22      ARG  35  -8.042  -0.338  12.153
  260    H    ALA  36           HN       ALA  36  -2.224  -4.754   6.111
  261    HA   ALA  36           HA       ALA  36  -3.363  -7.039   4.876
  262    HB1  ALA  36           HB1      ALA  36  -2.808  -5.985   2.813
  263    HB2  ALA  36           HB2      ALA  36  -1.563  -5.003   3.584
  264    HB3  ALA  36           HB3      ALA  36  -3.263  -4.709   3.942
  265    H    GLY  37           HN       GLY  37  -0.329  -6.525   6.264
  266    HA2  GLY  37           HA2      GLY  37   1.215  -8.318   6.542
  267    HA3  GLY  37           HA1      GLY  37   0.664  -8.990   5.015
  268    H    ILE  38           HN       ILE  38   0.909  -5.821   4.449
  269    HA   ILE  38           HA       ILE  38   3.382  -6.074   3.019
  270    HB   ILE  38           HB       ILE  38   1.849  -3.520   3.441
  271   HG12  ILE  38          HG12      ILE  38   1.285  -5.499   1.241
  272   HG13  ILE  38          HG11      ILE  38   0.364  -5.481   2.740
  273   HG21  ILE  38          HG21      ILE  38   2.705  -3.025   1.192
  274   HG22  ILE  38          HG22      ILE  38   3.544  -4.576   1.185
  275   HG23  ILE  38          HG23      ILE  38   4.001  -3.331   2.347
  276   HD11  ILE  38          HD11      ILE  38  -0.792  -4.275   0.997
  277   HD12  ILE  38          HD12      ILE  38   0.604  -3.218   0.780
  278   HD13  ILE  38          HD13      ILE  38  -0.302  -3.181   2.291
  279    H    SER  39           HN       SER  39   5.143  -6.118   4.293
  280    HA   SER  39           HA       SER  39   5.533  -4.545   6.599
  281    HG   SER  39           HG       SER  39   8.203  -5.585   7.426
  282    HB2  SER  39           HB2      SER  39   6.804  -6.587   6.231
  283    HB3  SER  39           HB1      SER  39   7.538  -5.885   4.797
  284    H    GLU  40           HN       GLU  40   7.120  -2.748   6.829
  285    HA   GLU  40           HA       GLU  40   6.673  -0.635   5.093
  286    HB2  GLU  40           HB2      GLU  40   8.585  -1.200   7.263
  287    HB3  GLU  40           HB1      GLU  40   9.079   0.057   6.134
  288    HG2  GLU  40           HG2      GLU  40   7.077   1.308   6.575
  289    HG3  GLU  40           HG1      GLU  40   6.439   0.007   7.580
  290    H    ALA  41           HN       ALA  41   9.270  -3.022   5.046
  291    HA   ALA  41           HA       ALA  41  10.766  -1.879   2.952
  292    HB1  ALA  41           HB1      ALA  41  11.610  -3.665   4.414
  293    HB2  ALA  41           HB2      ALA  41  11.781  -4.068   2.705
  294    HB3  ALA  41           HB3      ALA  41  10.487  -4.797   3.658
  295    H    GLN  42           HN       GLN  42   8.048  -4.109   2.973
  296    HA   GLN  42           HA       GLN  42   8.060  -4.726   0.219
  297    HB2  GLN  42           HB2      GLN  42   6.887  -5.982   2.101
  298    HB3  GLN  42           HB1      GLN  42   5.639  -4.749   2.016
  299    HG2  GLN  42           HG2      GLN  42   5.188  -5.346  -0.296
  300    HG3  GLN  42           HG1      GLN  42   6.456  -6.568  -0.232
  301   HE21  GLN  42          HE21      GLN  42   5.820  -7.401   2.458
  302   HE22  GLN  42          HE22      GLN  42   4.347  -8.294   2.375
  303    H    LEU  43           HN       LEU  43   6.745  -2.083   2.076
  304    HA   LEU  43           HA       LEU  43   5.045  -1.037   0.047
  305    HG   LEU  43           HG       LEU  43   4.461  -1.390   2.920
  306    HB2  LEU  43           HB2      LEU  43   6.317   0.219   2.474
  307    HB3  LEU  43           HB1      LEU  43   5.244   1.094   1.394
  308   HD11  LEU  43          HD11      LEU  43   4.919   0.501   4.419
  309   HD12  LEU  43          HD12      LEU  43   3.199   0.114   4.359
  310   HD13  LEU  43          HD13      LEU  43   3.820   1.507   3.475
  311   HD21  LEU  43          HD21      LEU  43   2.836   0.612   1.353
  312   HD22  LEU  43          HD22      LEU  43   2.208  -0.780   2.233
  313   HD23  LEU  43          HD23      LEU  43   3.240  -1.021   0.823
  314    H    THR  44           HN       THR  44   8.419  -1.063   0.499
  315    HA   THR  44           HA       THR  44   8.762   1.100  -1.459
  316    HB   THR  44           HB       THR  44  11.171   1.094  -0.725
  317    HG1  THR  44           HG1      THR  44  10.321  -1.088   0.608
  318   HG21  THR  44          HG21      THR  44   9.110   1.622   1.428
  319   HG22  THR  44          HG22      THR  44   9.580   2.743   0.151
  320   HG23  THR  44          HG23      THR  44  10.747   2.281   1.391
  321    H    ASP  45           HN       ASP  45   8.249  -2.018  -1.599
  322    HA   ASP  45           HA       ASP  45  10.336  -2.700  -3.516
  323    HB2  ASP  45           HB2      ASP  45   8.005  -4.222  -2.368
  324    HB3  ASP  45           HB1      ASP  45   8.843  -4.808  -3.799
  325    H    ALA  46           HN       ALA  46  10.054  -2.798  -5.705
  326    HA   ALA  46           HA       ALA  46   8.544  -0.758  -6.796
  327    HB1  ALA  46           HB1      ALA  46   9.662  -3.148  -8.243
  328    HB2  ALA  46           HB2      ALA  46  10.567  -1.697  -7.800
  329    HB3  ALA  46           HB3      ALA  46   9.241  -1.592  -8.960
  330    H    GLU  47           HN       GLU  47   8.002  -4.211  -7.592
  331    HA   GLU  47           HA       GLU  47   5.616  -3.648  -8.994
  332    HB2  GLU  47           HB2      GLU  47   5.235  -6.127  -8.926
  333    HB3  GLU  47           HB1      GLU  47   6.791  -5.637  -9.578
  334    HG2  GLU  47           HG2      GLU  47   6.519  -6.380  -6.700
  335    HG3  GLU  47           HG1      GLU  47   6.670  -7.629  -7.937
  336    H    THR  48           HN       THR  48   6.257  -4.653  -5.706
  337    HA   THR  48           HA       THR  48   3.644  -5.260  -4.914
  338    HB   THR  48           HB       THR  48   5.770  -4.009  -3.172
  339    HG1  THR  48           HG1      THR  48   6.724  -5.955  -3.059
  340   HG21  THR  48          HG21      THR  48   3.504  -5.910  -2.557
  341   HG22  THR  48          HG22      THR  48   3.537  -4.189  -2.171
  342   HG23  THR  48          HG23      THR  48   4.678  -5.287  -1.393
  343    H    SER  49           HN       SER  49   5.491  -2.244  -4.549
  344    HA   SER  49           HA       SER  49   3.486  -0.843  -3.185
  345    HG   SER  49           HG       SER  49   5.249   1.281  -2.343
  346    HB2  SER  49           HB2      SER  49   5.998  -0.340  -3.405
  347    HB3  SER  49           HB1      SER  49   5.572   0.471  -4.912
  348    H    LYS  50           HN       LYS  50   4.290  -0.995  -6.629
  349    HA   LYS  50           HA       LYS  50   2.483   1.018  -7.443
  350    HB2  LYS  50           HB2      LYS  50   4.366   0.157  -8.834
  351    HB3  LYS  50           HB1      LYS  50   3.460  -1.335  -9.069
  352    HG2  LYS  50           HG2      LYS  50   1.643  -0.022 -10.111
  353    HG3  LYS  50           HG1      LYS  50   2.643   1.423  -9.958
  354    HD2  LYS  50           HD2      LYS  50   4.367   0.329 -11.354
  355    HD3  LYS  50           HD1      LYS  50   3.285  -1.048 -11.556
  356    HE2  LYS  50           HE2      LYS  50   1.604   0.471 -12.548
  357    HE3  LYS  50           HE1      LYS  50   2.776   1.782 -12.438
  358    HZ1  LYS  50           HZ1      LYS  50   2.843   0.896 -14.628
  359    HZ2  LYS  50           HZ2      LYS  50   3.004  -0.690 -14.059
  360    HZ3  LYS  50           HZ3      LYS  50   4.272   0.420 -13.846
  361    H    LEU  51           HN       LEU  51   2.154  -2.467  -7.023
  362    HA   LEU  51           HA       LEU  51  -0.483  -2.527  -8.121
  363    HG   LEU  51           HG       LEU  51   1.717  -4.240  -8.981
  364    HB2  LEU  51           HB2      LEU  51   1.145  -4.530  -6.592
  365    HB3  LEU  51           HB1      LEU  51  -0.522  -4.839  -7.043
  366   HD11  LEU  51          HD11      LEU  51   0.378  -6.818  -8.208
  367   HD12  LEU  51          HD12      LEU  51   2.085  -6.398  -8.060
  368   HD13  LEU  51          HD13      LEU  51   1.367  -6.616  -9.655
  369   HD21  LEU  51          HD21      LEU  51  -1.154  -5.039  -9.445
  370   HD22  LEU  51          HD22      LEU  51   0.086  -4.906 -10.694
  371   HD23  LEU  51          HD23      LEU  51  -0.430  -3.471  -9.806
  372    H    ILE  52           HN       ILE  52   0.850  -2.073  -4.898
  373    HA   ILE  52           HA       ILE  52  -1.590  -2.203  -3.499
  374    HB   ILE  52           HB       ILE  52   0.800  -0.440  -2.957
  375   HG12  ILE  52          HG12      ILE  52   0.024  -3.156  -1.883
  376   HG13  ILE  52          HG11      ILE  52   1.367  -2.814  -2.970
  377   HG21  ILE  52          HG21      ILE  52  -0.074  -0.314  -0.668
  378   HG22  ILE  52          HG22      ILE  52  -1.502  -1.218  -1.173
  379   HG23  ILE  52          HG23      ILE  52  -1.193   0.388  -1.840
  380   HD11  ILE  52          HD11      ILE  52   1.062  -2.094  -0.084
  381   HD12  ILE  52          HD12      ILE  52   2.250  -1.307  -1.125
  382   HD13  ILE  52          HD13      ILE  52   2.326  -3.051  -0.859
  383    H    TYR  53           HN       TYR  53   0.041   0.486  -5.168
  384    HA   TYR  53           HA       TYR  53  -1.971   2.385  -4.599
  385    HD1  TYR  53           HD2      TYR  53  -1.338   4.953  -4.652
  386    HD2  TYR  53           HD1      TYR  53  -1.030   3.527  -8.647
  387    HE1  TYR  53           HE2      TYR  53  -2.312   7.056  -5.468
  388    HE2  TYR  53           HE1      TYR  53  -2.000   5.633  -9.477
  389    HH   TYR  53           HH       TYR  53  -2.142   8.378  -7.743
  390    HB2  TYR  53           HB2      TYR  53   0.257   3.075  -5.363
  391    HB3  TYR  53           HB1      TYR  53  -0.035   2.318  -6.929
  392    H    ASP  54           HN       ASP  54  -1.404   0.249  -7.361
  393    HA   ASP  54           HA       ASP  54  -3.622   0.828  -8.927
  394    HB2  ASP  54           HB2      ASP  54  -1.956  -0.663  -9.760
  395    HB3  ASP  54           HB1      ASP  54  -2.136  -1.749  -8.387
  396    H    PHE  55           HN       PHE  55  -3.334  -1.090  -6.045
  397    HA   PHE  55           HA       PHE  55  -5.921  -2.208  -5.944
  398    HD1  PHE  55           HD1      PHE  55  -6.353  -4.244  -3.847
  399    HD2  PHE  55           HD2      PHE  55  -4.826  -0.735  -1.983
  400    HE1  PHE  55           HE1      PHE  55  -7.775  -4.669  -1.896
  401    HE2  PHE  55           HE2      PHE  55  -6.257  -1.156  -0.025
  402    HZ   PHE  55           HZ       PHE  55  -7.734  -3.128   0.024
  403    HB2  PHE  55           HB2      PHE  55  -4.266  -3.189  -4.580
  404    HB3  PHE  55           HB1      PHE  55  -3.773  -1.642  -3.911
  405    H    ILE  56           HN       ILE  56  -4.512   0.631  -4.343
  406    HA   ILE  56           HA       ILE  56  -6.802   1.521  -3.021
  407    HB   ILE  56           HB       ILE  56  -4.455   3.099  -4.086
  408   HG12  ILE  56          HG12      ILE  56  -5.046   2.002  -1.327
  409   HG13  ILE  56          HG11      ILE  56  -3.942   1.269  -2.485
  410   HG21  ILE  56          HG21      ILE  56  -6.484   3.914  -2.007
  411   HG22  ILE  56          HG22      ILE  56  -6.386   4.558  -3.645
  412   HG23  ILE  56          HG23      ILE  56  -5.069   4.842  -2.507
  413   HD11  ILE  56          HD11      ILE  56  -2.548   3.277  -2.398
  414   HD12  ILE  56          HD12      ILE  56  -2.729   2.510  -0.819
  415   HD13  ILE  56          HD13      ILE  56  -3.645   3.968  -1.203
  416    H    GLU  57           HN       GLU  57  -5.545   2.357  -6.212
  417    HA   GLU  57           HA       GLU  57  -7.510   4.088  -7.142
  418    HB2  GLU  57           HB2      GLU  57  -5.883   1.930  -8.496
  419    HB3  GLU  57           HB1      GLU  57  -6.936   2.999  -9.396
  420    HG2  GLU  57           HG2      GLU  57  -4.710   3.967  -7.632
  421    HG3  GLU  57           HG1      GLU  57  -4.510   3.626  -9.349
  422    H    ASP  58           HN       ASP  58  -7.370   0.561  -7.407
  423    HA   ASP  58           HA       ASP  58  -9.777   0.097  -8.709
  424    HB2  ASP  58           HB2      ASP  58  -8.158  -1.647  -8.568
  425    HB3  ASP  58           HB1      ASP  58  -8.175  -1.610  -6.810
  426    H    GLN  59           HN       GLN  59  -9.180   0.668  -5.304
  427    HA   GLN  59           HA       GLN  59 -11.781  -0.233  -4.483
  428    HB2  GLN  59           HB2      GLN  59  -9.715   1.369  -2.967
  429    HB3  GLN  59           HB1      GLN  59 -11.154   0.634  -2.270
  430    HG2  GLN  59           HG2      GLN  59  -8.844  -0.805  -3.551
  431    HG3  GLN  59           HG1      GLN  59  -9.224  -0.740  -1.830
  432   HE21  GLN  59          HE21      GLN  59  -9.030  -2.962  -3.819
  433   HE22  GLN  59          HE22      GLN  59 -10.515  -3.829  -3.662
  434    H    GLY  60           HN       GLY  60 -10.637   2.576  -5.935
  435    HA2  GLY  60           HA2      GLY  60 -12.460   4.068  -6.691
  436    HA3  GLY  60           HA1      GLY  60 -13.047   4.032  -5.035
  437    H    GLY  61           HN       GLY  61  -9.784   4.049  -4.813
  438    HA2  GLY  61           HA2      GLY  61  -8.306   5.982  -5.195
  439    HA3  GLY  61           HA1      GLY  61  -9.673   6.996  -4.772
  440    H    LEU  62           HN       LEU  62  -8.220   7.938  -3.129
  441    HA   LEU  62           HA       LEU  62  -7.050   6.146  -1.206
  442    HG   LEU  62           HG       LEU  62  -4.775   7.111  -1.535
  443    HB2  LEU  62           HB2      LEU  62  -7.027   9.126  -1.537
  444    HB3  LEU  62           HB1      LEU  62  -6.362   8.361  -0.107
  445   HD11  LEU  62          HD11      LEU  62  -6.086   7.066  -3.596
  446   HD12  LEU  62          HD12      LEU  62  -4.475   7.735  -3.865
  447   HD13  LEU  62          HD13      LEU  62  -5.873   8.808  -3.769
  448   HD21  LEU  62          HD21      LEU  62  -4.140   9.234  -0.516
  449   HD22  LEU  62          HD22      LEU  62  -4.723  10.089  -1.946
  450   HD23  LEU  62          HD23      LEU  62  -3.346   8.994  -2.074
  451    H    GLU  63           HN       GLU  63  -9.621   8.582  -1.169
  452    HA   GLU  63           HA       GLU  63 -10.127   8.574   1.590
  453    HB2  GLU  63           HB2      GLU  63 -12.007   9.115  -0.711
  454    HB3  GLU  63           HB1      GLU  63 -12.358   9.476   0.975
  455    HG2  GLU  63           HG2      GLU  63 -10.009  10.598  -0.510
  456    HG3  GLU  63           HG1      GLU  63 -11.572  11.401  -0.403
  457    H    ALA  64           HN       ALA  64 -11.358   6.556  -1.007
  458    HA   ALA  64           HA       ALA  64 -13.390   5.226   0.367
  459    HB1  ALA  64           HB1      ALA  64 -11.567   4.145  -1.782
  460    HB2  ALA  64           HB2      ALA  64 -13.064   5.040  -2.047
  461    HB3  ALA  64           HB3      ALA  64 -13.111   3.447  -1.290
  462    H    VAL  65           HN       VAL  65  -9.981   4.357  -0.039
  463    HA   VAL  65           HA       VAL  65 -10.039   1.929   1.344
  464    HB   VAL  65           HB       VAL  65  -7.750   3.867   0.982
  465   HG11  VAL  65          HG11      VAL  65  -7.698   0.946   1.719
  466   HG12  VAL  65          HG12      VAL  65  -7.295   2.292   2.785
  467   HG13  VAL  65          HG13      VAL  65  -6.290   1.953   1.376
  468   HG21  VAL  65          HG21      VAL  65  -8.569   1.447  -0.617
  469   HG22  VAL  65          HG22      VAL  65  -7.127   2.423  -0.892
  470   HG23  VAL  65          HG23      VAL  65  -8.726   3.130  -1.122
  471    H    ARG  66           HN       ARG  66  -9.481   5.217   2.454
  472    HA   ARG  66           HA       ARG  66  -8.687   4.670   5.087
  473    HE   ARG  66           HE       ARG  66  -7.426   8.733   5.693
  474    HB2  ARG  66           HB2      ARG  66 -10.282   7.035   4.083
  475    HB3  ARG  66           HB1      ARG  66  -9.333   6.975   5.563
  476    HG2  ARG  66           HG2      ARG  66  -7.288   6.788   4.281
  477    HG3  ARG  66           HG1      ARG  66  -8.211   6.735   2.778
  478    HD2  ARG  66           HD2      ARG  66  -7.371   8.959   3.061
  479    HD3  ARG  66           HD1      ARG  66  -9.114   8.986   3.324
  480   HH11  ARG  66          HH11      ARG  66  -9.268  10.870   3.584
  481   HH12  ARG  66          HH12      ARG  66  -9.486  12.078   4.815
  482   HH21  ARG  66          HH21      ARG  66  -7.675  10.373   7.278
  483   HH22  ARG  66          HH22      ARG  66  -8.571  11.816   6.891
  484    H    GLN  67           HN       GLN  67 -11.838   4.777   3.577
  485    HA   GLN  67           HA       GLN  67 -13.179   4.761   6.166
  486    HB2  GLN  67           HB2      GLN  67 -14.280   5.074   3.378
  487    HB3  GLN  67           HB1      GLN  67 -15.236   5.120   4.856
  488    HG2  GLN  67           HG2      GLN  67 -13.884   7.041   5.623
  489    HG3  GLN  67           HG1      GLN  67 -13.049   7.026   4.073
  490   HE21  GLN  67          HE21      GLN  67 -13.730   9.101   3.581
  491   HE22  GLN  67          HE22      GLN  67 -15.361   9.459   3.131
  492    H    GLU  68           HN       GLU  68 -12.355   2.604   3.592
  493    HA   GLU  68           HA       GLU  68 -14.355   0.679   3.796
  494    HB2  GLU  68           HB2      GLU  68 -11.405   0.183   3.344
  495    HB3  GLU  68           HB1      GLU  68 -12.693  -0.965   3.020
  496    HG2  GLU  68           HG2      GLU  68 -12.155   1.626   1.623
  497    HG3  GLU  68           HG1      GLU  68 -12.025  -0.001   0.964
  498    H    MET  69           HN       MET  69 -11.823   1.489   5.987
  499    HA   MET  69           HA       MET  69 -11.566  -0.855   7.479
  500    HB2  MET  69           HB2      MET  69 -11.368   2.027   8.334
  501    HB3  MET  69           HB1      MET  69 -10.917   0.667   9.357
  502    HG2  MET  69           HG2      MET  69  -9.339  -0.043   7.557
  503    HG3  MET  69           HG1      MET  69  -9.688   1.483   6.746
  504    HE1  MET  69           HE1      MET  69  -7.056   0.303   7.447
  505    HE2  MET  69           HE2      MET  69  -6.059   1.433   8.379
  506    HE3  MET  69           HE3      MET  69  -6.860   1.967   6.896
  507    H    ARG  70           HN       ARG  70 -14.123   1.476   7.366
  508    HA   ARG  70           HA       ARG  70 -15.584  -0.032   9.427
  509    HE   ARG  70           HE       ARG  70 -18.049   4.085   9.302
  510    HB2  ARG  70           HB2      ARG  70 -16.706   2.079  10.029
  511    HB3  ARG  70           HB1      ARG  70 -14.967   2.152  10.280
  512    HG2  ARG  70           HG2      ARG  70 -14.663   3.456   8.301
  513    HG3  ARG  70           HG1      ARG  70 -16.360   3.260   7.858
  514    HD2  ARG  70           HD2      ARG  70 -15.424   4.613  10.382
  515    HD3  ARG  70           HD1      ARG  70 -15.779   5.471   8.882
  516   HH11  ARG  70          HH11      ARG  70 -16.147   6.085  11.463
  517   HH12  ARG  70          HH12      ARG  70 -17.529   6.674  12.329
  518   HH21  ARG  70          HH21      ARG  70 -19.850   4.837  10.444
  519   HH22  ARG  70          HH22      ARG  70 -19.644   5.955  11.763
  520    H    ARG  71           HN       ARG  71 -15.405   0.023   6.347
  521    HA   ARG  71           HA       ARG  71 -18.266   0.453   5.809
  522    HE   ARG  71           HE       ARG  71 -19.162   0.854   1.002
  523    HB2  ARG  71           HB2      ARG  71 -16.945   2.262   4.838
  524    HB3  ARG  71           HB1      ARG  71 -15.938   1.097   3.998
  525    HG2  ARG  71           HG2      ARG  71 -18.846   0.968   3.485
  526    HG3  ARG  71           HG1      ARG  71 -17.969   2.352   2.825
  527    HD2  ARG  71           HD2      ARG  71 -16.452   0.900   1.657
  528    HD3  ARG  71           HD1      ARG  71 -17.150  -0.520   2.430
  529   HH11  ARG  71          HH11      ARG  71 -16.219  -0.948   0.406
  530   HH12  ARG  71          HH12      ARG  71 -16.819  -1.706  -1.043
  531   HH21  ARG  71          HH21      ARG  71 -19.957  -0.118  -0.932
  532   HH22  ARG  71          HH22      ARG  71 -18.948  -1.245  -1.801
  533    H    GLN  72           HN       GLN  72 -15.364  -1.089   4.501
  534    HA   GLN  72           HA       GLN  72 -16.877  -2.975   2.971
  535    HB2  GLN  72           HB2      GLN  72 -14.597  -2.128   2.341
  536    HB3  GLN  72           HB1      GLN  72 -13.937  -3.085   3.659
  537    HG2  GLN  72           HG2      GLN  72 -14.908  -5.108   2.592
  538    HG3  GLN  72           HG1      GLN  72 -15.371  -4.101   1.222
  539   HE21  GLN  72          HE21      GLN  72 -13.585  -6.381   1.327
  540   HE22  GLN  72          HE22      GLN  72 -12.063  -5.828   0.726
  541    H1   GLY  73           HT1      GLY  73 -15.671 -12.424   2.123
  542    H2   GLY  73           HT2      GLY  73 -16.497 -11.687   3.404
  543    H3   GLY  73           HT3      GLY  73 -15.767 -13.202   3.624
  544    HA2  GLY  73           HA1      GLY  73 -14.342 -10.656   3.084
  545    HA3  GLY  73           HA2      GLY  73 -14.445 -11.461   4.645
  546    H    HIS  74           HN       HIS  74 -12.027 -11.286   4.362
  547    HA   HIS  74           HA       HIS  74 -11.091 -13.749   3.055
  548    HD1  HIS  74           HD1      HIS  74 -10.819 -13.764   0.581
  549    HD2  HIS  74           HD2      HIS  74 -10.301  -9.642   0.891
  550    HE1  HIS  74           HE1      HIS  74 -11.656 -12.813  -1.589
  551    HE2  HIS  74           HE2      HIS  74 -11.589 -10.313  -1.265
  552    HB2  HIS  74           HB2      HIS  74  -9.618 -11.102   3.044
  553    HB3  HIS  74           HB1      HIS  74  -8.944 -12.629   2.497
  554    H    MET  75           HN       MET  75  -9.388 -11.274   4.954
  555    HA   MET  75           HA       MET  75  -9.068 -13.234   7.114
  556    HB2  MET  75           HB2      MET  75  -6.889 -11.479   5.982
  557    HB3  MET  75           HB1      MET  75  -6.734 -12.472   7.425
  558    HG2  MET  75           HG2      MET  75  -7.244 -13.482   4.634
  559    HG3  MET  75           HG1      MET  75  -5.701 -13.521   5.485
  560    HE1  MET  75           HE1      MET  75  -5.597 -16.145   4.884
  561    HE2  MET  75           HE2      MET  75  -7.186 -16.060   4.123
  562    HE3  MET  75           HE3      MET  75  -6.856 -17.294   5.340
  563    H    LEU  76           HN       LEU  76  -7.628 -10.085   6.832
  564    HA   LEU  76           HA       LEU  76  -8.492  -9.116   9.309
  565    HG   LEU  76           HG       LEU  76  -5.553  -7.154   8.263
  566    HB2  LEU  76           HB2      LEU  76  -7.281  -7.933   6.867
  567    HB3  LEU  76           HB1      LEU  76  -8.066  -6.822   7.974
  568   HD11  LEU  76          HD11      LEU  76  -6.964  -6.083   9.946
  569   HD12  LEU  76          HD12      LEU  76  -5.690  -7.046  10.692
  570   HD13  LEU  76          HD13      LEU  76  -7.341  -7.661  10.637
  571   HD21  LEU  76          HD21      LEU  76  -4.814  -9.077   9.520
  572   HD22  LEU  76          HD22      LEU  76  -5.585  -9.615   8.029
  573   HD23  LEU  76          HD23      LEU  76  -6.454  -9.725   9.557
  574    HA   PRO  77           HA       PRO  77 -12.656  -8.088   8.527
  575    HB2  PRO  77           HB2      PRO  77 -13.201  -6.512  10.599
  576    HB3  PRO  77           HB1      PRO  77 -12.698  -8.190  10.846
  577    HG2  PRO  77           HG2      PRO  77 -11.092  -5.678  11.077
  578    HG3  PRO  77           HG1      PRO  77 -11.102  -7.100  12.135
  579    HD2  PRO  77           HD2      PRO  77  -9.227  -6.619  10.150
  580    HD3  PRO  77           HD1      PRO  77  -9.606  -8.221  10.823
  581    H    ASP  78           HN       ASP  78 -10.651  -6.306   7.147
  582    HA   ASP  78           HA       ASP  78 -12.491  -4.190   6.491
  583    HB2  ASP  78           HB2      ASP  78 -11.007  -2.349   6.947
  584    HB3  ASP  78           HB1      ASP  78 -11.192  -3.280   8.428
  585    H    VAL  79           HN       VAL  79 -10.821  -2.599   5.030
  586    HA   VAL  79           HA       VAL  79 -10.668  -3.899   2.599
  587    HB   VAL  79           HB       VAL  79 -10.799  -1.546   2.574
  588   HG11  VAL  79          HG11      VAL  79  -9.255  -0.029   3.551
  589   HG12  VAL  79          HG12      VAL  79  -8.149  -1.340   3.972
  590   HG13  VAL  79          HG13      VAL  79  -9.709  -1.207   4.785
  591   HG21  VAL  79          HG21      VAL  79  -8.951  -0.824   1.176
  592   HG22  VAL  79          HG22      VAL  79  -9.457  -2.457   0.740
  593   HG23  VAL  79          HG23      VAL  79  -7.991  -2.212   1.694
  594    H    ALA  80           HN       ALA  80  -8.314  -3.856   5.170
  595    HA   ALA  80           HA       ALA  80  -5.958  -4.417   3.815
  596    HB1  ALA  80           HB1      ALA  80  -5.877  -3.932   6.120
  597    HB2  ALA  80           HB2      ALA  80  -5.252  -5.572   5.918
  598    HB3  ALA  80           HB3      ALA  80  -6.892  -5.323   6.526
  599    H    GLN  81           HN       GLN  81  -8.666  -6.526   4.392
  600    HA   GLN  81           HA       GLN  81  -7.298  -8.987   3.903
  601    HB2  GLN  81           HB2      GLN  81  -9.476  -9.987   3.824
  602    HB3  GLN  81           HB1      GLN  81  -9.553  -8.729   5.050
  603    HG2  GLN  81           HG2      GLN  81 -10.634  -7.228   3.463
  604    HG3  GLN  81           HG1      GLN  81 -10.529  -8.461   2.213
  605   HE21  GLN  81          HE21      GLN  81 -11.366  -8.990   5.591
  606   HE22  GLN  81          HE22      GLN  81 -13.000  -9.481   5.284
  607    H    ARG  82           HN       ARG  82  -8.775  -6.555   1.926
  608    HA   ARG  82           HA       ARG  82  -9.050  -8.162  -0.414
  609    HE   ARG  82           HE       ARG  82  -8.481  -7.687  -2.895
  610    HB2  ARG  82           HB2      ARG  82 -10.614  -6.397  -0.023
  611    HB3  ARG  82           HB1      ARG  82  -9.326  -5.230   0.222
  612    HG2  ARG  82           HG2      ARG  82 -10.277  -4.792  -1.880
  613    HG3  ARG  82           HG1      ARG  82  -8.705  -5.544  -2.137
  614    HD2  ARG  82           HD2      ARG  82 -11.014  -7.366  -2.032
  615    HD3  ARG  82           HD1      ARG  82 -10.944  -6.285  -3.423
  616   HH11  ARG  82          HH11      ARG  82 -11.573  -7.738  -4.533
  617   HH12  ARG  82          HH12      ARG  82 -11.071  -8.914  -5.713
  618   HH21  ARG  82          HH21      ARG  82  -7.804  -9.207  -4.501
  619   HH22  ARG  82          HH22      ARG  82  -8.930  -9.716  -5.715
  620    H    LEU  83           HN       LEU  83  -6.676  -6.230   1.086
  621    HA   LEU  83           HA       LEU  83  -5.082  -5.682  -1.225
  622    HG   LEU  83           HG       LEU  83  -4.592  -3.368  -0.381
  623    HB2  LEU  83           HB2      LEU  83  -5.099  -4.880   1.473
  624    HB3  LEU  83           HB1      LEU  83  -3.568  -5.691   1.222
  625   HD11  LEU  83          HD11      LEU  83  -2.263  -3.398   1.502
  626   HD12  LEU  83          HD12      LEU  83  -3.884  -2.885   1.974
  627   HD13  LEU  83          HD13      LEU  83  -3.016  -2.009   0.712
  628   HD21  LEU  83          HD21      LEU  83  -2.353  -3.336  -1.379
  629   HD22  LEU  83          HD22      LEU  83  -3.224  -4.827  -1.745
  630   HD23  LEU  83          HD23      LEU  83  -1.962  -4.822  -0.512
  631    H    MET  84           HN       MET  84  -5.006  -8.086   1.390
  632    HA   MET  84           HA       MET  84  -2.579  -9.312   0.834
  633    HB2  MET  84           HB2      MET  84  -5.147 -10.642   1.720
  634    HB3  MET  84           HB1      MET  84  -3.545 -11.356   1.829
  635    HG2  MET  84           HG2      MET  84  -2.858  -9.602   3.364
  636    HG3  MET  84           HG1      MET  84  -4.463  -8.876   3.254
  637    HE1  MET  84           HE1      MET  84  -3.016  -9.603   5.905
  638    HE2  MET  84           HE2      MET  84  -4.236 -10.443   6.861
  639    HE3  MET  84           HE3      MET  84  -4.667  -8.983   5.966
  640    H    GLN  85           HN       GLN  85  -5.772 -10.076  -0.452
  641    HA   GLN  85           HA       GLN  85  -4.950 -12.175  -2.144
  642    HB2  GLN  85           HB2      GLN  85  -7.337 -10.336  -2.449
  643    HB3  GLN  85           HB1      GLN  85  -7.138 -11.915  -3.196
  644    HG2  GLN  85           HG2      GLN  85  -7.202 -11.486  -0.224
  645    HG3  GLN  85           HG1      GLN  85  -8.628 -11.854  -1.191
  646   HE21  GLN  85          HE21      GLN  85  -5.606 -13.077   0.049
  647   HE22  GLN  85          HE22      GLN  85  -5.928 -14.744  -0.271
  648    H    HIS  86           HN       HIS  86  -5.470  -8.712  -2.726
  649    HA   HIS  86           HA       HIS  86  -5.335  -8.744  -5.508
  650    HD1  HIS  86           HD1      HIS  86  -6.808  -6.438  -6.635
  651    HD2  HIS  86           HD2      HIS  86  -3.069  -4.986  -5.515
  652    HE1  HIS  86           HE1      HIS  86  -6.143  -4.825  -8.438
  653    HE2  HIS  86           HE2      HIS  86  -3.898  -3.925  -7.739
  654    HB2  HIS  86           HB2      HIS  86  -6.134  -6.849  -4.108
  655    HB3  HIS  86           HB1      HIS  86  -4.465  -6.503  -3.675
  656    H    LEU  87           HN       LEU  87  -2.753  -8.618  -3.135
  657    HA   LEU  87           HA       LEU  87  -0.709  -8.100  -5.097
  658    HG   LEU  87           HG       LEU  87  -1.504  -6.742  -2.462
  659    HB2  LEU  87           HB2      LEU  87  -0.489  -9.015  -2.229
  660    HB3  LEU  87           HB1      LEU  87   0.845  -8.471  -3.230
  661   HD11  LEU  87          HD11      LEU  87   0.033  -5.673  -0.894
  662   HD12  LEU  87          HD12      LEU  87   1.271  -6.865  -1.297
  663   HD13  LEU  87          HD13      LEU  87  -0.217  -7.378  -0.499
  664   HD21  LEU  87          HD21      LEU  87  -0.367  -6.113  -4.552
  665   HD22  LEU  87          HD22      LEU  87   1.168  -6.056  -3.682
  666   HD23  LEU  87          HD23      LEU  87  -0.120  -4.920  -3.276
  667    H    ALA  88           HN       ALA  88  -1.636 -10.850  -3.073
  668    HA   ALA  88           HA       ALA  88   0.277 -12.662  -3.990
  669    HB1  ALA  88           HB1      ALA  88  -1.151 -14.387  -3.017
  670    HB2  ALA  88           HB2      ALA  88  -2.478 -13.225  -2.908
  671    HB3  ALA  88           HB3      ALA  88  -1.010 -12.983  -1.958
  672    H    GLU  89           HN       GLU  89  -2.701 -11.651  -5.471
  673    HA   GLU  89           HA       GLU  89  -3.151 -13.866  -7.150
  674    HB2  GLU  89           HB2      GLU  89  -3.901 -10.973  -7.488
  675    HB3  GLU  89           HB1      GLU  89  -4.433 -12.262  -8.554
  676    HG2  GLU  89           HG2      GLU  89  -5.599 -13.343  -6.755
  677    HG3  GLU  89           HG1      GLU  89  -4.985 -12.157  -5.605
  678    H    HIS  90           HN       HIS  90  -0.779 -11.349  -7.351
  679    HA   HIS  90           HA       HIS  90  -0.403 -11.930 -10.210
  680    HD1  HIS  90           HD1      HIS  90  -1.506 -10.268 -11.750
  681    HD2  HIS  90           HD2      HIS  90  -1.537  -7.879  -8.339
  682    HE1  HIS  90           HE1      HIS  90  -3.564  -8.842 -11.936
  683    HE2  HIS  90           HE2      HIS  90  -3.431  -7.244  -9.996
  684    HB2  HIS  90           HB2      HIS  90   0.536  -9.564  -8.586
  685    HB3  HIS  90           HB1      HIS  90   0.930  -9.827 -10.282
  686    H    GLY  91           HN       GLY  91   1.895 -10.836  -7.700
  687    HA2  GLY  91           HA2      GLY  91   3.381 -13.095  -7.329
  688    HA3  GLY  91           HA1      GLY  91   3.962 -12.465  -8.861
  689    H    ILE  92           HN       ILE  92   2.933 -10.748  -5.955
  690    HA   ILE  92           HA       ILE  92   4.982  -8.863  -6.020
  691    HB   ILE  92           HB       ILE  92   2.922  -9.711  -4.050
  692   HG12  ILE  92          HG12      ILE  92   2.468  -7.225  -4.175
  693   HG13  ILE  92          HG11      ILE  92   3.735  -7.157  -5.391
  694   HG21  ILE  92          HG21      ILE  92   3.704  -8.198  -2.323
  695   HG22  ILE  92          HG22      ILE  92   5.149  -7.837  -3.267
  696   HG23  ILE  92          HG23      ILE  92   4.901  -9.458  -2.623
  697   HD11  ILE  92          HD11      ILE  92   1.222  -8.774  -5.601
  698   HD12  ILE  92          HD12      ILE  92   2.490  -8.648  -6.821
  699   HD13  ILE  92          HD13      ILE  92   1.530  -7.231  -6.394
  700    H    GLN  93           HN       GLN  93   6.974  -8.785  -5.260
  701    HA   GLN  93           HA       GLN  93   8.096 -11.042  -3.794
  702    HB2  GLN  93           HB2      GLN  93   9.405  -8.494  -4.790
  703    HB3  GLN  93           HB1      GLN  93  10.242  -9.878  -4.098
  704    HG2  GLN  93           HG2      GLN  93   9.423 -11.266  -5.968
  705    HG3  GLN  93           HG1      GLN  93   8.694  -9.826  -6.680
  706   HE21  GLN  93          HE21      GLN  93  10.015  -8.266  -7.631
  707   HE22  GLN  93          HE22      GLN  93  11.692  -8.574  -7.964
  708    HA   PRO  94           HA       PRO  94   6.610  -8.498  -0.478
  709    HB2  PRO  94           HB2      PRO  94   6.306 -10.406   1.380
  710    HB3  PRO  94           HB1      PRO  94   5.256 -10.294  -0.035
  711    HG2  PRO  94           HG2      PRO  94   7.505 -12.166   0.514
  712    HG3  PRO  94           HG1      PRO  94   5.989 -12.453  -0.357
  713    HD2  PRO  94           HD2      PRO  94   8.482 -11.928  -1.518
  714    HD3  PRO  94           HD1      PRO  94   6.910 -11.838  -2.336
  715    H    ALA  95           HN       ALA  95   8.254  -7.153   0.118
  716    HA   ALA  95           HA       ALA  95   9.298  -6.129   1.813
  717    HB1  ALA  95           HB1      ALA  95   8.687  -8.540   3.475
  718    HB2  ALA  95           HB2      ALA  95   7.587  -7.194   3.194
  719    HB3  ALA  95           HB3      ALA  95   9.103  -6.928   4.054
  720    H    ARG  96           HN       ARG  96  10.219  -9.454   2.308
  721    HA   ARG  96           HA       ARG  96  12.218 -10.488   2.635
  722    HE   ARG  96           HE       ARG  96  13.494 -11.247  -1.588
  723    HB2  ARG  96           HB2      ARG  96  13.343  -7.892   1.599
  724    HB3  ARG  96           HB1      ARG  96  14.377  -9.180   2.204
  725    HG2  ARG  96           HG2      ARG  96  12.399  -9.485  -0.046
  726    HG3  ARG  96           HG1      ARG  96  14.127  -9.192  -0.250
  727    HD2  ARG  96           HD2      ARG  96  14.637 -11.269   0.903
  728    HD3  ARG  96           HD1      ARG  96  12.922 -11.554   1.189
  729   HH11  ARG  96          HH11      ARG  96  13.704 -13.507   1.082
  730   HH12  ARG  96          HH12      ARG  96  13.580 -14.921   0.070
  731   HH21  ARG  96          HH21      ARG  96  13.322 -13.101  -2.933
  732   HH22  ARG  96          HH22      ARG  96  13.345 -14.684  -2.216
  733    H    ASN  97           HN       ASN  97  11.304  -7.581   4.095
  734    HA   ASN  97           HA       ASN  97  11.209  -6.976   6.261
  735    HB2  ASN  97           HB2      ASN  97  10.900  -9.306   6.818
  736    HB3  ASN  97           HB1      ASN  97  12.636  -9.513   6.830
  737   HD21  ASN  97          HD21      ASN  97   9.933  -8.073   8.464
  738   HD22  ASN  97          HD22      ASN  97  10.737  -7.784   9.968
  739    H    MET  98           HN       MET  98  14.357  -8.206   5.304
  740    HA   MET  98           HA       MET  98  15.844  -6.524   7.057
  741    HB2  MET  98           HB2      MET  98  16.752  -7.795   4.465
  742    HB3  MET  98           HB1      MET  98  17.781  -7.223   5.774
  743    HG2  MET  98           HG2      MET  98  15.862  -9.538   5.874
  744    HG3  MET  98           HG1      MET  98  17.624  -9.621   5.843
  745    HE1  MET  98           HE1      MET  98  17.261 -11.302   7.975
  746    HE2  MET  98           HE2      MET  98  15.528 -10.970   7.987
  747    HE3  MET  98           HE3      MET  98  16.472 -10.795   9.467
  748    H    ALA  99           HN       ALA  99  17.051  -4.635   6.509
  749    HA   ALA  99           HA       ALA  99  15.582  -2.934   4.689
  750    HB1  ALA  99           HB1      ALA  99  16.236  -2.116   6.913
  751    HB2  ALA  99           HB2      ALA  99  16.885  -1.112   5.618
  752    HB3  ALA  99           HB3      ALA  99  17.932  -2.259   6.455
  753    H    GLU 100           HN       GLU 100  16.479  -4.581   2.995
  754    HA   GLU 100           HA       GLU 100  19.101  -4.048   1.997
  755    HB2  GLU 100           HB2      GLU 100  16.721  -5.265   0.585
  756    HB3  GLU 100           HB1      GLU 100  18.388  -5.317   0.024
  757    HG2  GLU 100           HG2      GLU 100  18.999  -6.598   2.035
  758    HG3  GLU 100           HG1      GLU 100  17.305  -6.591   2.525
  759    H    HIS 101           HN       HIS 101  15.978  -2.614   1.646
  760    HA   HIS 101           HA       HIS 101  16.805  -0.819  -0.473
  761    HD1  HIS 101           HD1      HIS 101  12.556  -1.889   1.344
  762    HD2  HIS 101           HD2      HIS 101  14.919  -2.346  -2.040
  763    HE1  HIS 101           HE1      HIS 101  11.512  -3.771   0.059
  764    HE2  HIS 101           HE2      HIS 101  12.836  -3.899  -2.077
  765    HB2  HIS 101           HB2      HIS 101  14.466  -0.391   1.396
  766    HB3  HIS 101           HB1      HIS 101  14.684   0.255  -0.222
  767    H    ILE 102           HN       ILE 102  18.353   0.626   0.022
  768    HA   ILE 102           HA       ILE 102  19.114   1.122   2.700
  769    HB   ILE 102           HB       ILE 102  20.671   2.815   1.757
  770   HG12  ILE 102          HG12      ILE 102  19.497   1.975  -0.909
  771   HG13  ILE 102          HG11      ILE 102  19.237   3.539  -0.144
  772   HG21  ILE 102          HG21      ILE 102  20.624   0.114   0.421
  773   HG22  ILE 102          HG22      ILE 102  21.348   0.508   1.980
  774   HG23  ILE 102          HG23      ILE 102  22.024   1.183   0.498
  775   HD11  ILE 102          HD11      ILE 102  20.926   3.658  -1.886
  776   HD12  ILE 102          HD12      ILE 102  21.889   2.446  -1.041
  777   HD13  ILE 102          HD13      ILE 102  21.614   4.024  -0.302
  778    HA   PRO 103           HA       PRO 103  16.174   4.332   3.699
  779    HB2  PRO 103           HB2      PRO 103  17.967   4.630   6.035
  780    HB3  PRO 103           HB1      PRO 103  16.230   4.312   5.983
  781    HG2  PRO 103           HG2      PRO 103  17.963   2.397   6.672
  782    HG3  PRO 103           HG1      PRO 103  16.518   2.033   5.709
  783    HD2  PRO 103           HD2      PRO 103  19.362   2.335   4.820
  784    HD3  PRO 103           HD1      PRO 103  18.136   1.157   4.304
  785    HA   PRO 104           HA       PRO 104  18.575   7.673   1.949
  786    HB2  PRO 104           HB2      PRO 104  16.638   9.589   2.409
  787    HB3  PRO 104           HB1      PRO 104  16.693   8.530   0.997
  788    HG2  PRO 104           HG2      PRO 104  15.090   8.264   3.505
  789    HG3  PRO 104           HG1      PRO 104  14.612   7.940   1.827
  790    HD2  PRO 104           HD2      PRO 104  15.230   5.949   3.504
  791    HD3  PRO 104           HD1      PRO 104  15.686   5.882   1.788
  792    H    ALA 105           HN       ALA 105  19.711   9.435   2.680
  793    HA   ALA 105           HA       ALA 105  20.375   9.553   5.397
  794    HB1  ALA 105           HB1      ALA 105  21.893  10.274   3.616
  795    HB2  ALA 105           HB2      ALA 105  21.670  11.537   4.826
  796    HB3  ALA 105           HB3      ALA 105  20.840  11.648   3.275
  797    HA   PRO 106           HA       PRO 106  16.851  11.784   6.905
  798    HB2  PRO 106           HB2      PRO 106  17.861  12.302   9.401
  799    HB3  PRO 106           HB1      PRO 106  17.145  10.760   8.924
  800    HG2  PRO 106           HG2      PRO 106  20.024  11.539   9.096
  801    HG3  PRO 106           HG1      PRO 106  19.241  10.022   9.578
  802    HD2  PRO 106           HD2      PRO 106  20.624  10.257   7.274
  803    HD3  PRO 106           HD1      PRO 106  19.192   9.215   7.414
  804    H    ASN 107           HN       ASN 107  16.321  13.823   6.580
  805    HA   ASN 107           HA       ASN 107  18.375  15.876   6.486
  806    HB2  ASN 107           HB2      ASN 107  16.610  17.293   5.510
  807    HB3  ASN 107           HB1      ASN 107  16.767  15.769   4.647
  808   HD21  ASN 107          HD21      ASN 107  14.744  17.754   6.606
  809   HD22  ASN 107          HD22      ASN 107  13.319  16.769   6.513
  810    H    TRP 108           HN       TRP 108  17.515  14.703   9.034
  811    HA   TRP 108           HA       TRP 108  16.316  17.054  10.324
  812    HD1  TRP 108           HD1      TRP 108  14.297  17.463  11.794
  813    HE1  TRP 108           HE1      TRP 108  13.661  17.657  14.282
  814    HE3  TRP 108           HE3      TRP 108  16.502  13.187  13.522
  815    HZ2  TRP 108           HZ2      TRP 108  14.037  16.180  16.654
  816    HZ3  TRP 108           HZ3      TRP 108  16.309  12.646  15.914
  817    HH2  TRP 108           HH2      TRP 108  15.101  14.113  17.448
  818    HB2  TRP 108           HB2      TRP 108  15.029  14.905  10.467
  819    HB3  TRP 108           HB1      TRP 108  16.381  14.205  11.350
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -10.537  21.488  -0.907
    2    H2   GLY   1           HT2      GLY   1 -11.783  22.568  -1.304
    3    H3   GLY   1           HT3      GLY   1 -10.169  23.076  -1.370
    4    HA2  GLY   1           HA1      GLY   1 -11.089  22.641  -3.584
    5    HA3  GLY   1           HA2      GLY   1  -9.695  21.641  -3.195
    6    H    HIS   2           HN       HIS   2 -12.608  21.546  -4.616
    7    HA   HIS   2           HA       HIS   2 -13.337  18.909  -3.584
    8    HD1  HIS   2           HD1      HIS   2 -15.203  22.749  -4.095
    9    HD2  HIS   2           HD2      HIS   2 -14.978  20.512  -7.597
   10    HE1  HIS   2           HE1      HIS   2 -15.525  24.394  -5.976
   11    HE2  HIS   2           HE2      HIS   2 -15.313  23.033  -8.092
   12    HB2  HIS   2           HB2      HIS   2 -15.380  19.202  -5.079
   13    HB3  HIS   2           HB1      HIS   2 -15.259  20.258  -3.682
   14    H    MET   3           HN       MET   3 -12.023  17.442  -4.447
   15    HA   MET   3           HA       MET   3 -11.612  17.435  -7.348
   16    HB2  MET   3           HB2      MET   3 -10.401  15.729  -5.160
   17    HB3  MET   3           HB1      MET   3 -10.034  15.556  -6.869
   18    HG2  MET   3           HG2      MET   3  -9.136  17.829  -6.903
   19    HG3  MET   3           HG1      MET   3  -9.499  17.994  -5.185
   20    HE1  MET   3           HE1      MET   3  -6.985  18.749  -4.817
   21    HE2  MET   3           HE2      MET   3  -6.594  18.500  -6.519
   22    HE3  MET   3           HE3      MET   3  -5.583  17.779  -5.267
   23    H    SER   4           HN       SER   4 -12.190  14.911  -4.930
   24    HA   SER   4           HA       SER   4 -14.672  14.012  -5.668
   25    HG   SER   4           HG       SER   4 -11.979  12.918  -8.312
   26    HB2  SER   4           HB2      SER   4 -14.069  11.969  -7.048
   27    HB3  SER   4           HB1      SER   4 -13.945  13.510  -7.897
   28    H    GLY   5           HN       GLY   5 -11.397  13.051  -4.842
   29    HA2  GLY   5           HA2      GLY   5 -10.908  12.000  -2.714
   30    HA3  GLY   5           HA1      GLY   5 -12.472  11.194  -2.813
   31    H    PHE   6           HN       PHE   6 -11.893  10.915  -5.768
   32    HA   PHE   6           HA       PHE   6 -10.701   8.299  -5.649
   33    HD1  PHE   6           HD2      PHE   6 -11.455   6.327  -7.171
   34    HD2  PHE   6           HD1      PHE   6 -10.754   9.485  -9.934
   35    HE1  PHE   6           HE2      PHE   6 -10.609   4.700  -8.807
   36    HE2  PHE   6           HE1      PHE   6  -9.902   7.861 -11.575
   37    HZ   PHE   6           HZ       PHE   6  -9.886   5.494 -11.068
   38    HB2  PHE   6           HB2      PHE   6 -12.626   8.648  -7.078
   39    HB3  PHE   6           HB1      PHE   6 -11.807   9.950  -7.932
   40    H    LYS   7           HN       LYS   7  -8.578   8.551  -5.147
   41    HA   LYS   7           HA       LYS   7  -6.348   8.759  -5.525
   42    HB2  LYS   7           HB2      LYS   7  -6.850   7.945  -7.802
   43    HB3  LYS   7           HB1      LYS   7  -7.162   9.594  -8.319
   44    HG2  LYS   7           HG2      LYS   7  -4.793  10.137  -7.703
   45    HG3  LYS   7           HG1      LYS   7  -4.537   8.410  -7.453
   46    HD2  LYS   7           HD2      LYS   7  -3.798   9.059  -9.671
   47    HD3  LYS   7           HD1      LYS   7  -5.200   7.991  -9.784
   48    HE2  LYS   7           HE2      LYS   7  -6.651   9.931 -10.122
   49    HE3  LYS   7           HE1      LYS   7  -5.258  11.002  -9.986
   50    HZ1  LYS   7           HZ1      LYS   7  -5.856  10.608 -12.290
   51    HZ2  LYS   7           HZ2      LYS   7  -5.654   8.939 -12.090
   52    HZ3  LYS   7           HZ3      LYS   7  -4.317   9.978 -11.959
   53    H    HIS   8           HN       HIS   8  -4.665  10.395  -5.724
   54    HA   HIS   8           HA       HIS   8  -5.650  13.136  -5.955
   55    HD1  HIS   8           HD1      HIS   8  -6.439  14.980  -4.009
   56    HD2  HIS   8           HD2      HIS   8  -6.282  11.264  -2.146
   57    HE1  HIS   8           HE1      HIS   8  -8.474  14.873  -2.543
   58    HE2  HIS   8           HE2      HIS   8  -8.437  12.568  -1.518
   59    HB2  HIS   8           HB2      HIS   8  -4.103  11.992  -3.642
   60    HB3  HIS   8           HB1      HIS   8  -4.025  13.708  -4.034
   61    H    VAL   9           HN       VAL   9  -3.679  14.684  -6.108
   62    HA   VAL   9           HA       VAL   9  -2.492  13.630  -8.539
   63    HB   VAL   9           HB       VAL   9  -1.998  15.989  -9.075
   64   HG11  VAL   9          HG11      VAL   9  -4.317  16.679  -9.434
   65   HG12  VAL   9          HG12      VAL   9  -4.858  15.446  -8.297
   66   HG13  VAL   9          HG13      VAL   9  -4.080  14.973  -9.807
   67   HG21  VAL   9          HG21      VAL   9  -2.940  17.781  -7.690
   68   HG22  VAL   9          HG22      VAL   9  -1.709  16.861  -6.824
   69   HG23  VAL   9          HG23      VAL   9  -3.416  16.586  -6.480
   70    H    SER  10           HN       SER  10  -1.587  14.526  -5.382
   71    HA   SER  10           HA       SER  10   1.171  15.035  -5.819
   72    HG   SER  10           HG       SER  10   0.315  16.651  -3.944
   73    HB2  SER  10           HB2      SER  10  -0.172  13.908  -3.343
   74    HB3  SER  10           HB1      SER  10   1.377  14.757  -3.415
   75    H    HIS  11           HN       HIS  11  -0.573  12.334  -6.418
   76    HA   HIS  11           HA       HIS  11  -0.287  10.093  -6.488
   77    HD1  HIS  11           HD1      HIS  11   2.753  12.332  -8.420
   78    HD2  HIS  11           HD2      HIS  11   0.672   8.786  -9.061
   79    HE1  HIS  11           HE1      HIS  11   2.280  12.255 -10.890
   80    HE2  HIS  11           HE2      HIS  11   1.216  10.006 -11.278
   81    HB2  HIS  11           HB2      HIS  11   2.625  10.889  -6.367
   82    HB3  HIS  11           HB1      HIS  11   2.087   9.226  -6.579
   83    H    VAL  12           HN       VAL  12  -0.519  11.675  -4.032
   84    HA   VAL  12           HA       VAL  12  -0.721  11.366  -1.804
   85    HB   VAL  12           HB       VAL  12  -0.098   8.472  -2.310
   86   HG11  VAL  12          HG11      VAL  12  -1.442   8.071  -0.319
   87   HG12  VAL  12          HG12      VAL  12  -1.681   9.809  -0.125
   88   HG13  VAL  12          HG13      VAL  12  -0.068   9.116   0.045
   89   HG21  VAL  12          HG21      VAL  12  -1.823   9.145  -3.821
   90   HG22  VAL  12          HG22      VAL  12  -2.690   9.972  -2.528
   91   HG23  VAL  12          HG23      VAL  12  -2.554   8.211  -2.512
   92    H    GLY  13           HN       GLY  13   1.757   8.911  -2.391
   93    HA2  GLY  13           HA2      GLY  13   3.955  10.519  -1.588
   94    HA3  GLY  13           HA1      GLY  13   3.425   9.477  -0.268
   95    H    TRP  14           HN       TRP  14   3.048   8.560  -3.592
   96    HA   TRP  14           HA       TRP  14   4.906   6.332  -3.105
   97    HD1  TRP  14           HD1      TRP  14   4.366   3.387  -3.616
   98    HE1  TRP  14           HE1      TRP  14   4.780   1.901  -5.680
   99    HE3  TRP  14           HE3      TRP  14   2.425   6.460  -7.212
  100    HZ2  TRP  14           HZ2      TRP  14   4.329   2.028  -8.469
  101    HZ3  TRP  14           HZ3      TRP  14   2.452   5.703  -9.553
  102    HH2  TRP  14           HH2      TRP  14   3.384   3.533 -10.167
  103    HB2  TRP  14           HB2      TRP  14   2.647   5.536  -3.308
  104    HB3  TRP  14           HB1      TRP  14   2.377   6.502  -4.756
  105    H    ASP  15           HN       ASP  15   6.524   5.967  -4.459
  106    HA   ASP  15           HA       ASP  15   6.609   7.439  -7.013
  107    HB2  ASP  15           HB2      ASP  15   8.405   8.221  -5.643
  108    HB3  ASP  15           HB1      ASP  15   8.858   6.584  -5.179
  109    HA   PRO  16           HA       PRO  16   5.951   3.797  -9.274
  110    HB2  PRO  16           HB2      PRO  16   8.208   4.868 -10.913
  111    HB3  PRO  16           HB1      PRO  16   6.625   4.275 -11.426
  112    HG2  PRO  16           HG2      PRO  16   7.143   6.892 -11.267
  113    HG3  PRO  16           HG1      PRO  16   5.552   6.232 -10.848
  114    HD2  PRO  16           HD2      PRO  16   7.667   7.317  -9.085
  115    HD3  PRO  16           HD1      PRO  16   5.916   7.209  -8.824
  116    H    GLN  17           HN       GLN  17   9.380   4.579  -8.625
  117    HA   GLN  17           HA       GLN  17   9.980   1.705  -8.880
  118    HB2  GLN  17           HB2      GLN  17  11.936   3.999  -8.868
  119    HB3  GLN  17           HB1      GLN  17  12.283   2.311  -9.207
  120    HG2  GLN  17           HG2      GLN  17  10.710   2.512 -11.167
  121    HG3  GLN  17           HG1      GLN  17  10.728   4.252 -10.882
  122   HE21  GLN  17          HE21      GLN  17  13.562   4.128 -10.006
  123   HE22  GLN  17          HE22      GLN  17  14.484   3.968 -11.460
  124    H    ASN  18           HN       ASN  18   9.957   4.363  -6.639
  125    HA   ASN  18           HA       ASN  18  11.720   2.922  -4.798
  126    HB2  ASN  18           HB2      ASN  18  10.695   5.757  -4.761
  127    HB3  ASN  18           HB1      ASN  18  11.701   5.054  -3.500
  128   HD21  ASN  18          HD21      ASN  18  11.582   6.147  -6.799
  129   HD22  ASN  18          HD22      ASN  18  13.302   6.235  -7.030
  130    H    GLY  19           HN       GLY  19   8.390   3.551  -5.248
  131    HA2  GLY  19           HA2      GLY  19   6.677   2.480  -4.084
  132    HA3  GLY  19           HA1      GLY  19   7.816   2.084  -2.806
  133    H    PHE  20           HN       PHE  20   6.059   2.735  -1.408
  134    HA   PHE  20           HA       PHE  20   5.309   5.520  -1.258
  135    HD1  PHE  20           HD1      PHE  20   4.001   1.720  -1.037
  136    HD2  PHE  20           HD2      PHE  20   2.312   5.582  -0.401
  137    HE1  PHE  20           HE1      PHE  20   2.001   1.052  -2.295
  138    HE2  PHE  20           HE2      PHE  20   0.312   4.919  -1.667
  139    HZ   PHE  20           HZ       PHE  20   0.155   2.651  -2.617
  140    HB2  PHE  20           HB2      PHE  20   4.870   3.223   0.671
  141    HB3  PHE  20           HB1      PHE  20   4.208   4.836   0.881
  142    H    ASP  21           HN       ASP  21   5.977   6.989   0.377
  143    HA   ASP  21           HA       ASP  21   8.481   6.325   1.686
  144    HB2  ASP  21           HB2      ASP  21   8.260   8.589   0.800
  145    HB3  ASP  21           HB1      ASP  21   6.831   8.860   1.794
  146    H    VAL  22           HN       VAL  22   8.502   5.288   3.536
  147    HA   VAL  22           HA       VAL  22   6.034   4.821   4.938
  148    HB   VAL  22           HB       VAL  22   7.426   3.359   6.408
  149   HG11  VAL  22          HG11      VAL  22   7.817   1.664   4.669
  150   HG12  VAL  22          HG12      VAL  22   7.619   2.906   3.432
  151   HG13  VAL  22          HG13      VAL  22   6.261   2.470   4.471
  152   HG21  VAL  22          HG21      VAL  22   9.563   4.578   6.118
  153   HG22  VAL  22          HG22      VAL  22   9.626   4.010   4.446
  154   HG23  VAL  22          HG23      VAL  22   9.703   2.852   5.776
  155    H    ASN  23           HN       ASN  23   8.232   7.258   5.114
  156    HA   ASN  23           HA       ASN  23   8.001   7.692   7.973
  157    HB2  ASN  23           HB2      ASN  23  10.095   8.338   7.016
  158    HB3  ASN  23           HB1      ASN  23   9.303   9.256   5.741
  159   HD21  ASN  23          HD21      ASN  23   8.704  11.312   6.100
  160   HD22  ASN  23          HD22      ASN  23   9.028  12.179   7.567
  161    H    ASN  24           HN       ASN  24   6.929   9.265   4.965
  162    HA   ASN  24           HA       ASN  24   4.918  10.756   6.497
  163    HB2  ASN  24           HB2      ASN  24   5.993  11.042   3.696
  164    HB3  ASN  24           HB1      ASN  24   4.509  11.847   4.199
  165   HD21  ASN  24          HD21      ASN  24   5.389  12.338   6.899
  166   HD22  ASN  24          HD22      ASN  24   6.574  13.595   6.813
  167    H    LEU  25           HN       LEU  25   4.447   8.064   6.419
  168    HA   LEU  25           HA       LEU  25   2.516   7.494   4.356
  169    HG   LEU  25           HG       LEU  25   4.570   5.586   4.517
  170    HB2  LEU  25           HB2      LEU  25   3.589   6.055   6.726
  171    HB3  LEU  25           HB1      LEU  25   2.016   5.571   6.127
  172   HD11  LEU  25          HD11      LEU  25   4.417   3.160   4.660
  173   HD12  LEU  25          HD12      LEU  25   2.990   3.300   5.687
  174   HD13  LEU  25          HD13      LEU  25   4.554   3.876   6.267
  175   HD21  LEU  25          HD21      LEU  25   3.289   4.429   2.829
  176   HD22  LEU  25          HD22      LEU  25   2.533   5.982   3.185
  177   HD23  LEU  25          HD23      LEU  25   1.843   4.495   3.837
  178    H    ASP  26           HN       ASP  26   0.508   8.202   4.372
  179    HA   ASP  26           HA       ASP  26  -0.813   9.582   6.381
  180    HB2  ASP  26           HB2      ASP  26  -1.570   9.470   4.024
  181    HB3  ASP  26           HB1      ASP  26  -2.022   7.786   4.255
  182    HA   PRO  27           HA       PRO  27  -1.247   6.728   9.675
  183    HB2  PRO  27           HB2      PRO  27  -3.842   8.142  10.077
  184    HB3  PRO  27           HB1      PRO  27  -2.545   7.813  11.231
  185    HG2  PRO  27           HG2      PRO  27  -2.857  10.240  10.179
  186    HG3  PRO  27           HG1      PRO  27  -1.243   9.567  10.471
  187    HD2  PRO  27           HD2      PRO  27  -2.718   9.914   7.912
  188    HD3  PRO  27           HD1      PRO  27  -0.975   9.988   8.234
  189    H    ASP  28           HN       ASP  28  -4.037   7.223   7.539
  190    HA   ASP  28           HA       ASP  28  -5.359   4.829   8.424
  191    HB2  ASP  28           HB2      ASP  28  -5.817   6.724   6.125
  192    HB3  ASP  28           HB1      ASP  28  -6.729   5.228   6.276
  193    H    LEU  29           HN       LEU  29  -3.451   5.761   5.569
  194    HA   LEU  29           HA       LEU  29  -3.471   3.288   4.266
  195    HG   LEU  29           HG       LEU  29  -3.283   6.329   3.447
  196    HB2  LEU  29           HB2      LEU  29  -1.258   5.335   4.409
  197    HB3  LEU  29           HB1      LEU  29  -1.342   4.026   3.250
  198   HD11  LEU  29          HD11      LEU  29  -1.049   5.687   1.528
  199   HD12  LEU  29          HD12      LEU  29  -1.175   7.073   2.616
  200   HD13  LEU  29          HD13      LEU  29  -2.277   6.925   1.246
  201   HD21  LEU  29          HD21      LEU  29  -3.111   4.034   1.493
  202   HD22  LEU  29          HD22      LEU  29  -4.169   5.434   1.326
  203   HD23  LEU  29          HD23      LEU  29  -4.393   4.315   2.670
  204    H    ARG  30           HN       ARG  30  -1.280   4.603   6.714
  205    HA   ARG  30           HA       ARG  30   0.474   2.422   6.861
  206    HE   ARG  30           HE       ARG  30   1.631   5.961   9.696
  207    HB2  ARG  30           HB2      ARG  30   0.933   4.650   7.829
  208    HB3  ARG  30           HB1      ARG  30  -0.285   4.349   9.060
  209    HG2  ARG  30           HG2      ARG  30   1.048   2.965  10.245
  210    HG3  ARG  30           HG1      ARG  30   1.849   2.325   8.809
  211    HD2  ARG  30           HD2      ARG  30   3.377   3.635  10.202
  212    HD3  ARG  30           HD1      ARG  30   3.159   4.349   8.606
  213   HH11  ARG  30          HH11      ARG  30   3.937   4.211  11.659
  214   HH12  ARG  30          HH12      ARG  30   4.052   5.466  12.858
  215   HH21  ARG  30          HH21      ARG  30   1.791   7.619  11.265
  216   HH22  ARG  30          HH22      ARG  30   2.809   7.378  12.658
  217    H    SER  31           HN       SER  31  -2.513   3.124   8.623
  218    HA   SER  31           HA       SER  31  -2.556   0.933  10.345
  219    HG   SER  31           HG       SER  31  -6.026   0.957  10.218
  220    HB2  SER  31           HB2      SER  31  -4.161   2.864  10.381
  221    HB3  SER  31           HB1      SER  31  -4.933   2.194   8.951
  222    H    LEU  32           HN       LEU  32  -3.823   1.284   7.060
  223    HA   LEU  32           HA       LEU  32  -4.925  -1.281   6.798
  224    HG   LEU  32           HG       LEU  32  -3.723  -1.258   3.578
  225    HB2  LEU  32           HB2      LEU  32  -5.626   0.358   5.276
  226    HB3  LEU  32           HB1      LEU  32  -3.986   0.782   4.838
  227   HD11  LEU  32          HD11      LEU  32  -5.536  -2.872   3.364
  228   HD12  LEU  32          HD12      LEU  32  -6.499  -1.949   4.517
  229   HD13  LEU  32          HD13      LEU  32  -5.009  -2.730   5.042
  230   HD21  LEU  32          HD21      LEU  32  -6.446  -0.236   2.887
  231   HD22  LEU  32          HD22      LEU  32  -5.185  -0.816   1.798
  232   HD23  LEU  32          HD23      LEU  32  -4.996   0.735   2.621
  233    H    PHE  33           HN       PHE  33  -1.878  -0.018   5.505
  234    HA   PHE  33           HA       PHE  33  -1.204  -2.385   4.166
  235    HD1  PHE  33           HD2      PHE  33  -2.134  -0.906   2.908
  236    HD2  PHE  33           HD1      PHE  33   1.353   1.495   3.538
  237    HE1  PHE  33           HE2      PHE  33  -2.947   0.731   1.278
  238    HE2  PHE  33           HE1      PHE  33   0.520   3.129   1.912
  239    HZ   PHE  33           HZ       PHE  33  -1.630   2.745   0.772
  240    HB2  PHE  33           HB2      PHE  33   0.697  -0.248   5.140
  241    HB3  PHE  33           HB1      PHE  33   0.991  -1.402   3.847
  242    H    SER  34           HN       SER  34  -0.520  -1.253   7.406
  243    HA   SER  34           HA       SER  34   1.356  -3.228   8.126
  244    HG   SER  34           HG       SER  34   1.872  -2.230  10.917
  245    HB2  SER  34           HB2      SER  34   1.040  -1.138   9.355
  246    HB3  SER  34           HB1      SER  34  -0.560  -1.670   9.866
  247    H    ARG  35           HN       ARG  35  -2.180  -3.117   8.230
  248    HA   ARG  35           HA       ARG  35  -2.550  -5.576   9.601
  249    HE   ARG  35           HE       ARG  35  -5.694  -2.180  11.430
  250    HB2  ARG  35           HB2      ARG  35  -4.369  -4.073   7.726
  251    HB3  ARG  35           HB1      ARG  35  -4.850  -5.515   8.605
  252    HG2  ARG  35           HG2      ARG  35  -4.485  -4.380  10.705
  253    HG3  ARG  35           HG1      ARG  35  -3.931  -2.955   9.834
  254    HD2  ARG  35           HD2      ARG  35  -6.134  -2.751   8.771
  255    HD3  ARG  35           HD1      ARG  35  -6.687  -4.169   9.659
  256   HH11  ARG  35          HH11      ARG  35  -8.488  -3.000   9.447
  257   HH12  ARG  35          HH12      ARG  35  -9.584  -2.045  10.405
  258   HH21  ARG  35          HH21      ARG  35  -7.155  -0.935  12.672
  259   HH22  ARG  35          HH22      ARG  35  -8.840  -0.907  12.246
  260    H    ALA  36           HN       ALA  36  -2.055  -4.676   6.276
  261    HA   ALA  36           HA       ALA  36  -2.933  -7.159   5.154
  262    HB1  ALA  36           HB1      ALA  36  -2.120  -6.255   3.040
  263    HB2  ALA  36           HB2      ALA  36  -1.335  -4.930   3.902
  264    HB3  ALA  36           HB3      ALA  36  -3.094  -5.068   3.908
  265    H    GLY  37           HN       GLY  37  -0.039  -6.128   6.619
  266    HA2  GLY  37           HA2      GLY  37   1.661  -7.682   7.205
  267    HA3  GLY  37           HA1      GLY  37   1.240  -8.634   5.789
  268    H    ILE  38           HN       ILE  38   1.219  -5.610   4.669
  269    HA   ILE  38           HA       ILE  38   3.766  -5.810   3.399
  270    HB   ILE  38           HB       ILE  38   2.044  -3.337   3.474
  271   HG12  ILE  38          HG12      ILE  38   1.669  -5.493   1.425
  272   HG13  ILE  38          HG11      ILE  38   0.827  -5.609   2.966
  273   HG21  ILE  38          HG21      ILE  38   4.254  -3.209   2.396
  274   HG22  ILE  38          HG22      ILE  38   2.940  -2.992   1.240
  275   HG23  ILE  38          HG23      ILE  38   3.794  -4.533   1.325
  276   HD11  ILE  38          HD11      ILE  38  -0.562  -4.607   1.256
  277   HD12  ILE  38          HD12      ILE  38   0.636  -3.335   1.010
  278   HD13  ILE  38          HD13      ILE  38  -0.221  -3.457   2.547
  279    H    SER  39           HN       SER  39   5.603  -5.372   4.451
  280    HA   SER  39           HA       SER  39   5.585  -3.586   6.740
  281    HG   SER  39           HG       SER  39   7.456  -3.731   7.971
  282    HB2  SER  39           HB2      SER  39   6.697  -5.828   6.810
  283    HB3  SER  39           HB1      SER  39   7.858  -5.223   5.636
  284    H    GLU  40           HN       GLU  40   7.747  -2.221   6.918
  285    HA   GLU  40           HA       GLU  40   7.498  -0.064   5.221
  286    HB2  GLU  40           HB2      GLU  40  10.086  -0.814   6.573
  287    HB3  GLU  40           HB1      GLU  40   9.536   0.795   6.137
  288    HG2  GLU  40           HG2      GLU  40   9.159   0.763   8.395
  289    HG3  GLU  40           HG1      GLU  40   7.582   0.288   7.770
  290    H    ALA  41           HN       ALA  41   9.914  -2.662   5.045
  291    HA   ALA  41           HA       ALA  41  11.286  -1.698   2.796
  292    HB1  ALA  41           HB1      ALA  41  12.184  -3.427   4.271
  293    HB2  ALA  41           HB2      ALA  41  12.184  -3.953   2.588
  294    HB3  ALA  41           HB3      ALA  41  10.955  -4.556   3.701
  295    H    GLN  42           HN       GLN  42   8.394  -3.662   3.095
  296    HA   GLN  42           HA       GLN  42   8.383  -4.395   0.322
  297    HB2  GLN  42           HB2      GLN  42   7.212  -5.427   2.575
  298    HB3  GLN  42           HB1      GLN  42   5.850  -4.654   1.771
  299    HG2  GLN  42           HG2      GLN  42   6.147  -7.025   1.148
  300    HG3  GLN  42           HG1      GLN  42   6.233  -5.923  -0.224
  301   HE21  GLN  42          HE21      GLN  42   7.370  -7.392  -1.449
  302   HE22  GLN  42          HE22      GLN  42   9.028  -7.749  -1.145
  303    H    LEU  43           HN       LEU  43   7.010  -1.856   2.276
  304    HA   LEU  43           HA       LEU  43   5.271  -0.875   0.227
  305    HG   LEU  43           HG       LEU  43   4.469  -1.271   3.022
  306    HB2  LEU  43           HB2      LEU  43   6.344   0.342   2.762
  307    HB3  LEU  43           HB1      LEU  43   5.362   1.258   1.634
  308   HD11  LEU  43          HD11      LEU  43   3.065   0.167   4.365
  309   HD12  LEU  43          HD12      LEU  43   3.679   1.595   3.532
  310   HD13  LEU  43          HD13      LEU  43   4.754   0.641   4.558
  311   HD21  LEU  43          HD21      LEU  43   3.015   0.700   1.265
  312   HD22  LEU  43          HD22      LEU  43   2.256  -0.614   2.163
  313   HD23  LEU  43          HD23      LEU  43   3.402  -0.976   0.873
  314    H    THR  44           HN       THR  44   8.632  -0.852   0.667
  315    HA   THR  44           HA       THR  44   8.900   1.474  -1.117
  316    HB   THR  44           HB       THR  44  11.385   1.298  -0.420
  317    HG1  THR  44           HG1      THR  44  10.231  -0.009   1.833
  318   HG21  THR  44          HG21      THR  44   9.292   2.146   1.589
  319   HG22  THR  44          HG22      THR  44   9.958   3.134   0.291
  320   HG23  THR  44          HG23      THR  44  10.991   2.623   1.625
  321    H    ASP  45           HN       ASP  45   8.395  -1.589  -1.382
  322    HA   ASP  45           HA       ASP  45  10.471  -2.418  -3.191
  323    HB2  ASP  45           HB2      ASP  45   9.187  -4.044  -1.818
  324    HB3  ASP  45           HB1      ASP  45   7.732  -3.618  -2.710
  325    H    ALA  46           HN       ALA  46   9.860  -3.106  -5.483
  326    HA   ALA  46           HA       ALA  46   8.796  -0.753  -6.743
  327    HB1  ALA  46           HB1      ALA  46   9.520  -1.732  -8.821
  328    HB2  ALA  46           HB2      ALA  46   9.790  -3.286  -8.030
  329    HB3  ALA  46           HB3      ALA  46  10.792  -1.897  -7.610
  330    H    GLU  47           HN       GLU  47   8.017  -4.217  -7.369
  331    HA   GLU  47           HA       GLU  47   5.559  -3.418  -8.577
  332    HB2  GLU  47           HB2      GLU  47   5.089  -5.866  -8.753
  333    HB3  GLU  47           HB1      GLU  47   6.571  -5.330  -9.523
  334    HG2  GLU  47           HG2      GLU  47   6.752  -6.348  -6.750
  335    HG3  GLU  47           HG1      GLU  47   6.435  -7.509  -8.032
  336    H    THR  48           HN       THR  48   6.408  -4.807  -5.437
  337    HA   THR  48           HA       THR  48   3.874  -5.347  -4.481
  338    HB   THR  48           HB       THR  48   6.056  -4.075  -2.813
  339    HG1  THR  48           HG1      THR  48   6.998  -5.839  -3.811
  340   HG21  THR  48          HG21      THR  48   3.767  -5.939  -2.157
  341   HG22  THR  48          HG22      THR  48   3.922  -4.250  -1.673
  342   HG23  THR  48          HG23      THR  48   5.033  -5.458  -1.025
  343    H    SER  49           HN       SER  49   5.562  -2.182  -4.402
  344    HA   SER  49           HA       SER  49   3.485  -0.941  -2.899
  345    HG   SER  49           HG       SER  49   6.681   0.011  -4.801
  346    HB2  SER  49           HB2      SER  49   4.686   1.140  -3.271
  347    HB3  SER  49           HB1      SER  49   5.832  -0.143  -2.877
  348    H    LYS  50           HN       LYS  50   4.264  -1.084  -6.338
  349    HA   LYS  50           HA       LYS  50   2.561   0.939  -7.228
  350    HB2  LYS  50           HB2      LYS  50   4.297  -0.194  -8.623
  351    HB3  LYS  50           HB1      LYS  50   3.239  -1.596  -8.733
  352    HG2  LYS  50           HG2      LYS  50   1.500  -0.044  -9.706
  353    HG3  LYS  50           HG1      LYS  50   2.781   1.158  -9.836
  354    HD2  LYS  50           HD2      LYS  50   4.074  -0.408 -11.228
  355    HD3  LYS  50           HD1      LYS  50   2.742  -1.561 -11.137
  356    HE2  LYS  50           HE2      LYS  50   1.266   0.221 -12.116
  357    HE3  LYS  50           HE1      LYS  50   2.723   1.168 -12.399
  358    HZ1  LYS  50           HZ1      LYS  50   2.313   0.057 -14.391
  359    HZ2  LYS  50           HZ2      LYS  50   1.947  -1.406 -13.616
  360    HZ3  LYS  50           HZ3      LYS  50   3.549  -0.848 -13.659
  361    H    LEU  51           HN       LEU  51   1.944  -2.504  -6.713
  362    HA   LEU  51           HA       LEU  51  -0.671  -2.465  -7.778
  363    HG   LEU  51           HG       LEU  51   1.544  -4.566  -8.105
  364    HB2  LEU  51           HB2      LEU  51   0.667  -4.347  -5.860
  365    HB3  LEU  51           HB1      LEU  51  -0.969  -4.582  -6.445
  366   HD11  LEU  51          HD11      LEU  51   0.920  -6.893  -8.529
  367   HD12  LEU  51          HD12      LEU  51  -0.444  -6.722  -7.425
  368   HD13  LEU  51          HD13      LEU  51   1.207  -6.592  -6.816
  369   HD21  LEU  51          HD21      LEU  51  -0.008  -5.218  -9.943
  370   HD22  LEU  51          HD22      LEU  51  -0.173  -3.545  -9.410
  371   HD23  LEU  51          HD23      LEU  51  -1.353  -4.758  -8.904
  372    H    ILE  52           HN       ILE  52   0.581  -1.897  -4.511
  373    HA   ILE  52           HA       ILE  52  -1.910  -1.817  -3.223
  374    HB   ILE  52           HB       ILE  52   0.518  -0.159  -2.567
  375   HG12  ILE  52          HG12      ILE  52  -0.266  -2.953  -1.718
  376   HG13  ILE  52          HG11      ILE  52   1.112  -2.513  -2.719
  377   HG21  ILE  52          HG21      ILE  52  -0.411  -0.207  -0.290
  378   HG22  ILE  52          HG22      ILE  52  -1.833  -1.048  -0.911
  379   HG23  ILE  52          HG23      ILE  52  -1.478   0.599  -1.443
  380   HD11  ILE  52          HD11      ILE  52   0.693  -1.988   0.195
  381   HD12  ILE  52          HD12      ILE  52   1.940  -1.171  -0.752
  382   HD13  ILE  52          HD13      ILE  52   1.970  -2.928  -0.581
  383    H    TYR  53           HN       TYR  53  -0.052   0.757  -4.823
  384    HA   TYR  53           HA       TYR  53  -1.870   2.847  -4.275
  385    HD1  TYR  53           HD2      TYR  53  -1.004   5.158  -4.116
  386    HD2  TYR  53           HD1      TYR  53  -0.476   4.167  -8.222
  387    HE1  TYR  53           HE2      TYR  53  -1.602   7.462  -4.743
  388    HE2  TYR  53           HE1      TYR  53  -1.070   6.466  -8.861
  389    HH   TYR  53           HH       TYR  53  -2.292   8.373  -7.954
  390    HB2  TYR  53           HB2      TYR  53   0.486   3.149  -5.041
  391    HB3  TYR  53           HB1      TYR  53   0.006   2.586  -6.638
  392    H    ASP  54           HN       ASP  54  -1.505   0.681  -7.032
  393    HA   ASP  54           HA       ASP  54  -3.681   1.518  -8.581
  394    HB2  ASP  54           HB2      ASP  54  -2.229   0.044  -9.644
  395    HB3  ASP  54           HB1      ASP  54  -2.137  -1.035  -8.259
  396    H    PHE  55           HN       PHE  55  -3.480  -0.868  -5.998
  397    HA   PHE  55           HA       PHE  55  -6.095  -1.794  -5.910
  398    HD1  PHE  55           HD1      PHE  55  -6.581  -3.971  -3.973
  399    HD2  PHE  55           HD2      PHE  55  -5.033  -0.614  -1.848
  400    HE1  PHE  55           HE1      PHE  55  -8.019  -4.525  -2.060
  401    HE2  PHE  55           HE2      PHE  55  -6.482  -1.163   0.064
  402    HZ   PHE  55           HZ       PHE  55  -7.970  -3.123  -0.035
  403    HB2  PHE  55           HB2      PHE  55  -4.458  -2.880  -4.597
  404    HB3  PHE  55           HB1      PHE  55  -3.971  -1.383  -3.817
  405    H    ILE  56           HN       ILE  56  -4.640   0.975  -4.284
  406    HA   ILE  56           HA       ILE  56  -6.894   1.803  -2.849
  407    HB   ILE  56           HB       ILE  56  -4.486   3.315  -3.847
  408   HG12  ILE  56          HG12      ILE  56  -5.235   2.365  -1.079
  409   HG13  ILE  56          HG11      ILE  56  -4.220   1.451  -2.186
  410   HG21  ILE  56          HG21      ILE  56  -5.067   5.110  -2.320
  411   HG22  ILE  56          HG22      ILE  56  -6.559   4.278  -1.879
  412   HG23  ILE  56          HG23      ILE  56  -6.340   4.887  -3.521
  413   HD11  ILE  56          HD11      ILE  56  -2.583   3.261  -2.163
  414   HD12  ILE  56          HD12      ILE  56  -2.891   2.618  -0.552
  415   HD13  ILE  56          HD13      ILE  56  -3.601   4.159  -1.036
  416    H    GLU  57           HN       GLU  57  -5.721   2.758  -6.071
  417    HA   GLU  57           HA       GLU  57  -7.786   4.612  -6.610
  418    HB2  GLU  57           HB2      GLU  57  -5.650   4.421  -7.914
  419    HB3  GLU  57           HB1      GLU  57  -6.261   2.927  -8.610
  420    HG2  GLU  57           HG2      GLU  57  -8.054   4.069  -9.690
  421    HG3  GLU  57           HG1      GLU  57  -7.668   5.570  -8.857
  422    H    ASP  58           HN       ASP  58  -7.487   1.146  -7.042
  423    HA   ASP  58           HA       ASP  58  -9.754   0.703  -8.637
  424    HB2  ASP  58           HB2      ASP  58  -8.002  -0.966  -8.371
  425    HB3  ASP  58           HB1      ASP  58  -8.384  -1.125  -6.662
  426    H    GLN  59           HN       GLN  59  -9.414   1.161  -5.185
  427    HA   GLN  59           HA       GLN  59 -12.105   0.221  -4.644
  428    HB2  GLN  59           HB2      GLN  59 -10.195   1.606  -2.757
  429    HB3  GLN  59           HB1      GLN  59 -11.638   0.705  -2.316
  430    HG2  GLN  59           HG2      GLN  59  -9.077  -0.368  -3.459
  431    HG3  GLN  59           HG1      GLN  59  -9.759  -0.666  -1.862
  432   HE21  GLN  59          HE21      GLN  59  -8.971  -2.491  -4.018
  433   HE22  GLN  59          HE22      GLN  59 -10.364  -3.450  -4.360
  434    H    GLY  60           HN       GLY  60 -10.666   3.137  -5.592
  435    HA2  GLY  60           HA2      GLY  60 -12.301   4.855  -6.285
  436    HA3  GLY  60           HA1      GLY  60 -13.090   4.597  -4.736
  437    H    GLY  61           HN       GLY  61  -9.755   4.448  -4.386
  438    HA2  GLY  61           HA2      GLY  61  -8.200   6.300  -4.286
  439    HA3  GLY  61           HA1      GLY  61  -9.557   7.350  -3.922
  440    H    LEU  62           HN       LEU  62  -7.544   7.677  -2.311
  441    HA   LEU  62           HA       LEU  62  -6.997   5.982  -0.200
  442    HG   LEU  62           HG       LEU  62  -5.679   8.312  -1.907
  443    HB2  LEU  62           HB2      LEU  62  -7.195   8.985  -0.057
  444    HB3  LEU  62           HB1      LEU  62  -6.287   7.954   1.028
  445   HD11  LEU  62          HD11      LEU  62  -3.766   9.626  -1.097
  446   HD12  LEU  62          HD12      LEU  62  -4.391   9.494   0.548
  447   HD13  LEU  62          HD13      LEU  62  -5.311  10.368  -0.678
  448   HD21  LEU  62          HD21      LEU  62  -4.961   6.148  -1.007
  449   HD22  LEU  62          HD22      LEU  62  -4.124   6.973   0.308
  450   HD23  LEU  62          HD23      LEU  62  -3.580   7.188  -1.356
  451    H    GLU  63           HN       GLU  63  -9.408   8.549  -0.355
  452    HA   GLU  63           HA       GLU  63 -10.179   8.277   2.353
  453    HB2  GLU  63           HB2      GLU  63 -11.412   9.763   0.036
  454    HB3  GLU  63           HB1      GLU  63 -11.922   9.937   1.714
  455    HG2  GLU  63           HG2      GLU  63  -9.960  10.958   2.347
  456    HG3  GLU  63           HG1      GLU  63  -9.061  10.328   0.970
  457    H    ALA  64           HN       ALA  64 -11.242   6.760  -0.567
  458    HA   ALA  64           HA       ALA  64 -13.716   5.785   0.529
  459    HB1  ALA  64           HB1      ALA  64 -12.147   4.830  -1.868
  460    HB2  ALA  64           HB2      ALA  64 -13.433   6.038  -1.887
  461    HB3  ALA  64           HB3      ALA  64 -13.799   4.365  -1.460
  462    H    VAL  65           HN       VAL  65 -10.427   4.626   0.142
  463    HA   VAL  65           HA       VAL  65 -10.747   1.998   1.098
  464    HB   VAL  65           HB       VAL  65  -8.373   3.875   1.180
  465   HG11  VAL  65          HG11      VAL  65  -6.981   1.920   1.645
  466   HG12  VAL  65          HG12      VAL  65  -8.430   0.926   1.805
  467   HG13  VAL  65          HG13      VAL  65  -8.121   2.227   2.954
  468   HG21  VAL  65          HG21      VAL  65  -9.088   1.568  -0.627
  469   HG22  VAL  65          HG22      VAL  65  -7.547   2.425  -0.654
  470   HG23  VAL  65          HG23      VAL  65  -9.037   3.277  -1.061
  471    H    ARG  66           HN       ARG  66 -10.239   5.066   2.726
  472    HA   ARG  66           HA       ARG  66  -9.860   4.164   5.344
  473    HE   ARG  66           HE       ARG  66  -8.713   7.755   6.828
  474    HB2  ARG  66           HB2      ARG  66 -11.350   6.643   4.470
  475    HB3  ARG  66           HB1      ARG  66 -10.627   6.367   6.049
  476    HG2  ARG  66           HG2      ARG  66  -8.409   6.274   4.971
  477    HG3  ARG  66           HG1      ARG  66  -9.177   6.662   3.429
  478    HD2  ARG  66           HD2      ARG  66  -8.289   8.681   4.393
  479    HD3  ARG  66           HD1      ARG  66 -10.051   8.747   4.443
  480   HH11  ARG  66          HH11      ARG  66 -10.376  10.382   5.224
  481   HH12  ARG  66          HH12      ARG  66 -10.543  11.331   6.668
  482   HH21  ARG  66          HH21      ARG  66  -8.898   8.992   8.715
  483   HH22  ARG  66          HH22      ARG  66  -9.670  10.551   8.664
  484    H    GLN  67           HN       GLN  67 -12.777   4.640   3.459
  485    HA   GLN  67           HA       GLN  67 -14.614   4.347   5.603
  486    HB2  GLN  67           HB2      GLN  67 -15.052   3.899   2.645
  487    HB3  GLN  67           HB1      GLN  67 -16.309   4.083   3.860
  488    HG2  GLN  67           HG2      GLN  67 -15.571   6.360   4.302
  489    HG3  GLN  67           HG1      GLN  67 -14.294   6.184   3.100
  490   HE21  GLN  67          HE21      GLN  67 -17.498   4.851   2.732
  491   HE22  GLN  67          HE22      GLN  67 -17.992   5.888   1.442
  492    H    GLU  68           HN       GLU  68 -13.232   2.158   3.216
  493    HA   GLU  68           HA       GLU  68 -14.662  -0.165   3.606
  494    HB2  GLU  68           HB2      GLU  68 -11.654   0.025   3.277
  495    HB3  GLU  68           HB1      GLU  68 -12.656  -1.371   2.900
  496    HG2  GLU  68           HG2      GLU  68 -13.597   0.943   1.495
  497    HG3  GLU  68           HG1      GLU  68 -11.872   0.705   1.210
  498    H    MET  69           HN       MET  69 -12.165   1.240   5.630
  499    HA   MET  69           HA       MET  69 -11.456  -0.963   7.184
  500    HB2  MET  69           HB2      MET  69 -11.458   1.978   7.757
  501    HB3  MET  69           HB1      MET  69 -10.940   0.809   8.966
  502    HG2  MET  69           HG2      MET  69  -9.327  -0.076   7.281
  503    HG3  MET  69           HG1      MET  69  -9.749   1.297   6.262
  504    HE1  MET  69           HE1      MET  69  -6.962   0.271   7.491
  505    HE2  MET  69           HE2      MET  69  -6.130   1.783   7.870
  506    HE3  MET  69           HE3      MET  69  -6.995   1.607   6.339
  507    H    ARG  70           HN       ARG  70 -14.136   1.270   7.529
  508    HA   ARG  70           HA       ARG  70 -15.092  -0.290   9.821
  509    HE   ARG  70           HE       ARG  70 -14.128   4.319  10.717
  510    HB2  ARG  70           HB2      ARG  70 -16.277   1.760  10.544
  511    HB3  ARG  70           HB1      ARG  70 -14.535   1.963  10.503
  512    HG2  ARG  70           HG2      ARG  70 -16.057   2.787   8.097
  513    HG3  ARG  70           HG1      ARG  70 -16.203   3.784   9.545
  514    HD2  ARG  70           HD2      ARG  70 -13.592   2.990   8.253
  515    HD3  ARG  70           HD1      ARG  70 -14.406   4.531   8.006
  516   HH11  ARG  70          HH11      ARG  70 -11.916   4.250   7.994
  517   HH12  ARG  70          HH12      ARG  70 -10.600   4.942   8.895
  518   HH21  ARG  70          HH21      ARG  70 -12.397   5.235  11.885
  519   HH22  ARG  70          HH22      ARG  70 -10.867   5.495  11.094
  520    H    ARG  71           HN       ARG  71 -15.467  -0.595   6.861
  521    HA   ARG  71           HA       ARG  71 -18.401  -0.594   6.883
  522    HE   ARG  71           HE       ARG  71 -17.917   1.526   2.103
  523    HB2  ARG  71           HB2      ARG  71 -17.703   1.394   5.656
  524    HB3  ARG  71           HB1      ARG  71 -16.673   0.416   4.622
  525    HG2  ARG  71           HG2      ARG  71 -19.465  -0.442   4.690
  526    HG3  ARG  71           HG1      ARG  71 -19.212   1.179   4.034
  527    HD2  ARG  71           HD2      ARG  71 -17.574  -1.177   3.145
  528    HD3  ARG  71           HD1      ARG  71 -19.127  -0.789   2.396
  529   HH11  ARG  71          HH11      ARG  71 -16.637  -1.719   1.666
  530   HH12  ARG  71          HH12      ARG  71 -15.420  -1.206   0.520
  531   HH21  ARG  71          HH21      ARG  71 -16.330   2.165   0.541
  532   HH22  ARG  71          HH22      ARG  71 -15.251   0.958  -0.100
  533    H    GLN  72           HN       GLN  72 -15.682  -1.559   4.823
  534    HA   GLN  72           HA       GLN  72 -15.269  -3.389   3.562
  535    HB2  GLN  72           HB2      GLN  72 -15.124  -4.523   5.726
  536    HB3  GLN  72           HB1      GLN  72 -16.861  -4.800   5.716
  537    HG2  GLN  72           HG2      GLN  72 -16.603  -6.175   3.692
  538    HG3  GLN  72           HG1      GLN  72 -14.858  -5.944   3.780
  539   HE21  GLN  72          HE21      GLN  72 -13.687  -7.011   5.335
  540   HE22  GLN  72          HE22      GLN  72 -14.337  -8.310   6.267
  541    H1   GLY  73           HT1      GLY  73  -6.832 -17.592   5.166
  542    H2   GLY  73           HT2      GLY  73  -7.669 -17.223   6.597
  543    H3   GLY  73           HT3      GLY  73  -6.603 -18.535   6.557
  544    HA2  GLY  73           HA1      GLY  73  -5.612 -16.656   7.706
  545    HA3  GLY  73           HA2      GLY  73  -4.721 -17.084   6.252
  546    H    HIS  74           HN       HIS  74  -7.794 -15.367   6.321
  547    HA   HIS  74           HA       HIS  74  -6.430 -12.825   5.805
  548    HD1  HIS  74           HD1      HIS  74  -6.538 -15.607   3.143
  549    HD2  HIS  74           HD2      HIS  74  -6.094 -11.503   2.539
  550    HE1  HIS  74           HE1      HIS  74  -4.728 -15.368   1.422
  551    HE2  HIS  74           HE2      HIS  74  -4.324 -12.894   1.235
  552    HB2  HIS  74           HB2      HIS  74  -8.517 -14.102   4.033
  553    HB3  HIS  74           HB1      HIS  74  -8.242 -12.366   4.040
  554    H    MET  75           HN       MET  75  -7.442 -13.419   8.217
  555    HA   MET  75           HA       MET  75 -10.256 -12.799   8.390
  556    HB2  MET  75           HB2      MET  75  -8.155 -13.212  10.518
  557    HB3  MET  75           HB1      MET  75  -9.856 -12.923  10.860
  558    HG2  MET  75           HG2      MET  75 -10.434 -14.957   9.616
  559    HG3  MET  75           HG1      MET  75  -8.719 -15.250   9.331
  560    HE1  MET  75           HE1      MET  75  -7.436 -15.716  13.033
  561    HE2  MET  75           HE2      MET  75  -7.532 -14.215  12.110
  562    HE3  MET  75           HE3      MET  75  -6.961 -15.691  11.334
  563    H    LEU  76           HN       LEU  76  -9.457 -10.716   7.136
  564    HA   LEU  76           HA       LEU  76  -9.118  -8.594   9.145
  565    HG   LEU  76           HG       LEU  76  -6.262  -7.703   6.958
  566    HB2  LEU  76           HB2      LEU  76  -8.401  -8.693   6.221
  567    HB3  LEU  76           HB1      LEU  76  -8.605  -7.169   7.058
  568   HD11  LEU  76          HD11      LEU  76  -5.690  -7.660   9.331
  569   HD12  LEU  76          HD12      LEU  76  -7.335  -8.147   9.740
  570   HD13  LEU  76          HD13      LEU  76  -7.042  -6.586   8.972
  571   HD21  LEU  76          HD21      LEU  76  -5.328  -9.703   7.999
  572   HD22  LEU  76          HD22      LEU  76  -6.435 -10.120   6.690
  573   HD23  LEU  76          HD23      LEU  76  -6.954 -10.275   8.368
  574    HA   PRO  77           HA       PRO  77 -13.255  -7.495   8.026
  575    HB2  PRO  77           HB2      PRO  77 -13.623  -5.609   9.856
  576    HB3  PRO  77           HB1      PRO  77 -13.348  -7.289  10.339
  577    HG2  PRO  77           HG2      PRO  77 -11.495  -4.967  10.417
  578    HG3  PRO  77           HG1      PRO  77 -11.612  -6.349  11.515
  579    HD2  PRO  77           HD2      PRO  77  -9.785  -6.026   9.369
  580    HD3  PRO  77           HD1      PRO  77 -10.053  -7.489  10.335
  581    H    ASP  78           HN       ASP  78 -10.924  -6.179   6.560
  582    HA   ASP  78           HA       ASP  78 -12.345  -3.900   5.557
  583    HB2  ASP  78           HB2      ASP  78 -10.697  -2.215   6.135
  584    HB3  ASP  78           HB1      ASP  78 -11.296  -2.974   7.606
  585    H    VAL  79           HN       VAL  79 -10.379  -2.556   4.352
  586    HA   VAL  79           HA       VAL  79  -9.823  -3.721   1.974
  587    HB   VAL  79           HB       VAL  79  -7.592  -2.200   2.328
  588   HG11  VAL  79          HG11      VAL  79  -8.689  -0.535   1.060
  589   HG12  VAL  79          HG12      VAL  79 -10.279  -1.133   1.553
  590   HG13  VAL  79          HG13      VAL  79  -9.254  -2.110   0.503
  591   HG21  VAL  79          HG21      VAL  79  -8.201  -0.231   3.552
  592   HG22  VAL  79          HG22      VAL  79  -8.362  -1.627   4.615
  593   HG23  VAL  79          HG23      VAL  79  -9.797  -0.893   3.897
  594    H    ALA  80           HN       ALA  80  -7.974  -4.172   4.927
  595    HA   ALA  80           HA       ALA  80  -5.507  -4.803   3.856
  596    HB1  ALA  80           HB1      ALA  80  -5.819  -4.348   6.179
  597    HB2  ALA  80           HB2      ALA  80  -5.033  -5.917   5.978
  598    HB3  ALA  80           HB3      ALA  80  -6.748  -5.836   6.386
  599    H    GLN  81           HN       GLN  81  -8.185  -7.087   4.474
  600    HA   GLN  81           HA       GLN  81  -6.663  -9.377   3.690
  601    HB2  GLN  81           HB2      GLN  81  -8.777 -10.582   3.664
  602    HB3  GLN  81           HB1      GLN  81  -8.733  -9.533   5.074
  603    HG2  GLN  81           HG2      GLN  81 -10.196  -7.955   4.023
  604    HG3  GLN  81           HG1      GLN  81 -10.123  -8.833   2.500
  605   HE21  GLN  81          HE21      GLN  81 -10.278 -11.430   3.890
  606   HE22  GLN  81          HE22      GLN  81 -11.929 -11.603   4.363
  607    H    ARG  82           HN       ARG  82  -8.643  -7.054   2.088
  608    HA   ARG  82           HA       ARG  82  -8.898  -8.380  -0.420
  609    HE   ARG  82           HE       ARG  82 -11.513  -5.431  -3.504
  610    HB2  ARG  82           HB2      ARG  82 -10.554  -6.794   0.311
  611    HB3  ARG  82           HB1      ARG  82  -9.340  -5.547   0.527
  612    HG2  ARG  82           HG2      ARG  82 -10.525  -5.007  -1.428
  613    HG3  ARG  82           HG1      ARG  82  -8.958  -5.634  -1.936
  614    HD2  ARG  82           HD2      ARG  82  -9.895  -7.704  -2.600
  615    HD3  ARG  82           HD1      ARG  82 -11.421  -7.351  -1.788
  616   HH11  ARG  82          HH11      ARG  82 -10.220  -8.627  -4.096
  617   HH12  ARG  82          HH12      ARG  82 -10.572  -8.587  -5.797
  618   HH21  ARG  82          HH21      ARG  82 -11.978  -5.375  -5.735
  619   HH22  ARG  82          HH22      ARG  82 -11.571  -6.746  -6.730
  620    H    LEU  83           HN       LEU  83  -6.410  -6.692   1.134
  621    HA   LEU  83           HA       LEU  83  -5.213  -5.724  -1.344
  622    HG   LEU  83           HG       LEU  83  -2.418  -5.006   0.228
  623    HB2  LEU  83           HB2      LEU  83  -5.297  -4.183   0.559
  624    HB3  LEU  83           HB1      LEU  83  -4.395  -5.325   1.536
  625   HD11  LEU  83          HD11      LEU  83  -3.447  -4.816  -1.975
  626   HD12  LEU  83          HD12      LEU  83  -2.324  -3.490  -1.678
  627   HD13  LEU  83          HD13      LEU  83  -4.061  -3.216  -1.553
  628   HD21  LEU  83          HD21      LEU  83  -2.573  -3.366   1.900
  629   HD22  LEU  83          HD22      LEU  83  -3.812  -2.470   1.023
  630   HD23  LEU  83          HD23      LEU  83  -2.150  -2.479   0.433
  631    H    MET  84           HN       MET  84  -4.666  -8.004   1.292
  632    HA   MET  84           HA       MET  84  -2.139  -8.939   0.628
  633    HB2  MET  84           HB2      MET  84  -4.521 -10.537   1.586
  634    HB3  MET  84           HB1      MET  84  -2.861 -11.108   1.594
  635    HG2  MET  84           HG2      MET  84  -2.246  -9.391   3.177
  636    HG3  MET  84           HG1      MET  84  -3.885  -8.739   3.131
  637    HE1  MET  84           HE1      MET  84  -2.392  -9.498   5.797
  638    HE2  MET  84           HE2      MET  84  -3.632 -10.378   6.690
  639    HE3  MET  84           HE3      MET  84  -4.059  -8.916   5.800
  640    H    GLN  85           HN       GLN  85  -5.298  -9.987  -0.599
  641    HA   GLN  85           HA       GLN  85  -4.312 -11.922  -2.402
  642    HB2  GLN  85           HB2      GLN  85  -6.883 -10.344  -2.617
  643    HB3  GLN  85           HB1      GLN  85  -6.530 -11.878  -3.397
  644    HG2  GLN  85           HG2      GLN  85  -6.341 -12.906  -1.136
  645    HG3  GLN  85           HG1      GLN  85  -6.884 -11.373  -0.452
  646   HE21  GLN  85          HE21      GLN  85  -8.784 -12.229   0.391
  647   HE22  GLN  85          HE22      GLN  85 -10.099 -12.730  -0.612
  648    H    HIS  86           HN       HIS  86  -4.824  -8.480  -2.636
  649    HA   HIS  86           HA       HIS  86  -4.829  -8.244  -5.443
  650    HD1  HIS  86           HD1      HIS  86  -6.771  -5.765  -5.879
  651    HD2  HIS  86           HD2      HIS  86  -2.765  -4.651  -5.637
  652    HE1  HIS  86           HE1      HIS  86  -6.415  -4.113  -7.734
  653    HE2  HIS  86           HE2      HIS  86  -4.007  -3.408  -7.551
  654    HB2  HIS  86           HB2      HIS  86  -5.595  -6.524  -3.720
  655    HB3  HIS  86           HB1      HIS  86  -3.896  -6.112  -3.518
  656    H    LEU  87           HN       LEU  87  -2.234  -8.514  -3.115
  657    HA   LEU  87           HA       LEU  87  -0.215  -7.856  -5.105
  658    HG   LEU  87           HG       LEU  87   1.496  -6.683  -2.108
  659    HB2  LEU  87           HB2      LEU  87  -0.121  -8.623  -2.211
  660    HB3  LEU  87           HB1      LEU  87   1.325  -8.744  -3.190
  661   HD11  LEU  87          HD11      LEU  87   0.383  -6.186  -4.864
  662   HD12  LEU  87          HD12      LEU  87   2.066  -6.490  -4.422
  663   HD13  LEU  87          HD13      LEU  87   1.272  -5.003  -3.901
  664   HD21  LEU  87          HD21      LEU  87  -0.218  -5.057  -1.873
  665   HD22  LEU  87          HD22      LEU  87  -0.887  -6.615  -1.375
  666   HD23  LEU  87          HD23      LEU  87  -1.293  -5.947  -2.956
  667    H    ALA  88           HN       ALA  88  -1.218 -10.677  -3.223
  668    HA   ALA  88           HA       ALA  88   0.739 -12.461  -3.955
  669    HB1  ALA  88           HB1      ALA  88  -0.759 -14.214  -3.266
  670    HB2  ALA  88           HB2      ALA  88  -2.146 -13.140  -3.442
  671    HB3  ALA  88           HB3      ALA  88  -0.938 -12.822  -2.197
  672    H    GLU  89           HN       GLU  89  -2.235 -11.739  -5.738
  673    HA   GLU  89           HA       GLU  89  -2.147 -13.917  -7.503
  674    HB2  GLU  89           HB2      GLU  89  -3.323 -11.184  -7.963
  675    HB3  GLU  89           HB1      GLU  89  -3.663 -12.622  -8.915
  676    HG2  GLU  89           HG2      GLU  89  -4.263 -12.306  -5.985
  677    HG3  GLU  89           HG1      GLU  89  -5.427 -12.093  -7.289
  678    H    HIS  90           HN       HIS  90  -0.176 -11.094  -7.444
  679    HA   HIS  90           HA       HIS  90   0.422 -11.367 -10.311
  680    HD1  HIS  90           HD1      HIS  90  -0.243  -8.613 -11.872
  681    HD2  HIS  90           HD2      HIS  90  -1.731  -8.673  -7.982
  682    HE1  HIS  90           HE1      HIS  90  -2.547  -7.606 -12.006
  683    HE2  HIS  90           HE2      HIS  90  -3.453  -7.686  -9.651
  684    HB2  HIS  90           HB2      HIS  90   1.026  -9.094  -8.413
  685    HB3  HIS  90           HB1      HIS  90   1.520  -9.144 -10.101
  686    H    GLY  91           HN       GLY  91   1.568 -12.701  -7.618
  687    HA2  GLY  91           HA2      GLY  91   3.562 -13.839  -7.274
  688    HA3  GLY  91           HA1      GLY  91   4.150 -13.187  -8.795
  689    H    ILE  92           HN       ILE  92   2.910 -10.983  -6.530
  690    HA   ILE  92           HA       ILE  92   5.198  -9.389  -6.294
  691    HB   ILE  92           HB       ILE  92   2.760  -9.650  -4.535
  692   HG12  ILE  92          HG12      ILE  92   2.275  -9.062  -6.827
  693   HG13  ILE  92          HG11      ILE  92   2.045  -7.654  -5.802
  694   HG21  ILE  92          HG21      ILE  92   4.511  -8.590  -3.250
  695   HG22  ILE  92          HG22      ILE  92   3.303  -7.394  -3.724
  696   HG23  ILE  92          HG23      ILE  92   4.844  -7.479  -4.577
  697   HD11  ILE  92          HD11      ILE  92   4.425  -8.206  -7.543
  698   HD12  ILE  92          HD12      ILE  92   4.217  -6.797  -6.500
  699   HD13  ILE  92          HD13      ILE  92   3.131  -7.052  -7.868
  700    H    GLN  93           HN       GLN  93   6.660  -9.087  -4.571
  701    HA   GLN  93           HA       GLN  93   7.467 -11.548  -3.309
  702    HB2  GLN  93           HB2      GLN  93   8.569  -8.742  -3.041
  703    HB3  GLN  93           HB1      GLN  93   9.312 -10.182  -2.364
  704    HG2  GLN  93           HG2      GLN  93  10.503  -9.667  -4.331
  705    HG3  GLN  93           HG1      GLN  93   9.494 -11.060  -4.715
  706   HE21  GLN  93          HE21      GLN  93   9.635 -10.567  -6.922
  707   HE22  GLN  93          HE22      GLN  93   8.745  -9.257  -7.622
  708    HA   PRO  94           HA       PRO  94   5.385 -10.881   0.613
  709    HB2  PRO  94           HB2      PRO  94   7.392 -12.783   1.620
  710    HB3  PRO  94           HB1      PRO  94   5.632 -12.922   1.601
  711    HG2  PRO  94           HG2      PRO  94   7.208 -14.404  -0.008
  712    HG3  PRO  94           HG1      PRO  94   5.593 -13.862  -0.497
  713    HD2  PRO  94           HD2      PRO  94   8.273 -12.785  -1.277
  714    HD3  PRO  94           HD1      PRO  94   6.800 -12.969  -2.251
  715    H    ALA  95           HN       ALA  95   5.911  -9.807   2.530
  716    HA   ALA  95           HA       ALA  95   8.186  -8.129   2.504
  717    HB1  ALA  95           HB1      ALA  95   7.459  -7.409   4.715
  718    HB2  ALA  95           HB2      ALA  95   6.341  -8.771   4.802
  719    HB3  ALA  95           HB3      ALA  95   6.095  -7.501   3.601
  720    H    ARG  96           HN       ARG  96   9.929  -9.548   2.279
  721    HA   ARG  96           HA       ARG  96  10.523 -11.422   4.409
  722    HE   ARG  96           HE       ARG  96  12.724 -13.638   3.337
  723    HB2  ARG  96           HB2      ARG  96  11.927 -10.715   1.837
  724    HB3  ARG  96           HB1      ARG  96  12.601 -11.837   3.009
  725    HG2  ARG  96           HG2      ARG  96   9.930 -12.171   1.661
  726    HG3  ARG  96           HG1      ARG  96  11.431 -12.939   1.134
  727    HD2  ARG  96           HD2      ARG  96   9.988 -13.330   3.751
  728    HD3  ARG  96           HD1      ARG  96  10.201 -14.511   2.459
  729   HH11  ARG  96          HH11      ARG  96  10.039 -15.647   4.349
  730   HH12  ARG  96          HH12      ARG  96  11.001 -16.579   5.461
  731   HH21  ARG  96          HH21      ARG  96  13.982 -14.872   4.785
  732   HH22  ARG  96          HH22      ARG  96  13.239 -16.153   5.686
  733    H    ASN  97           HN       ASN  97  12.912  -9.394   2.837
  734    HA   ASN  97           HA       ASN  97  13.524  -7.599   4.856
  735    HB2  ASN  97           HB2      ASN  97  15.313  -8.609   6.095
  736    HB3  ASN  97           HB1      ASN  97  13.948  -9.718   6.180
  737   HD21  ASN  97          HD21      ASN  97  17.178  -9.247   5.170
  738   HD22  ASN  97          HD22      ASN  97  17.453 -10.841   4.544
  739    H    MET  98           HN       MET  98  14.473  -9.651   2.267
  740    HA   MET  98           HA       MET  98  16.965  -8.876   1.523
  741    HB2  MET  98           HB2      MET  98  15.630 -10.586   0.358
  742    HB3  MET  98           HB1      MET  98  14.613  -9.327  -0.328
  743    HG2  MET  98           HG2      MET  98  16.195 -10.093  -1.967
  744    HG3  MET  98           HG1      MET  98  16.556  -8.427  -1.522
  745    HE1  MET  98           HE1      MET  98  17.354 -11.701   0.543
  746    HE2  MET  98           HE2      MET  98  18.965 -12.082  -0.066
  747    HE3  MET  98           HE3      MET  98  17.573 -12.176  -1.143
  748    H    ALA  99           HN       ALA  99  17.839  -6.957   1.324
  749    HA   ALA  99           HA       ALA  99  16.313  -4.583   0.866
  750    HB1  ALA  99           HB1      ALA  99  18.277  -4.539   2.286
  751    HB2  ALA  99           HB2      ALA  99  18.501  -3.449   0.915
  752    HB3  ALA  99           HB3      ALA  99  19.296  -5.023   0.930
  753    H    GLU 100           HN       GLU 100  17.634  -6.908  -1.193
  754    HA   GLU 100           HA       GLU 100  18.240  -5.199  -3.396
  755    HB2  GLU 100           HB2      GLU 100  19.215  -7.485  -3.069
  756    HB3  GLU 100           HB1      GLU 100  17.636  -8.159  -3.446
  757    HG2  GLU 100           HG2      GLU 100  17.746  -7.066  -5.660
  758    HG3  GLU 100           HG1      GLU 100  19.378  -6.524  -5.275
  759    H    HIS 101           HN       HIS 101  16.379  -3.905  -3.590
  760    HA   HIS 101           HA       HIS 101  14.060  -5.249  -4.823
  761    HD1  HIS 101           HD1      HIS 101  11.417  -4.235  -2.890
  762    HD2  HIS 101           HD2      HIS 101  15.083  -2.968  -1.374
  763    HE1  HIS 101           HE1      HIS 101  11.143  -4.179  -0.379
  764    HE2  HIS 101           HE2      HIS 101  13.402  -3.488   0.514
  765    HB2  HIS 101           HB2      HIS 101  14.355  -2.332  -4.055
  766    HB3  HIS 101           HB1      HIS 101  12.893  -3.114  -4.623
  767    H    ILE 102           HN       ILE 102  16.874  -4.584  -5.843
  768    HA   ILE 102           HA       ILE 102  16.175  -2.735  -8.026
  769    HB   ILE 102           HB       ILE 102  18.903  -3.164  -6.791
  770   HG12  ILE 102          HG12      ILE 102  17.411  -2.087  -5.185
  771   HG13  ILE 102          HG11      ILE 102  18.614  -0.945  -5.768
  772   HG21  ILE 102          HG21      ILE 102  19.023  -2.457  -9.101
  773   HG22  ILE 102          HG22      ILE 102  19.524  -1.141  -8.039
  774   HG23  ILE 102          HG23      ILE 102  17.922  -1.119  -8.776
  775   HD11  ILE 102          HD11      ILE 102  16.948   0.035  -7.266
  776   HD12  ILE 102          HD12      ILE 102  16.432   0.096  -5.582
  777   HD13  ILE 102          HD13      ILE 102  15.745  -1.108  -6.671
  778    HA   PRO 103           HA       PRO 103  17.378  -6.091 -10.791
  779    HB2  PRO 103           HB2      PRO 103  17.486  -4.503 -13.026
  780    HB3  PRO 103           HB1      PRO 103  15.996  -5.215 -12.402
  781    HG2  PRO 103           HG2      PRO 103  17.058  -2.442 -12.063
  782    HG3  PRO 103           HG1      PRO 103  15.392  -2.980 -12.349
  783    HD2  PRO 103           HD2      PRO 103  16.274  -2.248  -9.905
  784    HD3  PRO 103           HD1      PRO 103  15.051  -3.514 -10.131
  785    HA   PRO 104           HA       PRO 104  21.758  -5.410 -10.298
  786    HB2  PRO 104           HB2      PRO 104  21.847  -7.459 -12.464
  787    HB3  PRO 104           HB1      PRO 104  22.701  -7.417 -10.916
  788    HG2  PRO 104           HG2      PRO 104  20.608  -9.020 -11.260
  789    HG3  PRO 104           HG1      PRO 104  20.850  -8.160  -9.727
  790    HD2  PRO 104           HD2      PRO 104  18.931  -7.590 -11.943
  791    HD3  PRO 104           HD1      PRO 104  18.720  -7.405 -10.189
  792    H    ALA 105           HN       ALA 105  23.047  -3.953 -11.189
  793    HA   ALA 105           HA       ALA 105  22.419  -2.738 -13.690
  794    HB1  ALA 105           HB1      ALA 105  24.887  -2.392 -11.985
  795    HB2  ALA 105           HB2      ALA 105  23.387  -1.479 -11.811
  796    HB3  ALA 105           HB3      ALA 105  24.349  -1.323 -13.280
  797    HA   PRO 106           HA       PRO 106  24.559  -5.845 -16.047
  798    HB2  PRO 106           HB2      PRO 106  24.139  -4.731 -18.491
  799    HB3  PRO 106           HB1      PRO 106  22.907  -5.642 -17.614
  800    HG2  PRO 106           HG2      PRO 106  23.270  -2.683 -17.847
  801    HG3  PRO 106           HG1      PRO 106  21.778  -3.639 -17.903
  802    HD2  PRO 106           HD2      PRO 106  22.567  -2.293 -15.687
  803    HD3  PRO 106           HD1      PRO 106  21.651  -3.810 -15.609
  804    H    ASN 107           HN       ASN 107  26.693  -5.575 -15.487
  805    HA   ASN 107           HA       ASN 107  28.206  -3.557 -16.983
  806    HB2  ASN 107           HB2      ASN 107  28.595  -3.883 -14.477
  807    HB3  ASN 107           HB1      ASN 107  29.316  -5.436 -14.890
  808   HD21  ASN 107          HD21      ASN 107  31.320  -4.789 -14.082
  809   HD22  ASN 107          HD22      ASN 107  32.329  -3.659 -14.933
  810    H    TRP 108           HN       TRP 108  30.004  -4.232 -18.282
  811    HA   TRP 108           HA       TRP 108  29.611  -6.966 -19.304
  812    HD1  TRP 108           HD1      TRP 108  27.458  -6.880 -21.499
  813    HE1  TRP 108           HE1      TRP 108  25.302  -5.464 -21.530
  814    HE3  TRP 108           HE3      TRP 108  29.442  -2.364 -20.155
  815    HZ2  TRP 108           HZ2      TRP 108  24.555  -2.794 -21.050
  816    HZ3  TRP 108           HZ3      TRP 108  27.932  -0.427 -19.967
  817    HH2  TRP 108           HH2      TRP 108  25.543  -0.640 -20.405
  818    HB2  TRP 108           HB2      TRP 108  30.444  -4.534 -20.900
  819    HB3  TRP 108           HB1      TRP 108  30.075  -6.136 -21.533
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1 -23.369   6.986  -4.620
    2    H2   GLY   1           HT2      GLY   1 -22.688   8.511  -4.342
    3    H3   GLY   1           HT3      GLY   1 -23.458   7.681  -3.079
    4    HA2  GLY   1           HA1      GLY   1 -21.777   5.990  -3.071
    5    HA3  GLY   1           HA2      GLY   1 -21.006   6.744  -4.460
    6    H    HIS   2           HN       HIS   2 -19.038   7.117  -3.423
    7    HA   HIS   2           HA       HIS   2 -19.066   8.775  -1.030
    8    HD1  HIS   2           HD1      HIS   2 -16.720   5.431  -2.929
    9    HD2  HIS   2           HD2      HIS   2 -15.405   9.326  -3.578
   10    HE1  HIS   2           HE1      HIS   2 -15.181   5.314  -4.918
   11    HE2  HIS   2           HE2      HIS   2 -14.556   7.707  -5.405
   12    HB2  HIS   2           HB2      HIS   2 -16.613   8.556  -1.042
   13    HB3  HIS   2           HB1      HIS   2 -17.404   6.990  -1.094
   14    H    MET   3           HN       MET   3 -18.961  10.904  -1.035
   15    HA   MET   3           HA       MET   3 -18.518  12.196  -3.628
   16    HB2  MET   3           HB2      MET   3 -19.976  13.132  -1.160
   17    HB3  MET   3           HB1      MET   3 -19.665  14.165  -2.550
   18    HG2  MET   3           HG2      MET   3 -20.915  12.614  -3.974
   19    HG3  MET   3           HG1      MET   3 -21.246  11.604  -2.569
   20    HE1  MET   3           HE1      MET   3 -22.706  12.359  -0.525
   21    HE2  MET   3           HE2      MET   3 -23.515  13.919  -0.401
   22    HE3  MET   3           HE3      MET   3 -21.756  13.830  -0.312
   23    H    SER   4           HN       SER   4 -16.201  11.577  -2.878
   24    HA   SER   4           HA       SER   4 -15.033  13.876  -1.481
   25    HG   SER   4           HG       SER   4 -12.632  13.550  -1.483
   26    HB2  SER   4           HB2      SER   4 -14.390  11.507  -0.804
   27    HB3  SER   4           HB1      SER   4 -13.614  11.358  -2.379
   28    H    GLY   5           HN       GLY   5 -14.306  15.461  -2.680
   29    HA2  GLY   5           HA2      GLY   5 -14.672  15.560  -5.435
   30    HA3  GLY   5           HA1      GLY   5 -13.754  16.720  -4.495
   31    H    PHE   6           HN       PHE   6 -11.668  14.938  -3.633
   32    HA   PHE   6           HA       PHE   6 -10.490  14.067  -6.168
   33    HD1  PHE   6           HD1      PHE   6  -9.150  13.663  -7.136
   34    HD2  PHE   6           HD2      PHE   6  -7.217  17.231  -5.850
   35    HE1  PHE   6           HE1      PHE   6  -7.477  13.397  -8.917
   36    HE2  PHE   6           HE2      PHE   6  -5.545  16.971  -7.634
   37    HZ   PHE   6           HZ       PHE   6  -5.699  15.103  -9.199
   38    HB2  PHE   6           HB2      PHE   6  -9.873  16.520  -5.460
   39    HB3  PHE   6           HB1      PHE   6  -8.788  15.714  -4.333
   40    H    LYS   7           HN       LYS   7 -10.101  12.025  -5.817
   41    HA   LYS   7           HA       LYS   7  -9.502  10.930  -3.241
   42    HB2  LYS   7           HB2      LYS   7  -9.304   8.793  -4.474
   43    HB3  LYS   7           HB1      LYS   7 -10.793   9.650  -4.849
   44    HG2  LYS   7           HG2      LYS   7  -9.982  10.323  -6.974
   45    HG3  LYS   7           HG1      LYS   7  -8.340   9.810  -6.582
   46    HD2  LYS   7           HD2      LYS   7  -9.090   7.482  -6.487
   47    HD3  LYS   7           HD1      LYS   7 -10.733   7.993  -6.875
   48    HE2  LYS   7           HE2      LYS   7  -8.399   8.593  -8.670
   49    HE3  LYS   7           HE1      LYS   7  -9.303   7.084  -8.779
   50    HZ1  LYS   7           HZ1      LYS   7 -11.293   8.305  -9.266
   51    HZ2  LYS   7           HZ2      LYS   7 -10.082   8.790 -10.341
   52    HZ3  LYS   7           HZ3      LYS   7 -10.504   9.792  -9.045
   53    H    HIS   8           HN       HIS   8  -7.592  12.438  -5.543
   54    HA   HIS   8           HA       HIS   8  -5.158  11.173  -4.500
   55    HD1  HIS   8           HD1      HIS   8  -3.292  12.783  -7.887
   56    HD2  HIS   8           HD2      HIS   8  -3.277   9.043  -6.071
   57    HE1  HIS   8           HE1      HIS   8  -0.930  11.952  -8.070
   58    HE2  HIS   8           HE2      HIS   8  -1.018   9.586  -7.210
   59    HB2  HIS   8           HB2      HIS   8  -5.749  10.234  -6.746
   60    HB3  HIS   8           HB1      HIS   8  -5.636  11.858  -7.412
   61    H    VAL   9           HN       VAL   9  -5.249  13.196  -3.167
   62    HA   VAL   9           HA       VAL   9  -4.306  15.525  -4.708
   63    HB   VAL   9           HB       VAL   9  -6.420  15.971  -3.574
   64   HG11  VAL   9          HG11      VAL   9  -6.215  14.365  -1.747
   65   HG12  VAL   9          HG12      VAL   9  -6.594  15.980  -1.146
   66   HG13  VAL   9          HG13      VAL   9  -4.949  15.354  -1.018
   67   HG21  VAL   9          HG21      VAL   9  -4.102  17.401  -2.280
   68   HG22  VAL   9          HG22      VAL   9  -5.766  17.983  -2.347
   69   HG23  VAL   9          HG23      VAL   9  -4.835  17.803  -3.834
   70    H    SER  10           HN       SER  10  -3.671  13.431  -1.988
   71    HA   SER  10           HA       SER  10  -1.508  15.019  -0.954
   72    HG   SER  10           HG       SER  10  -3.481  13.017   1.348
   73    HB2  SER  10           HB2      SER  10  -2.142  12.136  -0.308
   74    HB3  SER  10           HB1      SER  10  -1.300  13.312   0.704
   75    H    HIS  11           HN       HIS  11  -1.683  13.330  -3.713
   76    HA   HIS  11           HA       HIS  11  -0.337  12.090  -5.052
   77    HD1  HIS  11           HD1      HIS  11   2.027  15.627  -3.777
   78    HD2  HIS  11           HD2      HIS  11   0.870  13.416  -7.104
   79    HE1  HIS  11           HE1      HIS  11   1.813  17.290  -5.660
   80    HE2  HIS  11           HE2      HIS  11   1.060  15.938  -7.648
   81    HB2  HIS  11           HB2      HIS  11   1.791  13.244  -3.249
   82    HB3  HIS  11           HB1      HIS  11   2.169  12.213  -4.622
   83    H    VAL  12           HN       VAL  12  -1.145  11.262  -2.104
   84    HA   VAL  12           HA       VAL  12  -1.339   9.306  -0.997
   85    HB   VAL  12           HB       VAL  12   0.090   8.034  -3.321
   86   HG11  VAL  12          HG11      VAL  12  -0.013   6.575  -1.390
   87   HG12  VAL  12          HG12      VAL  12  -1.113   6.000  -2.644
   88   HG13  VAL  12          HG13      VAL  12  -1.746   6.865  -1.242
   89   HG21  VAL  12          HG21      VAL  12  -2.854   8.499  -2.897
   90   HG22  VAL  12          HG22      VAL  12  -2.144   7.564  -4.214
   91   HG23  VAL  12          HG23      VAL  12  -1.834   9.297  -4.094
   92    H    GLY  13           HN       GLY  13   1.627  10.676  -1.737
   93    HA2  GLY  13           HA2      GLY  13   3.686  10.598  -0.697
   94    HA3  GLY  13           HA1      GLY  13   2.987   9.492   0.485
   95    H    TRP  14           HN       TRP  14   2.815   8.943  -2.934
   96    HA   TRP  14           HA       TRP  14   4.613   6.638  -2.638
   97    HD1  TRP  14           HD1      TRP  14   3.949   3.628  -3.186
   98    HE1  TRP  14           HE1      TRP  14   4.012   2.233  -5.348
   99    HE3  TRP  14           HE3      TRP  14   1.609   6.914  -6.317
  100    HZ2  TRP  14           HZ2      TRP  14   3.176   2.511  -8.037
  101    HZ3  TRP  14           HZ3      TRP  14   1.279   6.274  -8.668
  102    HH2  TRP  14           HH2      TRP  14   2.046   4.115  -9.508
  103    HB2  TRP  14           HB2      TRP  14   2.396   5.775  -2.523
  104    HB3  TRP  14           HB1      TRP  14   1.855   6.790  -3.853
  105    H    ASP  15           HN       ASP  15   5.960   6.223  -4.294
  106    HA   ASP  15           HA       ASP  15   5.588   7.706  -6.813
  107    HB2  ASP  15           HB2      ASP  15   8.080   7.233  -5.213
  108    HB3  ASP  15           HB1      ASP  15   8.186   7.382  -6.964
  109    HA   PRO  16           HA       PRO  16   4.752   3.854  -8.634
  110    HB2  PRO  16           HB2      PRO  16   6.500   4.898 -10.825
  111    HB3  PRO  16           HB1      PRO  16   4.909   4.134 -10.924
  112    HG2  PRO  16           HG2      PRO  16   5.131   6.769 -11.118
  113    HG3  PRO  16           HG1      PRO  16   3.798   6.041 -10.199
  114    HD2  PRO  16           HD2      PRO  16   6.244   7.424  -9.218
  115    HD3  PRO  16           HD1      PRO  16   4.623   7.342  -8.498
  116    H    GLN  17           HN       GLN  17   8.154   4.869  -9.023
  117    HA   GLN  17           HA       GLN  17   8.901   2.031  -9.116
  118    HB2  GLN  17           HB2      GLN  17  10.590   4.418  -9.828
  119    HB3  GLN  17           HB1      GLN  17  10.941   2.727 -10.151
  120    HG2  GLN  17           HG2      GLN  17   8.618   4.235 -11.308
  121    HG3  GLN  17           HG1      GLN  17  10.155   3.977 -12.130
  122   HE21  GLN  17          HE21      GLN  17  10.676   1.909 -12.856
  123   HE22  GLN  17          HE22      GLN  17   9.477   0.670 -13.028
  124    H    ASN  18           HN       ASN  18   8.707   4.446  -6.870
  125    HA   ASN  18           HA       ASN  18  11.167   3.611  -5.483
  126    HB2  ASN  18           HB2      ASN  18   9.555   6.146  -5.218
  127    HB3  ASN  18           HB1      ASN  18  10.855   5.696  -4.121
  128   HD21  ASN  18          HD21      ASN  18  12.975   5.766  -4.829
  129   HD22  ASN  18          HD22      ASN  18  13.441   6.549  -6.299
  130    H    GLY  19           HN       GLY  19   7.705   4.065  -5.120
  131    HA2  GLY  19           HA2      GLY  19   6.490   2.444  -3.806
  132    HA3  GLY  19           HA1      GLY  19   7.850   2.400  -2.696
  133    H    PHE  20           HN       PHE  20   6.155   2.722  -1.109
  134    HA   PHE  20           HA       PHE  20   5.006   5.393  -0.927
  135    HD1  PHE  20           HD2      PHE  20   2.161   5.329  -0.012
  136    HD2  PHE  20           HD1      PHE  20   3.863   1.521  -0.849
  137    HE1  PHE  20           HE2      PHE  20   0.145   4.706  -1.275
  138    HE2  PHE  20           HE1      PHE  20   1.850   0.899  -2.112
  139    HZ   PHE  20           HZ       PHE  20  -0.011   2.489  -2.325
  140    HB2  PHE  20           HB2      PHE  20   4.795   2.945   0.844
  141    HB3  PHE  20           HB1      PHE  20   4.063   4.492   1.247
  142    H    ASP  21           HN       ASP  21   5.831   6.986   0.289
  143    HA   ASP  21           HA       ASP  21   8.355   6.602   1.628
  144    HB2  ASP  21           HB2      ASP  21   7.581   8.725   0.402
  145    HB3  ASP  21           HB1      ASP  21   6.590   9.049   1.820
  146    H    VAL  22           HN       VAL  22   7.685   5.002   3.117
  147    HA   VAL  22           HA       VAL  22   5.585   5.037   4.923
  148    HB   VAL  22           HB       VAL  22   6.948   3.074   4.615
  149   HG11  VAL  22          HG11      VAL  22   9.234   4.621   5.818
  150   HG12  VAL  22          HG12      VAL  22   9.085   4.081   4.145
  151   HG13  VAL  22          HG13      VAL  22   9.257   2.897   5.440
  152   HG21  VAL  22          HG21      VAL  22   7.304   4.045   7.449
  153   HG22  VAL  22          HG22      VAL  22   7.408   2.368   6.910
  154   HG23  VAL  22          HG23      VAL  22   5.877   3.237   6.798
  155    H    ASN  23           HN       ASN  23   8.534   6.928   5.062
  156    HA   ASN  23           HA       ASN  23   8.382   7.581   7.826
  157    HB2  ASN  23           HB2      ASN  23  10.457   7.860   6.552
  158    HB3  ASN  23           HB1      ASN  23   9.687   9.094   5.557
  159   HD21  ASN  23          HD21      ASN  23   9.398  11.133   6.359
  160   HD22  ASN  23          HD22      ASN  23  10.124  11.672   7.835
  161    H    ASN  24           HN       ASN  24   7.125   9.049   4.885
  162    HA   ASN  24           HA       ASN  24   5.517  10.891   6.537
  163    HB2  ASN  24           HB2      ASN  24   6.529  11.272   3.704
  164    HB3  ASN  24           HB1      ASN  24   5.432  12.369   4.533
  165   HD21  ASN  24          HD21      ASN  24   6.204  13.571   6.301
  166   HD22  ASN  24          HD22      ASN  24   7.903  13.869   6.505
  167    H    LEU  25           HN       LEU  25   4.692   8.374   6.247
  168    HA   LEU  25           HA       LEU  25   2.954   8.179   3.915
  169    HG   LEU  25           HG       LEU  25   2.398   5.743   6.383
  170    HB2  LEU  25           HB2      LEU  25   3.903   6.167   3.866
  171    HB3  LEU  25           HB1      LEU  25   4.647   6.419   5.428
  172   HD11  LEU  25          HD11      LEU  25   1.211   5.901   4.211
  173   HD12  LEU  25          HD12      LEU  25   1.029   4.323   4.985
  174   HD13  LEU  25          HD13      LEU  25   2.164   4.526   3.648
  175   HD21  LEU  25          HD21      LEU  25   2.971   3.353   6.212
  176   HD22  LEU  25          HD22      LEU  25   4.356   4.372   6.603
  177   HD23  LEU  25          HD23      LEU  25   4.147   3.760   4.961
  178    H    ASP  26           HN       ASP  26   0.809   8.101   4.090
  179    HA   ASP  26           HA       ASP  26  -0.460   9.439   6.154
  180    HB2  ASP  26           HB2      ASP  26  -1.304   9.171   3.819
  181    HB3  ASP  26           HB1      ASP  26  -1.758   7.516   4.214
  182    HA   PRO  27           HA       PRO  27  -0.789   6.661   9.544
  183    HB2  PRO  27           HB2      PRO  27  -3.331   8.148   9.989
  184    HB3  PRO  27           HB1      PRO  27  -1.990   7.850  11.100
  185    HG2  PRO  27           HG2      PRO  27  -2.314  10.236   9.979
  186    HG3  PRO  27           HG1      PRO  27  -0.694   9.548  10.199
  187    HD2  PRO  27           HD2      PRO  27  -2.339   9.775   7.719
  188    HD3  PRO  27           HD1      PRO  27  -0.584   9.922   7.926
  189    H    ASP  28           HN       ASP  28  -3.729   7.214   7.572
  190    HA   ASP  28           HA       ASP  28  -5.025   4.865   8.574
  191    HB2  ASP  28           HB2      ASP  28  -5.609   6.778   6.352
  192    HB3  ASP  28           HB1      ASP  28  -6.428   5.220   6.368
  193    H    LEU  29           HN       LEU  29  -3.087   5.620   5.725
  194    HA   LEU  29           HA       LEU  29  -3.300   3.085   4.505
  195    HG   LEU  29           HG       LEU  29  -3.126   6.019   3.500
  196    HB2  LEU  29           HB2      LEU  29  -1.042   5.086   4.430
  197    HB3  LEU  29           HB1      LEU  29  -1.193   3.706   3.360
  198   HD11  LEU  29          HD11      LEU  29  -2.197   6.562   1.276
  199   HD12  LEU  29          HD12      LEU  29  -0.978   5.305   1.511
  200   HD13  LEU  29          HD13      LEU  29  -1.017   6.710   2.579
  201   HD21  LEU  29          HD21      LEU  29  -4.211   3.924   2.857
  202   HD22  LEU  29          HD22      LEU  29  -2.988   3.664   1.613
  203   HD23  LEU  29          HD23      LEU  29  -4.099   5.026   1.486
  204    H    ARG  30           HN       ARG  30  -1.023   4.447   6.839
  205    HA   ARG  30           HA       ARG  30   0.682   2.268   7.146
  206    HE   ARG  30           HE       ARG  30   2.770   2.456  11.818
  207    HB2  ARG  30           HB2      ARG  30   1.050   4.516   8.112
  208    HB3  ARG  30           HB1      ARG  30  -0.244   4.228   9.260
  209    HG2  ARG  30           HG2      ARG  30   2.099   2.376   9.179
  210    HG3  ARG  30           HG1      ARG  30   2.241   3.942   9.976
  211    HD2  ARG  30           HD2      ARG  30   0.266   3.363  11.355
  212    HD3  ARG  30           HD1      ARG  30   0.252   1.767  10.608
  213   HH11  ARG  30          HH11      ARG  30  -0.411   1.106  12.380
  214   HH12  ARG  30          HH12      ARG  30   0.078   0.195  13.776
  215   HH21  ARG  30          HH21      ARG  30   3.415   1.303  13.681
  216   HH22  ARG  30          HH22      ARG  30   2.247   0.330  14.535
  217    H    SER  31           HN       SER  31  -2.412   2.978   8.708
  218    HA   SER  31           HA       SER  31  -2.579   0.770  10.408
  219    HG   SER  31           HG       SER  31  -5.666   0.346   9.881
  220    HB2  SER  31           HB2      SER  31  -4.174   2.679  10.431
  221    HB3  SER  31           HB1      SER  31  -4.832   2.125   8.898
  222    H    LEU  32           HN       LEU  32  -3.620   1.154   7.049
  223    HA   LEU  32           HA       LEU  32  -4.842  -1.363   6.779
  224    HG   LEU  32           HG       LEU  32  -3.937  -1.712   3.729
  225    HB2  LEU  32           HB2      LEU  32  -5.329   0.468   5.279
  226    HB3  LEU  32           HB1      LEU  32  -3.668   0.504   4.725
  227   HD11  LEU  32          HD11      LEU  32  -6.174  -2.705   3.572
  228   HD12  LEU  32          HD12      LEU  32  -6.783  -1.467   4.671
  229   HD13  LEU  32          HD13      LEU  32  -5.581  -2.631   5.232
  230   HD21  LEU  32          HD21      LEU  32  -5.640  -1.076   1.991
  231   HD22  LEU  32          HD22      LEU  32  -4.337   0.084   2.249
  232   HD23  LEU  32          HD23      LEU  32  -5.935   0.386   2.933
  233    H    PHE  33           HN       PHE  33  -1.689  -0.204   5.671
  234    HA   PHE  33           HA       PHE  33  -1.002  -2.564   4.319
  235    HD1  PHE  33           HD2      PHE  33  -1.675  -1.244   2.997
  236    HD2  PHE  33           HD1      PHE  33   1.545   1.395   3.947
  237    HE1  PHE  33           HE2      PHE  33  -2.487   0.350   1.315
  238    HE2  PHE  33           HE1      PHE  33   0.726   2.984   2.262
  239    HZ   PHE  33           HZ       PHE  33  -1.173   2.527   0.950
  240    HB2  PHE  33           HB2      PHE  33   0.869  -0.481   5.457
  241    HB3  PHE  33           HB1      PHE  33   1.243  -1.633   4.181
  242    H    SER  34           HN       SER  34  -0.377  -1.507   7.620
  243    HA   SER  34           HA       SER  34   1.357  -3.587   8.372
  244    HG   SER  34           HG       SER  34   0.801  -4.089  10.760
  245    HB2  SER  34           HB2      SER  34   1.142  -1.618   9.737
  246    HB3  SER  34           HB1      SER  34  -0.572  -1.925  10.005
  247    H    ARG  35           HN       ARG  35  -2.083  -3.475   7.944
  248    HA   ARG  35           HA       ARG  35  -2.601  -5.887   9.420
  249    HE   ARG  35           HE       ARG  35  -5.161  -1.996  11.147
  250    HB2  ARG  35           HB2      ARG  35  -4.276  -4.140   7.639
  251    HB3  ARG  35           HB1      ARG  35  -4.884  -5.658   8.292
  252    HG2  ARG  35           HG2      ARG  35  -4.806  -4.892  10.473
  253    HG3  ARG  35           HG1      ARG  35  -3.713  -3.569  10.072
  254    HD2  ARG  35           HD2      ARG  35  -5.592  -2.609   8.686
  255    HD3  ARG  35           HD1      ARG  35  -6.637  -3.837   9.402
  256   HH11  ARG  35          HH11      ARG  35  -8.224  -3.191   9.894
  257   HH12  ARG  35          HH12      ARG  35  -9.162  -2.331  11.083
  258   HH21  ARG  35          HH21      ARG  35  -6.393  -0.887  12.681
  259   HH22  ARG  35          HH22      ARG  35  -8.131  -1.027  12.668
  260    H    ALA  36           HN       ALA  36  -2.068  -4.953   6.089
  261    HA   ALA  36           HA       ALA  36  -2.926  -7.421   4.944
  262    HB1  ALA  36           HB1      ALA  36  -3.034  -5.549   3.521
  263    HB2  ALA  36           HB2      ALA  36  -1.711  -6.530   2.897
  264    HB3  ALA  36           HB3      ALA  36  -1.365  -5.094   3.860
  265    H    GLY  37           HN       GLY  37   0.081  -6.244   6.247
  266    HA2  GLY  37           HA2      GLY  37   1.723  -7.961   6.900
  267    HA3  GLY  37           HA1      GLY  37   1.370  -8.756   5.372
  268    H    ILE  38           HN       ILE  38   1.267  -5.652   4.601
  269    HA   ILE  38           HA       ILE  38   3.679  -5.593   3.183
  270    HB   ILE  38           HB       ILE  38   1.973  -3.239   4.004
  271   HG12  ILE  38          HG12      ILE  38   1.728  -4.878   1.482
  272   HG13  ILE  38          HG11      ILE  38   0.748  -5.181   2.912
  273   HG21  ILE  38          HG21      ILE  38   3.778  -3.629   1.622
  274   HG22  ILE  38          HG22      ILE  38   4.167  -2.677   3.056
  275   HG23  ILE  38          HG23      ILE  38   2.839  -2.186   2.005
  276   HD11  ILE  38          HD11      ILE  38  -0.425  -3.847   1.249
  277   HD12  ILE  38          HD12      ILE  38   0.826  -2.610   1.361
  278   HD13  ILE  38          HD13      ILE  38  -0.196  -2.962   2.755
  279    H    SER  39           HN       SER  39   5.646  -5.424   4.021
  280    HA   SER  39           HA       SER  39   6.076  -4.161   6.589
  281    HG   SER  39           HG       SER  39   8.230  -6.496   4.240
  282    HB2  SER  39           HB2      SER  39   8.355  -5.013   6.402
  283    HB3  SER  39           HB1      SER  39   7.198  -6.298   6.047
  284    H    GLU  40           HN       GLU  40   8.259  -2.841   6.664
  285    HA   GLU  40           HA       GLU  40   8.079  -0.489   5.184
  286    HB2  GLU  40           HB2      GLU  40   9.392  -0.759   7.275
  287    HB3  GLU  40           HB1      GLU  40  10.564  -1.726   6.391
  288    HG2  GLU  40           HG2      GLU  40  10.872   0.298   4.892
  289    HG3  GLU  40           HG1      GLU  40   9.968   1.196   6.108
  290    H    ALA  41           HN       ALA  41   9.890  -3.456   4.618
  291    HA   ALA  41           HA       ALA  41  11.357  -2.579   2.365
  292    HB1  ALA  41           HB1      ALA  41  11.861  -4.923   1.994
  293    HB2  ALA  41           HB2      ALA  41  10.574  -5.398   3.101
  294    HB3  ALA  41           HB3      ALA  41  11.988  -4.539   3.712
  295    H    GLN  42           HN       GLN  42   8.176  -3.934   2.785
  296    HA   GLN  42           HA       GLN  42   7.749  -4.403  -0.013
  297    HB2  GLN  42           HB2      GLN  42   6.091  -4.598   2.441
  298    HB3  GLN  42           HB1      GLN  42   5.252  -4.402   0.912
  299    HG2  GLN  42           HG2      GLN  42   6.507  -6.385   0.060
  300    HG3  GLN  42           HG1      GLN  42   7.116  -6.620   1.700
  301   HE21  GLN  42          HE21      GLN  42   6.088  -8.639   1.793
  302   HE22  GLN  42          HE22      GLN  42   4.376  -8.772   2.038
  303    H    LEU  43           HN       LEU  43   6.894  -1.856   2.278
  304    HA   LEU  43           HA       LEU  43   5.370  -0.333   0.460
  305    HG   LEU  43           HG       LEU  43   4.781  -0.781   3.364
  306    HB2  LEU  43           HB2      LEU  43   6.873   0.385   2.961
  307    HB3  LEU  43           HB1      LEU  43   6.040   1.601   2.006
  308   HD11  LEU  43          HD11      LEU  43   3.650   0.875   4.722
  309   HD12  LEU  43          HD12      LEU  43   4.467   2.175   3.855
  310   HD13  LEU  43          HD13      LEU  43   5.398   1.066   4.863
  311   HD21  LEU  43          HD21      LEU  43   2.656   0.158   2.570
  312   HD22  LEU  43          HD22      LEU  43   3.694  -0.356   1.240
  313   HD23  LEU  43          HD23      LEU  43   3.549   1.357   1.633
  314    H    THR  44           HN       THR  44   8.767  -0.789   0.835
  315    HA   THR  44           HA       THR  44   9.264   1.416  -1.042
  316    HB   THR  44           HB       THR  44  11.701   1.068  -0.384
  317    HG1  THR  44           HG1      THR  44  10.562  -0.258   1.866
  318   HG21  THR  44          HG21      THR  44  10.398   2.956   0.449
  319   HG22  THR  44          HG22      THR  44  11.459   2.340   1.715
  320   HG23  THR  44          HG23      THR  44   9.739   1.954   1.743
  321    H    ASP  45           HN       ASP  45   8.365  -1.521  -1.340
  322    HA   ASP  45           HA       ASP  45  10.384  -2.543  -3.170
  323    HB2  ASP  45           HB2      ASP  45   9.133  -4.093  -1.671
  324    HB3  ASP  45           HB1      ASP  45   7.644  -3.629  -2.477
  325    H    ALA  46           HN       ALA  46  10.236  -2.412  -5.379
  326    HA   ALA  46           HA       ALA  46   8.653  -0.519  -6.646
  327    HB1  ALA  46           HB1      ALA  46   9.509  -1.256  -8.640
  328    HB2  ALA  46           HB2      ALA  46   9.412  -2.959  -8.172
  329    HB3  ALA  46           HB3      ALA  46  10.699  -1.930  -7.516
  330    H    GLU  47           HN       GLU  47   8.218  -4.019  -6.545
  331    HA   GLU  47           HA       GLU  47   5.929  -3.961  -8.220
  332    HB2  GLU  47           HB2      GLU  47   7.622  -5.850  -7.904
  333    HB3  GLU  47           HB1      GLU  47   6.723  -6.240  -6.438
  334    HG2  GLU  47           HG2      GLU  47   4.797  -6.757  -7.613
  335    HG3  GLU  47           HG1      GLU  47   5.365  -5.920  -9.053
  336    H    THR  48           HN       THR  48   6.379  -4.779  -4.801
  337    HA   THR  48           HA       THR  48   3.761  -5.163  -4.109
  338    HB   THR  48           HB       THR  48   5.801  -3.802  -2.340
  339    HG1  THR  48           HG1      THR  48   6.724  -5.665  -3.251
  340   HG21  THR  48          HG21      THR  48   3.448  -5.609  -1.758
  341   HG22  THR  48          HG22      THR  48   3.557  -3.885  -1.398
  342   HG23  THR  48          HG23      THR  48   4.605  -5.029  -0.560
  343    H    SER  49           HN       SER  49   5.479  -2.039  -3.641
  344    HA   SER  49           HA       SER  49   3.234  -0.695  -2.633
  345    HG   SER  49           HG       SER  49   6.548  -0.137  -4.232
  346    HB2  SER  49           HB2      SER  49   4.530   1.350  -2.949
  347    HB3  SER  49           HB1      SER  49   5.555   0.064  -2.310
  348    H    LYS  50           HN       LYS  50   4.505  -0.847  -5.923
  349    HA   LYS  50           HA       LYS  50   2.888   1.144  -7.047
  350    HB2  LYS  50           HB2      LYS  50   4.958   0.083  -8.020
  351    HB3  LYS  50           HB1      LYS  50   3.969  -1.304  -8.440
  352    HG2  LYS  50           HG2      LYS  50   2.686  -0.018  -9.978
  353    HG3  LYS  50           HG1      LYS  50   3.438   1.484  -9.434
  354    HD2  LYS  50           HD2      LYS  50   5.615   0.652 -10.214
  355    HD3  LYS  50           HD1      LYS  50   4.833  -0.814 -10.796
  356    HE2  LYS  50           HE2      LYS  50   3.527   0.467 -12.375
  357    HE3  LYS  50           HE1      LYS  50   4.195   1.969 -11.740
  358    HZ1  LYS  50           HZ1      LYS  50   6.361   1.357 -12.511
  359    HZ2  LYS  50           HZ2      LYS  50   5.284   1.201 -13.811
  360    HZ3  LYS  50           HZ3      LYS  50   5.826  -0.176 -12.987
  361    H    LEU  51           HN       LEU  51   2.374  -2.309  -6.602
  362    HA   LEU  51           HA       LEU  51  -0.154  -2.251  -7.983
  363    HG   LEU  51           HG       LEU  51   2.131  -3.795  -8.709
  364    HB2  LEU  51           HB2      LEU  51   1.262  -4.385  -6.400
  365    HB3  LEU  51           HB1      LEU  51  -0.310  -4.621  -7.149
  366   HD11  LEU  51          HD11      LEU  51   1.035  -6.554  -8.220
  367   HD12  LEU  51          HD12      LEU  51   2.600  -5.930  -7.694
  368   HD13  LEU  51          HD13      LEU  51   2.268  -6.147  -9.415
  369   HD21  LEU  51          HD21      LEU  51  -0.531  -4.961  -9.523
  370   HD22  LEU  51          HD22      LEU  51   0.814  -4.615 -10.612
  371   HD23  LEU  51          HD23      LEU  51  -0.002  -3.297  -9.770
  372    H    ILE  52           HN       ILE  52   0.964  -2.070  -4.643
  373    HA   ILE  52           HA       ILE  52  -1.502  -2.269  -3.352
  374    HB   ILE  52           HB       ILE  52   0.807  -0.432  -2.700
  375   HG12  ILE  52          HG12      ILE  52   0.030  -3.087  -1.481
  376   HG13  ILE  52          HG11      ILE  52   1.280  -2.885  -2.705
  377   HG21  ILE  52          HG21      ILE  52  -1.211   0.396  -1.675
  378   HG22  ILE  52          HG22      ILE  52  -0.178  -0.336  -0.443
  379   HG23  ILE  52          HG23      ILE  52  -1.588  -1.209  -1.046
  380   HD11  ILE  52          HD11      ILE  52   1.267  -1.838   0.104
  381   HD12  ILE  52          HD12      ILE  52   2.431  -1.321  -1.117
  382   HD13  ILE  52          HD13      ILE  52   2.367  -3.011  -0.617
  383    H    TYR  53           HN       TYR  53   0.057   0.597  -4.792
  384    HA   TYR  53           HA       TYR  53  -2.032   2.382  -4.222
  385    HD1  TYR  53           HD2      TYR  53  -1.884   4.947  -4.495
  386    HD2  TYR  53           HD1      TYR  53  -0.802   3.462  -8.331
  387    HE1  TYR  53           HE2      TYR  53  -3.090   6.814  -5.555
  388    HE2  TYR  53           HE1      TYR  53  -2.014   5.316  -9.401
  389    HH   TYR  53           HH       TYR  53  -3.880   6.843  -8.843
  390    HB2  TYR  53           HB2      TYR  53   0.075   3.293  -4.905
  391    HB3  TYR  53           HB1      TYR  53   0.025   2.411  -6.433
  392    H    ASP  54           HN       ASP  54  -1.380   0.428  -7.108
  393    HA   ASP  54           HA       ASP  54  -3.562   1.162  -8.664
  394    HB2  ASP  54           HB2      ASP  54  -1.860  -0.233  -9.610
  395    HB3  ASP  54           HB1      ASP  54  -2.103  -1.474  -8.387
  396    H    PHE  55           HN       PHE  55  -3.332  -1.099  -6.009
  397    HA   PHE  55           HA       PHE  55  -5.961  -2.109  -6.084
  398    HD1  PHE  55           HD1      PHE  55  -6.714  -4.182  -4.299
  399    HD2  PHE  55           HD2      PHE  55  -4.834  -1.189  -1.914
  400    HE1  PHE  55           HE1      PHE  55  -8.259  -4.680  -2.450
  401    HE2  PHE  55           HE2      PHE  55  -6.380  -1.687  -0.067
  402    HZ   PHE  55           HZ       PHE  55  -8.099  -3.387  -0.332
  403    HB2  PHE  55           HB2      PHE  55  -4.409  -3.296  -4.772
  404    HB3  PHE  55           HB1      PHE  55  -3.868  -1.844  -3.938
  405    H    ILE  56           HN       ILE  56  -4.519   0.571  -4.259
  406    HA   ILE  56           HA       ILE  56  -6.795   1.309  -2.816
  407    HB   ILE  56           HB       ILE  56  -4.420   2.951  -3.696
  408   HG12  ILE  56          HG12      ILE  56  -5.082   1.655  -1.046
  409   HG13  ILE  56          HG11      ILE  56  -4.029   0.940  -2.260
  410   HG21  ILE  56          HG21      ILE  56  -6.502   3.621  -1.617
  411   HG22  ILE  56          HG22      ILE  56  -6.286   4.436  -3.165
  412   HG23  ILE  56          HG23      ILE  56  -5.028   4.534  -1.933
  413   HD11  ILE  56          HD11      ILE  56  -3.552   3.528  -0.810
  414   HD12  ILE  56          HD12      ILE  56  -2.498   2.818  -2.033
  415   HD13  ILE  56          HD13      ILE  56  -2.755   1.985  -0.500
  416    H    GLU  57           HN       GLU  57  -5.698   2.280  -6.024
  417    HA   GLU  57           HA       GLU  57  -7.721   4.270  -6.375
  418    HB2  GLU  57           HB2      GLU  57  -5.459   3.985  -7.641
  419    HB3  GLU  57           HB1      GLU  57  -6.359   2.857  -8.646
  420    HG2  GLU  57           HG2      GLU  57  -7.921   4.577  -9.279
  421    HG3  GLU  57           HG1      GLU  57  -7.153   5.720  -8.181
  422    H    ASP  58           HN       ASP  58  -7.608   0.871  -6.581
  423    HA   ASP  58           HA       ASP  58  -9.727   0.447  -8.431
  424    HB2  ASP  58           HB2      ASP  58  -8.114  -1.303  -8.034
  425    HB3  ASP  58           HB1      ASP  58  -8.507  -1.338  -6.323
  426    H    GLN  59           HN       GLN  59  -9.572   0.823  -4.914
  427    HA   GLN  59           HA       GLN  59 -12.366   0.279  -4.530
  428    HB2  GLN  59           HB2      GLN  59 -10.284   1.546  -2.760
  429    HB3  GLN  59           HB1      GLN  59 -11.968   1.429  -2.279
  430    HG2  GLN  59           HG2      GLN  59 -10.759  -0.367  -1.271
  431    HG3  GLN  59           HG1      GLN  59 -11.807  -1.033  -2.524
  432   HE21  GLN  59          HE21      GLN  59 -10.909  -2.075  -4.241
  433   HE22  GLN  59          HE22      GLN  59  -9.214  -2.336  -4.421
  434    H    GLY  60           HN       GLY  60 -10.544   2.983  -5.562
  435    HA2  GLY  60           HA2      GLY  60 -11.905   4.709  -6.689
  436    HA3  GLY  60           HA1      GLY  60 -12.952   4.671  -5.279
  437    H    GLY  61           HN       GLY  61  -9.574   4.439  -4.658
  438    HA2  GLY  61           HA2      GLY  61  -8.046   6.341  -4.685
  439    HA3  GLY  61           HA1      GLY  61  -9.419   7.363  -4.297
  440    H    LEU  62           HN       LEU  62  -7.584   7.951  -2.707
  441    HA   LEU  62           HA       LEU  62  -6.847   6.239  -0.619
  442    HG   LEU  62           HG       LEU  62  -5.416   8.364  -2.294
  443    HB2  LEU  62           HB2      LEU  62  -7.046   9.244  -0.659
  444    HB3  LEU  62           HB1      LEU  62  -6.257   8.316   0.602
  445   HD11  LEU  62          HD11      LEU  62  -3.503   9.647  -1.499
  446   HD12  LEU  62          HD12      LEU  62  -4.174   9.649   0.133
  447   HD13  LEU  62          HD13      LEU  62  -5.014  10.494  -1.168
  448   HD21  LEU  62          HD21      LEU  62  -4.906   6.249  -1.206
  449   HD22  LEU  62          HD22      LEU  62  -4.141   7.107   0.131
  450   HD23  LEU  62          HD23      LEU  62  -3.434   7.179  -1.483
  451    H    GLU  63           HN       GLU  63  -9.379   8.725  -0.689
  452    HA   GLU  63           HA       GLU  63 -10.177   8.394   1.978
  453    HB2  GLU  63           HB2      GLU  63 -11.807   9.422  -0.351
  454    HB3  GLU  63           HB1      GLU  63 -12.186   9.654   1.351
  455    HG2  GLU  63           HG2      GLU  63  -9.790  10.730  -0.117
  456    HG3  GLU  63           HG1      GLU  63 -11.185  11.648   0.446
  457    H    ALA  64           HN       ALA  64 -11.076   6.689  -0.928
  458    HA   ALA  64           HA       ALA  64 -13.449   5.495   0.051
  459    HB1  ALA  64           HB1      ALA  64 -11.589   4.485  -2.097
  460    HB2  ALA  64           HB2      ALA  64 -12.901   5.639  -2.340
  461    HB3  ALA  64           HB3      ALA  64 -13.261   3.987  -1.841
  462    H    VAL  65           HN       VAL  65 -10.062   4.520   0.069
  463    HA   VAL  65           HA       VAL  65 -10.478   1.929   1.157
  464    HB   VAL  65           HB       VAL  65  -8.024   3.701   1.204
  465   HG11  VAL  65          HG11      VAL  65  -8.257   0.745   1.766
  466   HG12  VAL  65          HG12      VAL  65  -7.926   1.999   2.962
  467   HG13  VAL  65          HG13      VAL  65  -6.759   1.672   1.680
  468   HG21  VAL  65          HG21      VAL  65  -8.816   1.428  -0.615
  469   HG22  VAL  65          HG22      VAL  65  -7.272   2.280  -0.650
  470   HG23  VAL  65          HG23      VAL  65  -8.760   3.139  -1.044
  471    H    ARG  66           HN       ARG  66 -10.129   5.116   2.499
  472    HA   ARG  66           HA       ARG  66  -9.757   4.328   5.209
  473    HE   ARG  66           HE       ARG  66  -8.158   8.127   6.256
  474    HB2  ARG  66           HB2      ARG  66 -10.908   6.909   4.131
  475    HB3  ARG  66           HB1      ARG  66 -10.236   6.655   5.739
  476    HG2  ARG  66           HG2      ARG  66  -8.041   6.302   4.816
  477    HG3  ARG  66           HG1      ARG  66  -8.680   6.395   3.175
  478    HD2  ARG  66           HD2      ARG  66  -7.749   8.503   3.556
  479    HD3  ARG  66           HD1      ARG  66  -9.478   8.732   3.805
  480   HH11  ARG  66          HH11      ARG  66  -8.678  10.720   3.939
  481   HH12  ARG  66          HH12      ARG  66  -8.438  11.973   5.126
  482   HH21  ARG  66          HH21      ARG  66  -7.819   9.780   7.782
  483   HH22  ARG  66          HH22      ARG  66  -7.943  11.444   7.288
  484    H    GLN  67           HN       GLN  67 -12.505   4.729   3.118
  485    HA   GLN  67           HA       GLN  67 -14.508   4.594   5.146
  486    HB2  GLN  67           HB2      GLN  67 -14.659   3.903   2.212
  487    HB3  GLN  67           HB1      GLN  67 -16.034   4.049   3.294
  488    HG2  GLN  67           HG2      GLN  67 -15.553   6.398   3.633
  489    HG3  GLN  67           HG1      GLN  67 -14.130   6.267   2.597
  490   HE21  GLN  67          HE21      GLN  67 -17.604   6.218   2.709
  491   HE22  GLN  67          HE22      GLN  67 -17.861   6.472   1.018
  492    H    GLU  68           HN       GLU  68 -12.777   2.246   3.191
  493    HA   GLU  68           HA       GLU  68 -14.231  -0.056   3.785
  494    HB2  GLU  68           HB2      GLU  68 -11.236   0.114   3.444
  495    HB3  GLU  68           HB1      GLU  68 -12.235  -1.314   3.227
  496    HG2  GLU  68           HG2      GLU  68 -12.206   1.153   1.526
  497    HG3  GLU  68           HG1      GLU  68 -11.607  -0.442   1.096
  498    H    MET  69           HN       MET  69 -12.043   1.795   5.708
  499    HA   MET  69           HA       MET  69 -11.334  -0.085   7.664
  500    HB2  MET  69           HB2      MET  69 -11.662   2.911   7.763
  501    HB3  MET  69           HB1      MET  69 -11.128   1.984   9.155
  502    HG2  MET  69           HG2      MET  69  -9.732   1.979   6.494
  503    HG3  MET  69           HG1      MET  69  -9.304   3.039   7.834
  504    HE1  MET  69           HE1      MET  69  -7.150   1.307   6.509
  505    HE2  MET  69           HE2      MET  69  -6.355   0.478   7.846
  506    HE3  MET  69           HE3      MET  69  -6.770   2.184   7.995
  507    H    ARG  70           HN       ARG  70 -14.322   1.449   6.981
  508    HA   ARG  70           HA       ARG  70 -15.472   0.325   9.455
  509    HE   ARG  70           HE       ARG  70 -13.759   5.104  10.946
  510    HB2  ARG  70           HB2      ARG  70 -16.169   2.881   8.005
  511    HB3  ARG  70           HB1      ARG  70 -17.299   2.097   9.094
  512    HG2  ARG  70           HG2      ARG  70 -16.221   3.834  10.296
  513    HG3  ARG  70           HG1      ARG  70 -15.590   2.301  10.900
  514    HD2  ARG  70           HD2      ARG  70 -13.602   2.575   9.501
  515    HD3  ARG  70           HD1      ARG  70 -14.235   4.105   8.898
  516   HH11  ARG  70          HH11      ARG  70 -13.001   1.683  11.004
  517   HH12  ARG  70          HH12      ARG  70 -12.059   1.785  12.460
  518   HH21  ARG  70          HH21      ARG  70 -12.504   5.256  12.825
  519   HH22  ARG  70          HH22      ARG  70 -11.766   3.828  13.493
  520    H    ARG  71           HN       ARG  71 -15.051  -0.573   6.544
  521    HA   ARG  71           HA       ARG  71 -17.870  -1.218   5.979
  522    HE   ARG  71           HE       ARG  71 -17.516  -2.702   1.151
  523    HB2  ARG  71           HB2      ARG  71 -17.176   0.470   4.395
  524    HB3  ARG  71           HB1      ARG  71 -15.765  -0.491   3.950
  525    HG2  ARG  71           HG2      ARG  71 -17.335  -2.311   3.265
  526    HG3  ARG  71           HG1      ARG  71 -18.652  -1.167   3.514
  527    HD2  ARG  71           HD2      ARG  71 -18.065   0.095   1.681
  528    HD3  ARG  71           HD1      ARG  71 -16.367  -0.388   1.768
  529   HH11  ARG  71          HH11      ARG  71 -17.991   0.485  -0.236
  530   HH12  ARG  71          HH12      ARG  71 -18.371  -0.139  -1.817
  531   HH21  ARG  71          HH21      ARG  71 -18.033  -3.506  -0.904
  532   HH22  ARG  71          HH22      ARG  71 -18.426  -2.397  -2.188
  533    H    GLN  72           HN       GLN  72 -14.889  -2.128   4.337
  534    HA   GLN  72           HA       GLN  72 -14.173  -4.101   3.500
  535    HB2  GLN  72           HB2      GLN  72 -14.216  -4.683   6.038
  536    HB3  GLN  72           HB1      GLN  72 -15.673  -5.586   5.653
  537    HG2  GLN  72           HG2      GLN  72 -13.016  -6.040   4.314
  538    HG3  GLN  72           HG1      GLN  72 -13.570  -6.932   5.726
  539   HE21  GLN  72          HE21      GLN  72 -15.228  -8.422   5.512
  540   HE22  GLN  72          HE22      GLN  72 -15.725  -9.022   3.966
  541    H1   GLY  73           HT1      GLY  73  -6.369 -19.269   3.525
  542    H2   GLY  73           HT2      GLY  73  -6.008 -18.008   4.600
  543    H3   GLY  73           HT3      GLY  73  -5.542 -17.899   2.975
  544    HA2  GLY  73           HA1      GLY  73  -7.846 -17.832   2.279
  545    HA3  GLY  73           HA2      GLY  73  -8.333 -17.956   3.965
  546    H    HIS  74           HN       HIS  74  -9.379 -15.891   2.820
  547    HA   HIS  74           HA       HIS  74  -7.697 -13.633   3.688
  548    HD1  HIS  74           HD1      HIS  74  -8.195 -15.184  -0.009
  549    HD2  HIS  74           HD2      HIS  74  -6.427 -11.665   1.357
  550    HE1  HIS  74           HE1      HIS  74  -6.018 -15.001  -1.241
  551    HE2  HIS  74           HE2      HIS  74  -4.849 -13.033  -0.192
  552    HB2  HIS  74           HB2      HIS  74  -9.737 -13.732   1.457
  553    HB3  HIS  74           HB1      HIS  74  -9.079 -12.229   2.100
  554    H    MET  75           HN       MET  75  -8.384 -13.428   5.736
  555    HA   MET  75           HA       MET  75 -11.174 -12.614   6.066
  556    HB2  MET  75           HB2      MET  75 -11.013 -14.994   6.764
  557    HB3  MET  75           HB1      MET  75  -9.799 -14.537   7.952
  558    HG2  MET  75           HG2      MET  75 -12.003 -14.795   8.961
  559    HG3  MET  75           HG1      MET  75 -11.411 -13.140   9.100
  560    HE1  MET  75           HE1      MET  75 -14.409 -13.831   9.644
  561    HE2  MET  75           HE2      MET  75 -15.257 -12.583   8.730
  562    HE3  MET  75           HE3      MET  75 -13.812 -12.171   9.652
  563    H    LEU  76           HN       LEU  76 -11.185 -10.675   6.879
  564    HA   LEU  76           HA       LEU  76  -9.707  -9.890   9.164
  565    HG   LEU  76           HG       LEU  76  -8.136  -7.526   8.986
  566    HB2  LEU  76           HB2      LEU  76  -8.129  -9.804   6.997
  567    HB3  LEU  76           HB1      LEU  76  -8.930  -8.256   6.785
  568   HD11  LEU  76          HD11      LEU  76  -6.538  -8.898  10.243
  569   HD12  LEU  76          HD12      LEU  76  -6.776 -10.219   9.098
  570   HD13  LEU  76          HD13      LEU  76  -8.112  -9.685  10.118
  571   HD21  LEU  76          HD21      LEU  76  -5.762  -7.389   8.477
  572   HD22  LEU  76          HD22      LEU  76  -6.735  -7.125   7.028
  573   HD23  LEU  76          HD23      LEU  76  -5.935  -8.675   7.284
  574    HA   PRO  77           HA       PRO  77 -13.247  -7.404   9.204
  575    HB2  PRO  77           HB2      PRO  77 -12.703  -5.552  11.047
  576    HB3  PRO  77           HB1      PRO  77 -12.746  -7.272  11.456
  577    HG2  PRO  77           HG2      PRO  77 -10.393  -5.507  10.942
  578    HG3  PRO  77           HG1      PRO  77 -10.609  -6.747  12.190
  579    HD2  PRO  77           HD2      PRO  77  -9.234  -7.127   9.820
  580    HD3  PRO  77           HD1      PRO  77  -9.964  -8.430  10.783
  581    H    ASP  78           HN       ASP  78 -10.819  -6.287   7.422
  582    HA   ASP  78           HA       ASP  78 -12.285  -3.944   6.613
  583    HB2  ASP  78           HB2      ASP  78 -10.442  -2.376   6.853
  584    HB3  ASP  78           HB1      ASP  78 -10.852  -3.067   8.418
  585    H    VAL  79           HN       VAL  79 -10.472  -2.740   5.064
  586    HA   VAL  79           HA       VAL  79 -10.650  -4.211   2.702
  587    HB   VAL  79           HB       VAL  79 -10.746  -1.882   2.505
  588   HG11  VAL  79          HG11      VAL  79  -9.076  -0.326   3.252
  589   HG12  VAL  79          HG12      VAL  79  -8.049  -1.649   3.808
  590   HG13  VAL  79          HG13      VAL  79  -9.591  -1.331   4.603
  591   HG21  VAL  79          HG21      VAL  79  -8.966  -1.244   0.994
  592   HG22  VAL  79          HG22      VAL  79  -9.506  -2.893   0.670
  593   HG23  VAL  79          HG23      VAL  79  -7.990  -2.612   1.540
  594    H    ALA  80           HN       ALA  80  -8.178  -4.272   5.109
  595    HA   ALA  80           HA       ALA  80  -5.861  -4.682   3.659
  596    HB1  ALA  80           HB1      ALA  80  -5.659  -4.410   5.966
  597    HB2  ALA  80           HB2      ALA  80  -5.121  -6.057   5.650
  598    HB3  ALA  80           HB3      ALA  80  -6.731  -5.767   6.317
  599    H    GLN  81           HN       GLN  81  -8.372  -7.079   4.405
  600    HA   GLN  81           HA       GLN  81  -6.885  -9.345   3.587
  601    HB2  GLN  81           HB2      GLN  81  -9.017 -10.524   3.470
  602    HB3  GLN  81           HB1      GLN  81  -8.951  -9.536   4.922
  603    HG2  GLN  81           HG2      GLN  81 -10.465  -7.973   4.062
  604    HG3  GLN  81           HG1      GLN  81 -10.268  -8.560   2.413
  605   HE21  GLN  81          HE21      GLN  81 -10.630 -10.672   5.154
  606   HE22  GLN  81          HE22      GLN  81 -12.200 -11.262   4.732
  607    H    ARG  82           HN       ARG  82  -8.895  -7.067   1.872
  608    HA   ARG  82           HA       ARG  82  -9.079  -8.523  -0.562
  609    HE   ARG  82           HE       ARG  82 -12.765  -6.373  -1.221
  610    HB2  ARG  82           HB2      ARG  82 -10.793  -6.959   0.108
  611    HB3  ARG  82           HB1      ARG  82  -9.620  -5.657   0.228
  612    HG2  ARG  82           HG2      ARG  82  -9.256  -5.813  -2.178
  613    HG3  ARG  82           HG1      ARG  82 -10.524  -7.035  -2.281
  614    HD2  ARG  82           HD2      ARG  82 -10.824  -4.171  -1.369
  615    HD3  ARG  82           HD1      ARG  82 -11.458  -4.878  -2.856
  616   HH11  ARG  82          HH11      ARG  82 -11.990  -3.009  -0.687
  617   HH12  ARG  82          HH12      ARG  82 -13.340  -2.721   0.376
  618   HH21  ARG  82          HH21      ARG  82 -14.530  -6.036   0.177
  619   HH22  ARG  82          HH22      ARG  82 -14.786  -4.459   0.878
  620    H    LEU  83           HN       LEU  83  -6.711  -6.691   0.944
  621    HA   LEU  83           HA       LEU  83  -5.430  -5.753  -1.500
  622    HG   LEU  83           HG       LEU  83  -2.675  -5.409   0.362
  623    HB2  LEU  83           HB2      LEU  83  -5.428  -4.175   0.269
  624    HB3  LEU  83           HB1      LEU  83  -4.889  -5.367   1.434
  625   HD11  LEU  83          HD11      LEU  83  -3.761  -3.207  -1.384
  626   HD12  LEU  83          HD12      LEU  83  -3.327  -4.833  -1.915
  627   HD13  LEU  83          HD13      LEU  83  -2.080  -3.739  -1.310
  628   HD21  LEU  83          HD21      LEU  83  -1.926  -3.375   1.278
  629   HD22  LEU  83          HD22      LEU  83  -3.360  -3.805   2.205
  630   HD23  LEU  83          HD23      LEU  83  -3.459  -2.569   0.951
  631    H    MET  84           HN       MET  84  -4.965  -8.049   1.120
  632    HA   MET  84           HA       MET  84  -2.406  -8.970   0.562
  633    HB2  MET  84           HB2      MET  84  -4.767 -10.656   1.428
  634    HB3  MET  84           HB1      MET  84  -3.072 -11.071   1.610
  635    HG2  MET  84           HG2      MET  84  -2.755  -9.287   3.189
  636    HG3  MET  84           HG1      MET  84  -4.415  -8.740   2.945
  637    HE1  MET  84           HE1      MET  84  -4.709  -8.830   5.619
  638    HE2  MET  84           HE2      MET  84  -3.071  -9.451   5.808
  639    HE3  MET  84           HE3      MET  84  -4.422 -10.280   6.581
  640    H    GLN  85           HN       GLN  85  -5.490  -9.824  -0.915
  641    HA   GLN  85           HA       GLN  85  -4.422 -11.929  -2.510
  642    HB2  GLN  85           HB2      GLN  85  -6.641 -12.306  -2.232
  643    HB3  GLN  85           HB1      GLN  85  -7.019 -10.597  -2.094
  644    HG2  GLN  85           HG2      GLN  85  -6.915 -10.340  -4.468
  645    HG3  GLN  85           HG1      GLN  85  -6.440 -12.029  -4.669
  646   HE21  GLN  85          HE21      GLN  85  -7.961 -13.649  -4.321
  647   HE22  GLN  85          HE22      GLN  85  -9.665 -13.319  -4.279
  648    H    HIS  86           HN       HIS  86  -5.173  -8.528  -2.999
  649    HA   HIS  86           HA       HIS  86  -5.040  -8.421  -5.776
  650    HD1  HIS  86           HD1      HIS  86  -6.621  -5.806  -6.666
  651    HD2  HIS  86           HD2      HIS  86  -2.691  -4.856  -5.674
  652    HE1  HIS  86           HE1      HIS  86  -5.842  -4.216  -8.448
  653    HE2  HIS  86           HE2      HIS  86  -3.512  -3.558  -7.768
  654    HB2  HIS  86           HB2      HIS  86  -5.891  -6.606  -4.320
  655    HB3  HIS  86           HB1      HIS  86  -4.243  -6.259  -3.815
  656    H    LEU  87           HN       LEU  87  -2.459  -8.349  -3.390
  657    HA   LEU  87           HA       LEU  87  -0.450  -7.747  -5.395
  658    HG   LEU  87           HG       LEU  87  -1.402  -6.469  -2.719
  659    HB2  LEU  87           HB2      LEU  87  -0.039  -8.595  -2.529
  660    HB3  LEU  87           HB1      LEU  87   1.139  -7.836  -3.599
  661   HD11  LEU  87          HD11      LEU  87   0.020  -5.243  -1.126
  662   HD12  LEU  87          HD12      LEU  87   1.360  -6.324  -1.523
  663   HD13  LEU  87          HD13      LEU  87  -0.093  -6.968  -0.754
  664   HD21  LEU  87          HD21      LEU  87  -0.320  -5.675  -4.792
  665   HD22  LEU  87          HD22      LEU  87   1.164  -5.397  -3.879
  666   HD23  LEU  87          HD23      LEU  87  -0.291  -4.476  -3.499
  667    H    ALA  88           HN       ALA  88  -1.473 -10.462  -3.423
  668    HA   ALA  88           HA       ALA  88   0.521 -12.300  -4.023
  669    HB1  ALA  88           HB1      ALA  88  -2.394 -12.872  -3.505
  670    HB2  ALA  88           HB2      ALA  88  -1.151 -12.638  -2.277
  671    HB3  ALA  88           HB3      ALA  88  -1.068 -14.026  -3.362
  672    H    GLU  89           HN       GLU  89  -2.320 -11.419  -5.898
  673    HA   GLU  89           HA       GLU  89  -2.345 -13.513  -7.740
  674    HB2  GLU  89           HB2      GLU  89  -3.054 -10.616  -8.179
  675    HB3  GLU  89           HB1      GLU  89  -3.475 -11.941  -9.252
  676    HG2  GLU  89           HG2      GLU  89  -4.378 -11.685  -6.395
  677    HG3  GLU  89           HG1      GLU  89  -5.334 -11.241  -7.808
  678    H    HIS  90           HN       HIS  90  -0.228 -10.748  -7.521
  679    HA   HIS  90           HA       HIS  90   0.739 -11.178 -10.243
  680    HD1  HIS  90           HD1      HIS  90   0.611  -8.431 -11.854
  681    HD2  HIS  90           HD2      HIS  90  -1.375  -8.233  -8.209
  682    HE1  HIS  90           HE1      HIS  90  -1.532  -7.201 -12.315
  683    HE2  HIS  90           HE2      HIS  90  -2.800  -7.266 -10.136
  684    HB2  HIS  90           HB2      HIS  90   1.337  -8.989  -8.246
  685    HB3  HIS  90           HB1      HIS  90   2.062  -9.094  -9.847
  686    H    GLY  91           HN       GLY  91   2.233 -10.740  -7.016
  687    HA2  GLY  91           HA2      GLY  91   3.700 -12.905  -6.672
  688    HA3  GLY  91           HA1      GLY  91   4.588 -12.172  -7.997
  689    H    ILE  92           HN       ILE  92   3.058 -10.233  -5.540
  690    HA   ILE  92           HA       ILE  92   5.298  -8.765  -4.884
  691    HB   ILE  92           HB       ILE  92   2.654  -9.225  -3.599
  692   HG12  ILE  92          HG12      ILE  92   2.587  -6.731  -3.884
  693   HG13  ILE  92          HG11      ILE  92   4.171  -6.846  -4.635
  694   HG21  ILE  92          HG21      ILE  92   4.878  -7.704  -2.245
  695   HG22  ILE  92          HG22      ILE  92   4.110  -9.179  -1.657
  696   HG23  ILE  92          HG23      ILE  92   3.182  -7.683  -1.764
  697   HD11  ILE  92          HD11      ILE  92   1.661  -8.139  -5.644
  698   HD12  ILE  92          HD12      ILE  92   3.255  -8.234  -6.395
  699   HD13  ILE  92          HD13      ILE  92   2.420  -6.684  -6.290
  700    H    GLN  93           HN       GLN  93   6.828  -8.847  -3.310
  701    HA   GLN  93           HA       GLN  93   7.466 -11.516  -2.401
  702    HB2  GLN  93           HB2      GLN  93   8.942  -8.905  -2.010
  703    HB3  GLN  93           HB1      GLN  93   9.567 -10.500  -1.612
  704    HG2  GLN  93           HG2      GLN  93   8.858  -9.491  -4.359
  705    HG3  GLN  93           HG1      GLN  93  10.480  -9.739  -3.713
  706   HE21  GLN  93          HE21      GLN  93   9.224 -10.908  -6.061
  707   HE22  GLN  93          HE22      GLN  93   9.280 -12.622  -5.833
  708    HA   PRO  94           HA       PRO  94   5.245 -10.898   1.366
  709    HB2  PRO  94           HB2      PRO  94   5.836 -13.294   2.501
  710    HB3  PRO  94           HB1      PRO  94   4.664 -13.113   1.192
  711    HG2  PRO  94           HG2      PRO  94   7.509 -14.019   1.080
  712    HG3  PRO  94           HG1      PRO  94   6.097 -14.649   0.212
  713    HD2  PRO  94           HD2      PRO  94   7.926 -12.977  -0.918
  714    HD3  PRO  94           HD1      PRO  94   6.223 -13.029  -1.412
  715    H    ALA  95           HN       ALA  95   5.721  -9.999   3.266
  716    HA   ALA  95           HA       ALA  95   8.170 -10.621   4.677
  717    HB1  ALA  95           HB1      ALA  95   7.648  -7.780   3.823
  718    HB2  ALA  95           HB2      ALA  95   8.812  -8.854   3.042
  719    HB3  ALA  95           HB3      ALA  95   9.032  -8.391   4.730
  720    H    ARG  96           HN       ARG  96   6.318 -11.396   5.964
  721    HA   ARG  96           HA       ARG  96   4.617  -9.445   7.237
  722    HE   ARG  96           HE       ARG  96   0.525 -11.242   8.861
  723    HB2  ARG  96           HB2      ARG  96   3.935 -11.799   6.625
  724    HB3  ARG  96           HB1      ARG  96   4.962 -12.365   7.931
  725    HG2  ARG  96           HG2      ARG  96   2.651 -12.299   8.634
  726    HG3  ARG  96           HG1      ARG  96   3.598 -11.114   9.536
  727    HD2  ARG  96           HD2      ARG  96   2.693  -9.314   8.333
  728    HD3  ARG  96           HD1      ARG  96   2.078 -10.365   7.058
  729   HH11  ARG  96          HH11      ARG  96   1.766  -7.964   8.892
  730   HH12  ARG  96          HH12      ARG  96   0.381  -7.304   9.696
  731   HH21  ARG  96          HH21      ARG  96  -1.285 -10.390   9.934
  732   HH22  ARG  96          HH22      ARG  96  -1.367  -8.699  10.303
  733    H    ASN  97           HN       ASN  97   7.134  -8.664   7.703
  734    HA   ASN  97           HA       ASN  97   7.383  -8.905  10.568
  735    HB2  ASN  97           HB2      ASN  97   9.676  -9.652  10.606
  736    HB3  ASN  97           HB1      ASN  97   8.744 -10.820   9.680
  737   HD21  ASN  97          HD21      ASN  97   9.062 -10.972   7.448
  738   HD22  ASN  97          HD22      ASN  97  10.449 -10.279   6.676
  739    H    MET  98           HN       MET  98   8.601  -7.204  11.478
  740    HA   MET  98           HA       MET  98   8.735  -4.890   9.711
  741    HB2  MET  98           HB2      MET  98   8.902  -5.153  12.715
  742    HB3  MET  98           HB1      MET  98   9.098  -3.625  11.865
  743    HG2  MET  98           HG2      MET  98   6.650  -5.376  11.813
  744    HG3  MET  98           HG1      MET  98   6.843  -3.885  12.734
  745    HE1  MET  98           HE1      MET  98   4.397  -4.419  10.747
  746    HE2  MET  98           HE2      MET  98   4.293  -2.859   9.931
  747    HE3  MET  98           HE3      MET  98   4.596  -2.929  11.668
  748    H    ALA  99           HN       ALA  99  10.613  -5.611   8.561
  749    HA   ALA  99           HA       ALA  99  13.129  -5.527  10.047
  750    HB1  ALA  99           HB1      ALA  99  12.644  -6.131   7.132
  751    HB2  ALA  99           HB2      ALA  99  12.782  -7.335   8.413
  752    HB3  ALA  99           HB3      ALA  99  14.166  -6.320   8.002
  753    H    GLU 100           HN       GLU 100  13.413  -3.374  10.533
  754    HA   GLU 100           HA       GLU 100  13.140  -1.249   8.675
  755    HB2  GLU 100           HB2      GLU 100  14.784  -1.424  11.205
  756    HB3  GLU 100           HB1      GLU 100  14.464   0.058  10.316
  757    HG2  GLU 100           HG2      GLU 100  12.088  -0.165  10.773
  758    HG3  GLU 100           HG1      GLU 100  12.385  -1.679  11.628
  759    H    HIS 101           HN       HIS 101  14.350  -0.959   6.921
  760    HA   HIS 101           HA       HIS 101  17.138  -1.909   7.034
  761    HD1  HIS 101           HD1      HIS 101  13.341  -2.514   5.066
  762    HD2  HIS 101           HD2      HIS 101  16.097  -0.385   2.802
  763    HE1  HIS 101           HE1      HIS 101  12.002  -1.433   3.231
  764    HE2  HIS 101           HE2      HIS 101  13.723  -0.293   1.769
  765    HB2  HIS 101           HB2      HIS 101  17.048  -2.264   4.613
  766    HB3  HIS 101           HB1      HIS 101  15.824  -3.211   5.443
  767    H    ILE 102           HN       ILE 102  18.588  -0.752   5.450
  768    HA   ILE 102           HA       ILE 102  18.444   2.043   6.181
  769    HB   ILE 102           HB       ILE 102  20.574   0.586   4.603
  770   HG12  ILE 102          HG12      ILE 102  20.469   1.214   7.564
  771   HG13  ILE 102          HG11      ILE 102  20.225  -0.381   6.859
  772   HG21  ILE 102          HG21      ILE 102  20.627   3.014   4.315
  773   HG22  ILE 102          HG22      ILE 102  22.022   2.448   5.234
  774   HG23  ILE 102          HG23      ILE 102  20.673   3.223   6.066
  775   HD11  ILE 102          HD11      ILE 102  22.754   1.247   6.725
  776   HD12  ILE 102          HD12      ILE 102  22.515  -0.345   6.004
  777   HD13  ILE 102          HD13      ILE 102  22.462  -0.153   7.757
  778    HA   PRO 103           HA       PRO 103  16.819   3.225   2.153
  779    HB2  PRO 103           HB2      PRO 103  17.263   5.961   3.085
  780    HB3  PRO 103           HB1      PRO 103  15.744   5.154   2.690
  781    HG2  PRO 103           HG2      PRO 103  16.421   5.818   5.223
  782    HG3  PRO 103           HG1      PRO 103  15.437   4.394   4.837
  783    HD2  PRO 103           HD2      PRO 103  18.355   4.561   5.496
  784    HD3  PRO 103           HD1      PRO 103  17.147   3.369   6.028
  785    HA   PRO 104           HA       PRO 104  20.973   4.050   0.653
  786    HB2  PRO 104           HB2      PRO 104  20.672   2.960  -1.773
  787    HB3  PRO 104           HB1      PRO 104  20.789   1.967  -0.317
  788    HG2  PRO 104           HG2      PRO 104  18.403   2.672  -1.944
  789    HG3  PRO 104           HG1      PRO 104  18.764   1.177  -1.067
  790    HD2  PRO 104           HD2      PRO 104  17.102   3.260  -0.186
  791    HD3  PRO 104           HD1      PRO 104  17.740   1.936   0.807
  792    H    ALA 105           HN       ALA 105  21.836   5.742  -0.383
  793    HA   ALA 105           HA       ALA 105  20.099   7.562  -1.827
  794    HB1  ALA 105           HB1      ALA 105  21.733   8.475  -0.258
  795    HB2  ALA 105           HB2      ALA 105  22.060   9.035  -1.897
  796    HB3  ALA 105           HB3      ALA 105  23.046   7.755  -1.190
  797    HA   PRO 106           HA       PRO 106  20.527   5.541  -5.725
  798    HB2  PRO 106           HB2      PRO 106  20.533   8.002  -7.160
  799    HB3  PRO 106           HB1      PRO 106  19.173   6.909  -6.898
  800    HG2  PRO 106           HG2      PRO 106  19.919   9.383  -5.449
  801    HG3  PRO 106           HG1      PRO 106  18.321   8.654  -5.689
  802    HD2  PRO 106           HD2      PRO 106  19.555   8.563  -3.313
  803    HD3  PRO 106           HD1      PRO 106  18.583   7.194  -3.899
  804    H    ASN 107           HN       ASN 107  22.218   8.663  -5.835
  805    HA   ASN 107           HA       ASN 107  24.782   7.308  -6.113
  806    HB2  ASN 107           HB2      ASN 107  23.793   9.341  -8.138
  807    HB3  ASN 107           HB1      ASN 107  25.441   8.740  -8.039
  808   HD21  ASN 107          HD21      ASN 107  22.251   8.152  -9.122
  809   HD22  ASN 107          HD22      ASN 107  22.567   6.657  -9.934
  810    H    TRP 108           HN       TRP 108  23.151  10.448  -6.219
  811    HA   TRP 108           HA       TRP 108  25.132  11.482  -4.311
  812    HD1  TRP 108           HD1      TRP 108  27.247  13.538  -4.799
  813    HE1  TRP 108           HE1      TRP 108  27.295  15.997  -4.024
  814    HE3  TRP 108           HE3      TRP 108  22.542  14.920  -6.231
  815    HZ2  TRP 108           HZ2      TRP 108  25.562  18.218  -4.031
  816    HZ3  TRP 108           HZ3      TRP 108  21.816  17.233  -5.816
  817    HH2  TRP 108           HH2      TRP 108  23.297  18.846  -4.738
  818    HB2  TRP 108           HB2      TRP 108  25.572  12.306  -6.598
  819    HB3  TRP 108           HB1      TRP 108  23.934  12.938  -6.681
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  -8.897  23.775  11.944
    2    H2   GLY   1           HT2      GLY   1  -9.117  25.362  11.383
    3    H3   GLY   1           HT3      GLY   1  -7.673  24.931  12.163
    4    HA2  GLY   1           HA1      GLY   1  -8.622  23.910   9.546
    5    HA3  GLY   1           HA2      GLY   1  -7.333  25.081   9.789
    6    H    HIS   2           HN       HIS   2  -8.249  21.750   9.918
    7    HA   HIS   2           HA       HIS   2  -5.411  21.041  10.248
    8    HD1  HIS   2           HD1      HIS   2  -7.965  21.400  13.462
    9    HD2  HIS   2           HD2      HIS   2  -4.108  19.966  12.850
   10    HE1  HIS   2           HE1      HIS   2  -6.634  22.143  15.469
   11    HE2  HIS   2           HE2      HIS   2  -4.276  21.368  15.020
   12    HB2  HIS   2           HB2      HIS   2  -7.811  19.761  11.547
   13    HB3  HIS   2           HB1      HIS   2  -6.295  18.891  11.337
   14    H    MET   3           HN       MET   3  -4.654  19.931   8.592
   15    HA   MET   3           HA       MET   3  -6.438  19.115   6.492
   16    HB2  MET   3           HB2      MET   3  -4.374  18.417   5.316
   17    HB3  MET   3           HB1      MET   3  -4.302  20.075   5.891
   18    HG2  MET   3           HG2      MET   3  -2.935  19.371   7.779
   19    HG3  MET   3           HG1      MET   3  -3.014  17.702   7.219
   20    HE1  MET   3           HE1      MET   3  -0.899  21.097   4.905
   21    HE2  MET   3           HE2      MET   3  -1.702  21.325   6.457
   22    HE3  MET   3           HE3      MET   3  -2.654  20.967   5.016
   23    H    SER   4           HN       SER   4  -6.971  17.065   5.850
   24    HA   SER   4           HA       SER   4  -6.827  15.047   7.905
   25    HG   SER   4           HG       SER   4  -9.059  15.055   4.504
   26    HB2  SER   4           HB2      SER   4  -8.261  13.796   6.150
   27    HB3  SER   4           HB1      SER   4  -8.944  15.243   6.896
   28    H    GLY   5           HN       GLY   5  -4.599  15.927   5.829
   29    HA2  GLY   5           HA2      GLY   5  -2.647  14.486   5.571
   30    HA3  GLY   5           HA1      GLY   5  -3.759  13.169   5.214
   31    H    PHE   6           HN       PHE   6  -3.677  12.624   3.157
   32    HA   PHE   6           HA       PHE   6  -3.335  14.755   1.150
   33    HD1  PHE   6           HD1      PHE   6  -0.695  14.805   0.077
   34    HD2  PHE   6           HD2      PHE   6  -1.149  11.449   2.656
   35    HE1  PHE   6           HE1      PHE   6   1.546  15.215   1.003
   36    HE2  PHE   6           HE2      PHE   6   1.094  11.853   3.584
   37    HZ   PHE   6           HZ       PHE   6   2.445  13.740   2.757
   38    HB2  PHE   6           HB2      PHE   6  -2.684  11.806   0.898
   39    HB3  PHE   6           HB1      PHE   6  -2.405  13.034  -0.330
   40    H    LYS   7           HN       LYS   7  -5.399  15.282   0.635
   41    HA   LYS   7           HA       LYS   7  -7.499  13.345   0.546
   42    HB2  LYS   7           HB2      LYS   7  -8.805  15.315  -0.431
   43    HB3  LYS   7           HB1      LYS   7  -8.172  15.495   1.199
   44    HG2  LYS   7           HG2      LYS   7  -6.251  16.751   0.267
   45    HG3  LYS   7           HG1      LYS   7  -7.010  16.657  -1.323
   46    HD2  LYS   7           HD2      LYS   7  -8.908  17.919  -0.546
   47    HD3  LYS   7           HD1      LYS   7  -8.291  17.895   1.109
   48    HE2  LYS   7           HE2      LYS   7  -6.924  19.194  -1.245
   49    HE3  LYS   7           HE1      LYS   7  -7.876  20.044  -0.028
   50    HZ1  LYS   7           HZ1      LYS   7  -5.423  20.091   0.331
   51    HZ2  LYS   7           HZ2      LYS   7  -5.475  18.420   0.618
   52    HZ3  LYS   7           HZ3      LYS   7  -6.309  19.483   1.644
   53    H    HIS   8           HN       HIS   8  -6.491  11.877  -0.924
   54    HA   HIS   8           HA       HIS   8  -5.862  10.988  -2.913
   55    HD1  HIS   8           HD1      HIS   8  -9.866  12.427  -1.967
   56    HD2  HIS   8           HD2      HIS   8  -8.711  13.025  -5.921
   57    HE1  HIS   8           HE1      HIS   8 -11.463  14.134  -2.898
   58    HE2  HIS   8           HE2      HIS   8 -10.907  14.258  -5.350
   59    HB2  HIS   8           HB2      HIS   8  -7.672  10.837  -4.547
   60    HB3  HIS   8           HB1      HIS   8  -8.266  10.610  -2.913
   61    H    VAL   9           HN       VAL   9  -4.348  13.112  -2.687
   62    HA   VAL   9           HA       VAL   9  -4.610  14.919  -4.903
   63    HB   VAL   9           HB       VAL   9  -2.486  15.854  -4.170
   64   HG11  VAL   9          HG11      VAL   9  -4.332  15.260  -1.866
   65   HG12  VAL   9          HG12      VAL   9  -4.507  16.570  -3.032
   66   HG13  VAL   9          HG13      VAL   9  -3.140  16.558  -1.919
   67   HG21  VAL   9          HG21      VAL   9  -2.398  13.526  -2.256
   68   HG22  VAL   9          HG22      VAL   9  -1.354  14.944  -2.151
   69   HG23  VAL   9          HG23      VAL   9  -1.262  13.885  -3.556
   70    H    SER  10           HN       SER  10  -4.023  11.829  -5.008
   71    HA   SER  10           HA       SER  10  -3.255  10.440  -6.611
   72    HG   SER  10           HG       SER  10  -2.561  10.195  -8.703
   73    HB2  SER  10           HB2      SER  10  -3.868  12.293  -8.162
   74    HB3  SER  10           HB1      SER  10  -2.214  12.880  -8.038
   75    H    HIS  11           HN       HIS  11  -0.860  13.028  -5.998
   76    HA   HIS  11           HA       HIS  11   1.413  11.418  -6.327
   77    HD1  HIS  11           HD1      HIS  11   3.009  14.112  -2.982
   78    HD2  HIS  11           HD2      HIS  11   4.043  12.092  -6.470
   79    HE1  HIS  11           HE1      HIS  11   5.456  13.613  -2.777
   80    HE2  HIS  11           HE2      HIS  11   6.100  12.528  -4.963
   81    HB2  HIS  11           HB2      HIS  11   1.538  13.873  -6.158
   82    HB3  HIS  11           HB1      HIS  11   1.057  13.782  -4.468
   83    H    VAL  12           HN       VAL  12  -0.629  12.070  -3.557
   84    HA   VAL  12           HA       VAL  12  -1.023  11.006  -1.617
   85    HB   VAL  12           HB       VAL  12  -0.049   8.619  -3.174
   86   HG11  VAL  12          HG11      VAL  12  -1.791   8.697  -0.713
   87   HG12  VAL  12          HG12      VAL  12  -0.111   8.166  -0.759
   88   HG13  VAL  12          HG13      VAL  12  -1.348   7.254  -1.629
   89   HG21  VAL  12          HG21      VAL  12  -2.423   8.237  -3.639
   90   HG22  VAL  12          HG22      VAL  12  -1.856   9.777  -4.298
   91   HG23  VAL  12          HG23      VAL  12  -2.815   9.746  -2.814
   92    H    GLY  13           HN       GLY  13   1.556   8.762  -2.245
   93    HA2  GLY  13           HA2      GLY  13   3.640  10.223  -0.973
   94    HA3  GLY  13           HA1      GLY  13   2.953   8.992   0.092
   95    H    TRP  14           HN       TRP  14   2.995   8.716  -3.363
   96    HA   TRP  14           HA       TRP  14   4.672   6.316  -3.056
   97    HD1  TRP  14           HD1      TRP  14   4.118   3.561  -3.709
   98    HE1  TRP  14           HE1      TRP  14   4.458   2.091  -5.791
   99    HE3  TRP  14           HE3      TRP  14   2.219   6.714  -7.261
  100    HZ2  TRP  14           HZ2      TRP  14   3.971   2.230  -8.561
  101    HZ3  TRP  14           HZ3      TRP  14   2.185   5.959  -9.606
  102    HH2  TRP  14           HH2      TRP  14   3.043   3.762 -10.241
  103    HB2  TRP  14           HB2      TRP  14   2.347   5.720  -3.406
  104    HB3  TRP  14           HB1      TRP  14   2.251   6.772  -4.810
  105    H    ASP  15           HN       ASP  15   6.387   6.160  -4.300
  106    HA   ASP  15           HA       ASP  15   6.552   7.791  -6.748
  107    HB2  ASP  15           HB2      ASP  15   8.358   8.301  -5.188
  108    HB3  ASP  15           HB1      ASP  15   8.750   6.592  -5.034
  109    HA   PRO  16           HA       PRO  16   5.728   4.179  -9.034
  110    HB2  PRO  16           HB2      PRO  16   7.289   4.773 -11.262
  111    HB3  PRO  16           HB1      PRO  16   5.632   5.323 -10.986
  112    HG2  PRO  16           HG2      PRO  16   8.213   6.748 -10.493
  113    HG3  PRO  16           HG1      PRO  16   6.684   7.384 -11.126
  114    HD2  PRO  16           HD2      PRO  16   7.408   7.835  -8.603
  115    HD3  PRO  16           HD1      PRO  16   5.713   7.489  -9.012
  116    H    GLN  17           HN       GLN  17   9.109   5.096  -8.573
  117    HA   GLN  17           HA       GLN  17   9.893   2.328  -9.197
  118    HB2  GLN  17           HB2      GLN  17  11.585   4.818  -9.069
  119    HB3  GLN  17           HB1      GLN  17  12.154   3.205  -9.483
  120    HG2  GLN  17           HG2      GLN  17  10.769   3.172 -11.457
  121    HG3  GLN  17           HG1      GLN  17  10.072   4.731 -11.029
  122   HE21  GLN  17          HE21      GLN  17  10.712   5.672 -12.937
  123   HE22  GLN  17          HE22      GLN  17  12.368   6.068 -13.275
  124    H    ASN  18           HN       ASN  18   9.983   4.785  -6.705
  125    HA   ASN  18           HA       ASN  18  11.732   3.135  -5.036
  126    HB2  ASN  18           HB2      ASN  18  10.701   5.952  -4.690
  127    HB3  ASN  18           HB1      ASN  18  11.722   5.123  -3.522
  128   HD21  ASN  18          HD21      ASN  18  11.561   6.470  -6.743
  129   HD22  ASN  18          HD22      ASN  18  13.278   6.599  -6.978
  130    H    GLY  19           HN       GLY  19   8.432   3.596  -5.470
  131    HA2  GLY  19           HA2      GLY  19   6.744   2.429  -4.381
  132    HA3  GLY  19           HA1      GLY  19   7.878   2.023  -3.101
  133    H    PHE  20           HN       PHE  20   6.024   2.544  -1.734
  134    HA   PHE  20           HA       PHE  20   5.186   5.270  -1.427
  135    HD1  PHE  20           HD2      PHE  20   2.426   5.471  -0.235
  136    HD2  PHE  20           HD1      PHE  20   3.697   1.562  -1.359
  137    HE1  PHE  20           HE2      PHE  20   0.279   5.097  -1.356
  138    HE2  PHE  20           HE1      PHE  20   1.541   1.179  -2.475
  139    HZ   PHE  20           HZ       PHE  20  -0.173   2.958  -2.479
  140    HB2  PHE  20           HB2      PHE  20   4.893   2.805   0.295
  141    HB3  PHE  20           HB1      PHE  20   4.343   4.382   0.839
  142    H    ASP  21           HN       ASP  21   5.938   6.788   0.008
  143    HA   ASP  21           HA       ASP  21   8.514   6.271   1.231
  144    HB2  ASP  21           HB2      ASP  21   7.972   8.469   0.150
  145    HB3  ASP  21           HB1      ASP  21   6.812   8.762   1.445
  146    H    VAL  22           HN       VAL  22   8.681   5.390   3.173
  147    HA   VAL  22           HA       VAL  22   6.306   4.723   4.588
  148    HB   VAL  22           HB       VAL  22   7.825   3.564   6.171
  149   HG11  VAL  22          HG11      VAL  22   8.250   3.040   3.233
  150   HG12  VAL  22          HG12      VAL  22   6.941   2.417   4.238
  151   HG13  VAL  22          HG13      VAL  22   8.599   1.897   4.531
  152   HG21  VAL  22          HG21      VAL  22   9.989   4.591   4.332
  153   HG22  VAL  22          HG22      VAL  22  10.202   3.398   5.614
  154   HG23  VAL  22          HG23      VAL  22   9.753   5.054   6.018
  155    H    ASN  23           HN       ASN  23   8.568   7.325   4.989
  156    HA   ASN  23           HA       ASN  23   7.544   7.788   7.692
  157    HB2  ASN  23           HB2      ASN  23   9.207   9.652   7.787
  158    HB3  ASN  23           HB1      ASN  23   9.924   8.063   7.567
  159   HD21  ASN  23          HD21      ASN  23   9.226  11.122   6.102
  160   HD22  ASN  23          HD22      ASN  23  10.265  10.933   4.731
  161    H    ASN  24           HN       ASN  24   7.069   8.786   4.461
  162    HA   ASN  24           HA       ASN  24   5.435  11.056   5.355
  163    HB2  ASN  24           HB2      ASN  24   6.413  10.195   2.633
  164    HB3  ASN  24           HB1      ASN  24   5.149  11.404   2.828
  165   HD21  ASN  24          HD21      ASN  24   6.307  12.531   5.251
  166   HD22  ASN  24          HD22      ASN  24   7.688  13.440   4.738
  167    H    LEU  25           HN       LEU  25   4.973   7.985   5.439
  168    HA   LEU  25           HA       LEU  25   2.728   7.422   3.828
  169    HG   LEU  25           HG       LEU  25   4.835   5.502   4.131
  170    HB2  LEU  25           HB2      LEU  25   3.903   6.214   6.293
  171    HB3  LEU  25           HB1      LEU  25   2.310   5.706   5.775
  172   HD11  LEU  25          HD11      LEU  25   4.621   3.100   4.517
  173   HD12  LEU  25          HD12      LEU  25   3.235   3.388   5.569
  174   HD13  LEU  25          HD13      LEU  25   4.832   3.974   6.034
  175   HD21  LEU  25          HD21      LEU  25   3.497   4.199   2.597
  176   HD22  LEU  25          HD22      LEU  25   2.791   5.803   2.794
  177   HD23  LEU  25          HD23      LEU  25   2.071   4.416   3.613
  178    H    ASP  26           HN       ASP  26   0.559   7.405   4.286
  179    HA   ASP  26           HA       ASP  26  -0.343   9.400   6.165
  180    HB2  ASP  26           HB2      ASP  26  -1.371   9.328   3.966
  181    HB3  ASP  26           HB1      ASP  26  -1.840   7.647   4.205
  182    HA   PRO  27           HA       PRO  27  -0.969   6.883   9.726
  183    HB2  PRO  27           HB2      PRO  27  -3.621   8.276   9.739
  184    HB3  PRO  27           HB1      PRO  27  -2.494   7.995  11.073
  185    HG2  PRO  27           HG2      PRO  27  -2.604  10.367   9.882
  186    HG3  PRO  27           HG1      PRO  27  -1.053   9.676  10.385
  187    HD2  PRO  27           HD2      PRO  27  -2.191   9.978   7.663
  188    HD3  PRO  27           HD1      PRO  27  -0.495   9.940   8.182
  189    H    ASP  28           HN       ASP  28  -3.954   7.253   7.778
  190    HA   ASP  28           HA       ASP  28  -5.013   4.768   8.685
  191    HB2  ASP  28           HB2      ASP  28  -5.836   6.677   6.513
  192    HB3  ASP  28           HB1      ASP  28  -6.656   5.137   6.743
  193    H    LEU  29           HN       LEU  29  -3.366   5.782   5.692
  194    HA   LEU  29           HA       LEU  29  -3.498   3.340   4.331
  195    HG   LEU  29           HG       LEU  29  -3.317   6.294   3.427
  196    HB2  LEU  29           HB2      LEU  29  -1.275   5.375   4.419
  197    HB3  LEU  29           HB1      LEU  29  -1.327   4.033   3.297
  198   HD11  LEU  29          HD11      LEU  29  -1.207   7.052   2.603
  199   HD12  LEU  29          HD12      LEU  29  -2.300   6.872   1.229
  200   HD13  LEU  29          HD13      LEU  29  -1.055   5.656   1.535
  201   HD21  LEU  29          HD21      LEU  29  -4.168   5.334   1.320
  202   HD22  LEU  29          HD22      LEU  29  -4.374   4.237   2.686
  203   HD23  LEU  29          HD23      LEU  29  -3.078   3.964   1.523
  204    H    ARG  30           HN       ARG  30  -1.171   4.540   6.685
  205    HA   ARG  30           HA       ARG  30   0.599   2.383   6.659
  206    HE   ARG  30           HE       ARG  30   3.624   1.671  10.018
  207    HB2  ARG  30           HB2      ARG  30   0.881   4.686   7.699
  208    HB3  ARG  30           HB1      ARG  30  -0.034   4.083   9.070
  209    HG2  ARG  30           HG2      ARG  30   2.435   2.680   8.123
  210    HG3  ARG  30           HG1      ARG  30   2.531   4.087   9.184
  211    HD2  ARG  30           HD2      ARG  30   1.131   2.946  10.824
  212    HD3  ARG  30           HD1      ARG  30   1.012   1.545   9.758
  213   HH11  ARG  30          HH11      ARG  30   1.203   2.199  12.481
  214   HH12  ARG  30          HH12      ARG  30   2.180   1.561  13.767
  215   HH21  ARG  30          HH21      ARG  30   4.920   0.848  11.669
  216   HH22  ARG  30          HH22      ARG  30   4.310   0.761  13.295
  217    H    SER  31           HN       SER  31  -2.250   2.993   8.695
  218    HA   SER  31           HA       SER  31  -2.161   0.685  10.272
  219    HG   SER  31           HG       SER  31  -4.929   1.490  11.741
  220    HB2  SER  31           HB2      SER  31  -3.759   2.699  10.466
  221    HB3  SER  31           HB1      SER  31  -4.715   1.914   9.220
  222    H    LEU  32           HN       LEU  32  -3.720   1.303   7.179
  223    HA   LEU  32           HA       LEU  32  -5.047  -1.135   6.882
  224    HG   LEU  32           HG       LEU  32  -6.587   0.135   4.053
  225    HB2  LEU  32           HB2      LEU  32  -5.406   1.066   5.686
  226    HB3  LEU  32           HB1      LEU  32  -4.034   0.649   4.679
  227   HD11  LEU  32          HD11      LEU  32  -5.725  -1.428   2.386
  228   HD12  LEU  32          HD12      LEU  32  -4.196  -1.496   3.265
  229   HD13  LEU  32          HD13      LEU  32  -4.725   0.017   2.528
  230   HD21  LEU  32          HD21      LEU  32  -5.538  -2.416   5.248
  231   HD22  LEU  32          HD22      LEU  32  -7.022  -2.247   4.309
  232   HD23  LEU  32          HD23      LEU  32  -6.877  -1.457   5.880
  233    H    PHE  33           HN       PHE  33  -2.091  -0.006   5.298
  234    HA   PHE  33           HA       PHE  33  -1.410  -2.360   3.977
  235    HD1  PHE  33           HD2      PHE  33  -1.999  -0.997   2.620
  236    HD2  PHE  33           HD1      PHE  33   1.258   1.521   3.752
  237    HE1  PHE  33           HE2      PHE  33  -2.716   0.670   0.966
  238    HE2  PHE  33           HE1      PHE  33   0.533   3.187   2.098
  239    HZ   PHE  33           HZ       PHE  33  -1.380   2.792   0.702
  240    HB2  PHE  33           HB2      PHE  33   0.528  -0.360   5.156
  241    HB3  PHE  33           HB1      PHE  33   0.865  -1.500   3.860
  242    H    SER  34           HN       SER  34  -0.686  -1.326   7.253
  243    HA   SER  34           HA       SER  34   1.067  -3.391   7.970
  244    HG   SER  34           HG       SER  34   0.805  -3.790  10.345
  245    HB2  SER  34           HB2      SER  34   0.889  -1.388   9.288
  246    HB3  SER  34           HB1      SER  34  -0.807  -1.711   9.641
  247    H    ARG  35           HN       ARG  35  -2.451  -3.176   7.991
  248    HA   ARG  35           HA       ARG  35  -2.918  -5.598   9.391
  249    HE   ARG  35           HE       ARG  35  -5.999  -2.213  11.265
  250    HB2  ARG  35           HB2      ARG  35  -4.661  -4.066   7.472
  251    HB3  ARG  35           HB1      ARG  35  -5.204  -5.453   8.405
  252    HG2  ARG  35           HG2      ARG  35  -4.827  -4.283  10.458
  253    HG3  ARG  35           HG1      ARG  35  -4.126  -2.926   9.582
  254    HD2  ARG  35           HD2      ARG  35  -6.260  -2.543   8.456
  255    HD3  ARG  35           HD1      ARG  35  -6.960  -3.907   9.325
  256   HH11  ARG  35          HH11      ARG  35  -8.299  -2.016   8.632
  257   HH12  ARG  35          HH12      ARG  35  -9.301  -0.844   9.440
  258   HH21  ARG  35          HH21      ARG  35  -7.316  -0.684  12.331
  259   HH22  ARG  35          HH22      ARG  35  -8.744  -0.074  11.538
  260    H    ALA  36           HN       ALA  36  -2.613  -4.731   6.009
  261    HA   ALA  36           HA       ALA  36  -3.477  -7.166   4.904
  262    HB1  ALA  36           HB1      ALA  36  -3.367  -5.127   3.576
  263    HB2  ALA  36           HB2      ALA  36  -2.390  -6.392   2.833
  264    HB3  ALA  36           HB3      ALA  36  -1.611  -5.096   3.739
  265    H    GLY  37           HN       GLY  37  -0.417  -6.131   6.199
  266    HA2  GLY  37           HA2      GLY  37   1.122  -7.887   6.945
  267    HA3  GLY  37           HA1      GLY  37   0.756  -8.741   5.451
  268    H    ILE  38           HN       ILE  38   0.766  -5.846   4.293
  269    HA   ILE  38           HA       ILE  38   3.301  -5.945   3.095
  270    HB   ILE  38           HB       ILE  38   1.531  -3.511   3.388
  271   HG12  ILE  38          HG12      ILE  38   1.491  -5.541   1.152
  272   HG13  ILE  38          HG11      ILE  38   0.375  -5.596   2.513
  273   HG21  ILE  38          HG21      ILE  38   3.566  -4.272   1.292
  274   HG22  ILE  38          HG22      ILE  38   3.774  -3.049   2.545
  275   HG23  ILE  38          HG23      ILE  38   2.565  -2.817   1.281
  276   HD11  ILE  38          HD11      ILE  38  -0.627  -4.553   0.571
  277   HD12  ILE  38          HD12      ILE  38   0.658  -3.346   0.543
  278   HD13  ILE  38          HD13      ILE  38  -0.471  -3.403   1.897
  279    H    SER  39           HN       SER  39   5.085  -5.814   4.267
  280    HA   SER  39           HA       SER  39   5.223  -4.216   6.648
  281    HG   SER  39           HG       SER  39   5.230  -6.725   6.395
  282    HB2  SER  39           HB2      SER  39   7.315  -5.863   5.249
  283    HB3  SER  39           HB1      SER  39   7.489  -5.160   6.849
  284    H    GLU  40           HN       GLU  40   7.245  -2.841   6.994
  285    HA   GLU  40           HA       GLU  40   7.105  -0.555   5.470
  286    HB2  GLU  40           HB2      GLU  40   8.089  -0.664   7.697
  287    HB3  GLU  40           HB1      GLU  40   9.439  -1.597   7.075
  288    HG2  GLU  40           HG2      GLU  40  10.213   0.280   5.792
  289    HG3  GLU  40           HG1      GLU  40   8.792   1.220   6.249
  290    H    ALA  41           HN       ALA  41   9.465  -3.199   5.159
  291    HA   ALA  41           HA       ALA  41  11.017  -2.153   3.101
  292    HB1  ALA  41           HB1      ALA  41  10.278  -5.045   3.537
  293    HB2  ALA  41           HB2      ALA  41  11.577  -4.184   4.363
  294    HB3  ALA  41           HB3      ALA  41  11.662  -4.448   2.621
  295    H    GLN  42           HN       GLN  42   8.224  -4.307   2.814
  296    HA   GLN  42           HA       GLN  42   8.000  -4.445   0.075
  297    HB2  GLN  42           HB2      GLN  42   5.877  -4.495   2.209
  298    HB3  GLN  42           HB1      GLN  42   5.531  -4.799   0.515
  299    HG2  GLN  42           HG2      GLN  42   7.093  -6.686   0.548
  300    HG3  GLN  42           HG1      GLN  42   7.384  -6.393   2.264
  301   HE21  GLN  42          HE21      GLN  42   5.127  -7.528  -0.110
  302   HE22  GLN  42          HE22      GLN  42   4.017  -8.263   1.000
  303    H    LEU  43           HN       LEU  43   6.857  -1.914   2.250
  304    HA   LEU  43           HA       LEU  43   5.361  -0.542   0.254
  305    HG   LEU  43           HG       LEU  43   4.417  -1.242   2.952
  306    HB2  LEU  43           HB2      LEU  43   6.375   0.272   2.961
  307    HB3  LEU  43           HB1      LEU  43   5.503   1.382   1.916
  308   HD11  LEU  43          HD11      LEU  43   4.668   0.436   4.716
  309   HD12  LEU  43          HD12      LEU  43   2.972   0.133   4.338
  310   HD13  LEU  43          HD13      LEU  43   3.760   1.594   3.740
  311   HD21  LEU  43          HD21      LEU  43   3.135   0.970   1.351
  312   HD22  LEU  43          HD22      LEU  43   2.290  -0.411   2.047
  313   HD23  LEU  43          HD23      LEU  43   3.496  -0.662   0.786
  314    H    THR  44           HN       THR  44   8.671  -0.835   0.794
  315    HA   THR  44           HA       THR  44   9.146   1.525  -0.892
  316    HB   THR  44           HB       THR  44  11.593   1.204  -0.128
  317    HG1  THR  44           HG1      THR  44  10.178  -0.331   1.808
  318   HG21  THR  44          HG21      THR  44   9.491   2.148   1.825
  319   HG22  THR  44          HG22      THR  44  10.219   3.104   0.535
  320   HG23  THR  44          HG23      THR  44  11.205   2.557   1.890
  321    H    ASP  45           HN       ASP  45   8.410  -1.435  -1.354
  322    HA   ASP  45           HA       ASP  45  10.531  -2.105  -3.255
  323    HB2  ASP  45           HB2      ASP  45   8.294  -3.648  -2.015
  324    HB3  ASP  45           HB1      ASP  45   8.864  -4.146  -3.602
  325    H    ALA  46           HN       ALA  46  10.059  -2.448  -5.496
  326    HA   ALA  46           HA       ALA  46   8.540  -0.286  -6.505
  327    HB1  ALA  46           HB1      ALA  46   9.193  -1.048  -8.690
  328    HB2  ALA  46           HB2      ALA  46   9.646  -2.626  -8.039
  329    HB3  ALA  46           HB3      ALA  46  10.561  -1.184  -7.585
  330    H    GLU  47           HN       GLU  47   8.092  -3.752  -7.252
  331    HA   GLU  47           HA       GLU  47   5.646  -3.282  -8.592
  332    HB2  GLU  47           HB2      GLU  47   5.386  -5.786  -8.521
  333    HB3  GLU  47           HB1      GLU  47   6.853  -5.192  -9.275
  334    HG2  GLU  47           HG2      GLU  47   6.779  -6.083  -6.419
  335    HG3  GLU  47           HG1      GLU  47   7.048  -7.212  -7.743
  336    H    THR  48           HN       THR  48   6.383  -4.433  -5.334
  337    HA   THR  48           HA       THR  48   3.851  -5.044  -4.444
  338    HB   THR  48           HB       THR  48   5.792  -3.502  -2.730
  339    HG1  THR  48           HG1      THR  48   7.062  -5.286  -2.586
  340   HG21  THR  48          HG21      THR  48   3.818  -5.733  -2.234
  341   HG22  THR  48          HG22      THR  48   3.719  -4.073  -1.647
  342   HG23  THR  48          HG23      THR  48   4.968  -5.154  -1.032
  343    H    SER  49           HN       SER  49   5.453  -1.858  -4.175
  344    HA   SER  49           HA       SER  49   3.228  -0.560  -3.054
  345    HG   SER  49           HG       SER  49   6.521  -0.277  -2.965
  346    HB2  SER  49           HB2      SER  49   5.520   0.648  -4.610
  347    HB3  SER  49           HB1      SER  49   4.444   1.505  -3.505
  348    H    LYS  50           HN       LYS  50   4.243  -0.989  -6.402
  349    HA   LYS  50           HA       LYS  50   2.520   0.903  -7.568
  350    HB2  LYS  50           HB2      LYS  50   4.425  -0.274  -8.719
  351    HB3  LYS  50           HB1      LYS  50   3.409  -1.707  -8.813
  352    HG2  LYS  50           HG2      LYS  50   1.751  -0.367 -10.098
  353    HG3  LYS  50           HG1      LYS  50   2.909   0.964 -10.110
  354    HD2  LYS  50           HD2      LYS  50   4.529  -0.469 -11.267
  355    HD3  LYS  50           HD1      LYS  50   3.354  -1.787 -11.273
  356    HE2  LYS  50           HE2      LYS  50   3.169  -0.821 -13.400
  357    HE3  LYS  50           HE1      LYS  50   1.812  -0.167 -12.488
  358    HZ1  LYS  50           HZ1      LYS  50   3.124   1.843 -12.093
  359    HZ2  LYS  50           HZ2      LYS  50   2.868   1.564 -13.743
  360    HZ3  LYS  50           HZ3      LYS  50   4.376   1.213 -13.050
  361    H    LEU  51           HN       LEU  51   2.086  -2.539  -6.838
  362    HA   LEU  51           HA       LEU  51  -0.529  -2.766  -7.875
  363    HG   LEU  51           HG       LEU  51  -0.877  -5.237  -8.142
  364    HB2  LEU  51           HB2      LEU  51   1.250  -4.365  -6.192
  365    HB3  LEU  51           HB1      LEU  51  -0.452  -4.589  -5.839
  366   HD11  LEU  51          HD11      LEU  51   2.094  -4.914  -8.528
  367   HD12  LEU  51          HD12      LEU  51   0.842  -3.902  -9.250
  368   HD13  LEU  51          HD13      LEU  51   0.964  -5.605  -9.695
  369   HD21  LEU  51          HD21      LEU  51  -0.261  -6.898  -6.459
  370   HD22  LEU  51          HD22      LEU  51   1.436  -6.705  -6.899
  371   HD23  LEU  51          HD23      LEU  51   0.289  -7.357  -8.070
  372    H    ILE  52           HN       ILE  52   0.684  -2.049  -4.623
  373    HA   ILE  52           HA       ILE  52  -1.741  -1.907  -3.285
  374    HB   ILE  52           HB       ILE  52   0.682  -0.171  -2.829
  375   HG12  ILE  52          HG12      ILE  52  -0.043  -2.873  -1.680
  376   HG13  ILE  52          HG11      ILE  52   1.218  -2.577  -2.874
  377   HG21  ILE  52          HG21      ILE  52  -1.593  -0.950  -1.012
  378   HG22  ILE  52          HG22      ILE  52  -1.252   0.662  -1.648
  379   HG23  ILE  52          HG23      ILE  52  -0.140  -0.090  -0.503
  380   HD11  ILE  52          HD11      ILE  52   1.145  -1.861   0.016
  381   HD12  ILE  52          HD12      ILE  52   2.202  -0.994  -1.098
  382   HD13  ILE  52          HD13      ILE  52   2.381  -2.737  -0.886
  383    H    TYR  53           HN       TYR  53  -0.005   0.694  -5.001
  384    HA   TYR  53           HA       TYR  53  -1.883   2.721  -4.463
  385    HD1  TYR  53           HD2      TYR  53  -1.099   5.129  -4.474
  386    HD2  TYR  53           HD1      TYR  53  -0.763   3.880  -8.530
  387    HE1  TYR  53           HE2      TYR  53  -1.873   7.345  -5.211
  388    HE2  TYR  53           HE1      TYR  53  -1.539   6.092  -9.279
  389    HH   TYR  53           HH       TYR  53  -2.893   7.964  -8.364
  390    HB2  TYR  53           HB2      TYR  53   0.410   3.140  -5.302
  391    HB3  TYR  53           HB1      TYR  53  -0.050   2.456  -6.857
  392    H    ASP  54           HN       ASP  54  -1.515   0.538  -7.215
  393    HA   ASP  54           HA       ASP  54  -3.726   1.290  -8.734
  394    HB2  ASP  54           HB2      ASP  54  -2.281  -0.241  -9.755
  395    HB3  ASP  54           HB1      ASP  54  -2.203  -1.270  -8.331
  396    H    PHE  55           HN       PHE  55  -3.481  -1.096  -6.147
  397    HA   PHE  55           HA       PHE  55  -6.098  -1.978  -5.990
  398    HD1  PHE  55           HD1      PHE  55  -6.598  -4.126  -4.161
  399    HD2  PHE  55           HD2      PHE  55  -5.029  -0.865  -1.899
  400    HE1  PHE  55           HE1      PHE  55  -8.102  -4.690  -2.308
  401    HE2  PHE  55           HE2      PHE  55  -6.542  -1.434  -0.047
  402    HZ   PHE  55           HZ       PHE  55  -8.077  -3.344  -0.246
  403    HB2  PHE  55           HB2      PHE  55  -4.422  -3.060  -4.697
  404    HB3  PHE  55           HB1      PHE  55  -3.969  -1.564  -3.892
  405    H    ILE  56           HN       ILE  56  -4.586   0.728  -4.300
  406    HA   ILE  56           HA       ILE  56  -6.815   1.545  -2.834
  407    HB   ILE  56           HB       ILE  56  -4.414   3.089  -3.800
  408   HG12  ILE  56          HG12      ILE  56  -5.100   1.924  -1.097
  409   HG13  ILE  56          HG11      ILE  56  -4.053   1.149  -2.279
  410   HG21  ILE  56          HG21      ILE  56  -6.215   4.656  -3.329
  411   HG22  ILE  56          HG22      ILE  56  -4.961   4.754  -2.092
  412   HG23  ILE  56          HG23      ILE  56  -6.472   3.907  -1.752
  413   HD11  ILE  56          HD11      ILE  56  -2.501   3.020  -2.123
  414   HD12  ILE  56          HD12      ILE  56  -2.767   2.248  -0.560
  415   HD13  ILE  56          HD13      ILE  56  -3.548   3.786  -0.930
  416    H    GLU  57           HN       GLU  57  -5.683   2.552  -6.046
  417    HA   GLU  57           HA       GLU  57  -7.713   4.511  -6.416
  418    HB2  GLU  57           HB2      GLU  57  -5.492   4.227  -7.717
  419    HB3  GLU  57           HB1      GLU  57  -6.365   3.030  -8.662
  420    HG2  GLU  57           HG2      GLU  57  -8.041   4.717  -9.251
  421    HG3  GLU  57           HG1      GLU  57  -7.134   5.921  -8.341
  422    H    ASP  58           HN       ASP  58  -7.468   1.076  -7.035
  423    HA   ASP  58           HA       ASP  58  -9.796   0.790  -8.619
  424    HB2  ASP  58           HB2      ASP  58  -8.068  -0.942  -8.491
  425    HB3  ASP  58           HB1      ASP  58  -8.439  -1.200  -6.791
  426    H    GLN  59           HN       GLN  59  -9.228   0.863  -5.166
  427    HA   GLN  59           HA       GLN  59 -11.929   0.113  -4.497
  428    HB2  GLN  59           HB2      GLN  59  -9.758   1.282  -2.748
  429    HB3  GLN  59           HB1      GLN  59 -11.259   0.558  -2.185
  430    HG2  GLN  59           HG2      GLN  59  -9.101  -0.875  -3.716
  431    HG3  GLN  59           HG1      GLN  59  -9.341  -0.955  -1.971
  432   HE21  GLN  59          HE21      GLN  59  -9.453  -3.013  -4.121
  433   HE22  GLN  59          HE22      GLN  59 -10.999  -3.765  -3.943
  434    H    GLY  60           HN       GLY  60 -10.430   2.963  -5.512
  435    HA2  GLY  60           HA2      GLY  60 -12.099   4.680  -6.137
  436    HA3  GLY  60           HA1      GLY  60 -12.736   4.510  -4.511
  437    H    GLY  61           HN       GLY  61  -9.708   4.283  -3.723
  438    HA2  GLY  61           HA2      GLY  61  -8.009   6.154  -4.052
  439    HA3  GLY  61           HA1      GLY  61  -9.336   7.208  -3.599
  440    H    LEU  62           HN       LEU  62  -7.618   7.817  -1.990
  441    HA   LEU  62           HA       LEU  62  -6.767   5.996   0.001
  442    HG   LEU  62           HG       LEU  62  -5.547   8.379  -1.801
  443    HB2  LEU  62           HB2      LEU  62  -6.884   9.007   0.146
  444    HB3  LEU  62           HB1      LEU  62  -5.920   7.956   1.164
  445   HD11  LEU  62          HD11      LEU  62  -3.436   9.419  -1.115
  446   HD12  LEU  62          HD12      LEU  62  -3.907   9.230   0.574
  447   HD13  LEU  62          HD13      LEU  62  -4.840  10.284  -0.489
  448   HD21  LEU  62          HD21      LEU  62  -3.554   7.001  -1.562
  449   HD22  LEU  62          HD22      LEU  62  -4.998   6.089  -1.119
  450   HD23  LEU  62          HD23      LEU  62  -3.937   6.722   0.137
  451    H    GLU  63           HN       GLU  63  -9.020   8.751   0.221
  452    HA   GLU  63           HA       GLU  63  -9.908   8.164   2.825
  453    HB2  GLU  63           HB2      GLU  63 -11.560   9.583   0.739
  454    HB3  GLU  63           HB1      GLU  63 -11.613   9.794   2.482
  455    HG2  GLU  63           HG2      GLU  63 -10.418  11.622   1.996
  456    HG3  GLU  63           HG1      GLU  63  -9.070  10.484   2.038
  457    H    ALA  64           HN       ALA  64 -10.823   6.926  -0.286
  458    HA   ALA  64           HA       ALA  64 -13.320   5.816   0.400
  459    HB1  ALA  64           HB1      ALA  64 -13.041   4.400  -1.558
  460    HB2  ALA  64           HB2      ALA  64 -11.333   4.828  -1.644
  461    HB3  ALA  64           HB3      ALA  64 -12.566   6.061  -1.916
  462    H    VAL  65           HN       VAL  65 -10.063   4.281   0.345
  463    HA   VAL  65           HA       VAL  65 -11.086   1.855   1.438
  464    HB   VAL  65           HB       VAL  65  -8.945   0.984   1.461
  465   HG11  VAL  65          HG11      VAL  65  -9.614   1.526  -0.797
  466   HG12  VAL  65          HG12      VAL  65  -7.866   1.664  -0.618
  467   HG13  VAL  65          HG13      VAL  65  -8.865   3.116  -0.659
  468   HG21  VAL  65          HG21      VAL  65  -7.681   2.300   2.853
  469   HG22  VAL  65          HG22      VAL  65  -7.985   3.773   1.931
  470   HG23  VAL  65          HG23      VAL  65  -6.893   2.539   1.295
  471    H    ARG  66           HN       ARG  66 -10.017   4.841   2.802
  472    HA   ARG  66           HA       ARG  66  -9.658   4.082   5.478
  473    HE   ARG  66           HE       ARG  66  -6.592   7.925   5.315
  474    HB2  ARG  66           HB2      ARG  66 -10.720   6.603   4.219
  475    HB3  ARG  66           HB1      ARG  66 -10.629   6.420   5.962
  476    HG2  ARG  66           HG2      ARG  66  -8.210   6.107   5.799
  477    HG3  ARG  66           HG1      ARG  66  -8.313   6.303   4.046
  478    HD2  ARG  66           HD2      ARG  66  -9.071   8.549   4.260
  479    HD3  ARG  66           HD1      ARG  66  -9.302   8.372   5.996
  480   HH11  ARG  66          HH11      ARG  66  -8.965  10.487   5.635
  481   HH12  ARG  66          HH12      ARG  66  -7.779  11.692   6.038
  482   HH21  ARG  66          HH21      ARG  66  -5.040   9.521   5.864
  483   HH22  ARG  66          HH22      ARG  66  -5.571  11.153   6.162
  484    H    GLN  67           HN       GLN  67 -12.540   4.657   3.566
  485    HA   GLN  67           HA       GLN  67 -14.350   4.512   5.773
  486    HB2  GLN  67           HB2      GLN  67 -14.823   4.358   2.799
  487    HB3  GLN  67           HB1      GLN  67 -16.098   4.414   4.012
  488    HG2  GLN  67           HG2      GLN  67 -14.028   6.544   3.534
  489    HG3  GLN  67           HG1      GLN  67 -15.704   6.594   2.997
  490   HE21  GLN  67          HE21      GLN  67 -16.713   5.389   5.464
  491   HE22  GLN  67          HE22      GLN  67 -16.618   6.627   6.666
  492    H    GLU  68           HN       GLU  68 -13.172   2.293   3.309
  493    HA   GLU  68           HA       GLU  68 -14.868   0.135   3.660
  494    HB2  GLU  68           HB2      GLU  68 -11.894  -0.088   3.227
  495    HB3  GLU  68           HB1      GLU  68 -13.152  -1.186   2.671
  496    HG2  GLU  68           HG2      GLU  68 -13.038   1.663   1.784
  497    HG3  GLU  68           HG1      GLU  68 -12.114   0.401   0.996
  498    H    MET  69           HN       MET  69 -12.156   1.183   5.559
  499    HA   MET  69           HA       MET  69 -11.628  -0.935   7.229
  500    HB2  MET  69           HB2      MET  69 -11.679   2.018   7.774
  501    HB3  MET  69           HB1      MET  69 -11.217   0.860   9.015
  502    HG2  MET  69           HG2      MET  69  -9.488  -0.006   7.427
  503    HG3  MET  69           HG1      MET  69  -9.875   1.356   6.376
  504    HE1  MET  69           HE1      MET  69  -7.050   1.608   6.696
  505    HE2  MET  69           HE2      MET  69  -7.148   0.325   7.902
  506    HE3  MET  69           HE3      MET  69  -6.342   1.851   8.301
  507    H    ARG  70           HN       ARG  70 -14.338   1.277   7.333
  508    HA   ARG  70           HA       ARG  70 -15.613  -0.422   9.364
  509    HE   ARG  70           HE       ARG  70 -18.308   3.495   8.806
  510    HB2  ARG  70           HB2      ARG  70 -16.908   1.635   9.983
  511    HB3  ARG  70           HB1      ARG  70 -15.186   1.726  10.323
  512    HG2  ARG  70           HG2      ARG  70 -14.784   3.194   8.546
  513    HG3  ARG  70           HG1      ARG  70 -16.345   2.852   7.802
  514    HD2  ARG  70           HD2      ARG  70 -16.117   4.122  10.515
  515    HD3  ARG  70           HD1      ARG  70 -16.086   5.075   9.031
  516   HH11  ARG  70          HH11      ARG  70 -17.171   5.828  11.154
  517   HH12  ARG  70          HH12      ARG  70 -18.764   6.362  11.581
  518   HH21  ARG  70          HH21      ARG  70 -20.410   4.195   9.364
  519   HH22  ARG  70          HH22      ARG  70 -20.599   5.440  10.572
  520    H    ARG  71           HN       ARG  71 -15.604  -0.703   6.441
  521    HA   ARG  71           HA       ARG  71 -18.484  -0.309   5.944
  522    HE   ARG  71           HE       ARG  71 -19.894   1.828   1.514
  523    HB2  ARG  71           HB2      ARG  71 -17.159   1.480   4.876
  524    HB3  ARG  71           HB1      ARG  71 -16.301   0.254   3.956
  525    HG2  ARG  71           HG2      ARG  71 -18.378  -0.414   2.888
  526    HG3  ARG  71           HG1      ARG  71 -19.247   0.799   3.834
  527    HD2  ARG  71           HD2      ARG  71 -17.917   2.564   2.808
  528    HD3  ARG  71           HD1      ARG  71 -17.001   1.362   1.902
  529   HH11  ARG  71          HH11      ARG  71 -16.681   1.149   0.279
  530   HH12  ARG  71          HH12      ARG  71 -17.186   1.190  -1.392
  531   HH21  ARG  71          HH21      ARG  71 -20.564   1.841  -0.668
  532   HH22  ARG  71          HH22      ARG  71 -19.397   1.567  -1.927
  533    H    GLN  72           HN       GLN  72 -15.779  -1.593   4.067
  534    HA   GLN  72           HA       GLN  72 -17.419  -3.553   2.840
  535    HB2  GLN  72           HB2      GLN  72 -15.596  -2.575   1.612
  536    HB3  GLN  72           HB1      GLN  72 -14.433  -3.109   2.816
  537    HG2  GLN  72           HG2      GLN  72 -14.692  -5.381   2.178
  538    HG3  GLN  72           HG1      GLN  72 -16.076  -4.999   1.155
  539   HE21  GLN  72          HE21      GLN  72 -13.306  -2.915   1.242
  540   HE22  GLN  72          HE22      GLN  72 -12.724  -3.290  -0.341
  541    H1   GLY  73           HT1      GLY  73 -17.007 -15.509  -1.059
  542    H2   GLY  73           HT2      GLY  73 -17.172 -14.020  -0.268
  543    H3   GLY  73           HT3      GLY  73 -16.286 -15.268   0.460
  544    HA2  GLY  73           HA1      GLY  73 -14.685 -15.170  -1.398
  545    HA3  GLY  73           HA2      GLY  73 -15.566 -13.770  -1.996
  546    H    HIS  74           HN       HIS  74 -12.939 -14.703  -0.285
  547    HA   HIS  74           HA       HIS  74 -11.421 -13.657   1.034
  548    HD1  HIS  74           HD1      HIS  74 -11.901 -13.087  -1.927
  549    HD2  HIS  74           HD2      HIS  74  -9.708 -10.039  -0.121
  550    HE1  HIS  74           HE1      HIS  74 -10.067 -12.513  -3.544
  551    HE2  HIS  74           HE2      HIS  74  -8.891 -10.537  -2.530
  552    HB2  HIS  74           HB2      HIS  74 -13.053 -11.271   0.198
  553    HB3  HIS  74           HB1      HIS  74 -11.723 -11.108   1.337
  554    H    MET  75           HN       MET  75 -11.271 -12.221   3.099
  555    HA   MET  75           HA       MET  75 -13.659 -12.472   4.756
  556    HB2  MET  75           HB2      MET  75 -12.426 -13.541   6.577
  557    HB3  MET  75           HB1      MET  75 -12.404 -14.550   5.140
  558    HG2  MET  75           HG2      MET  75 -10.131 -13.831   4.650
  559    HG3  MET  75           HG1      MET  75 -10.155 -12.777   6.064
  560    HE1  MET  75           HE1      MET  75  -7.850 -14.911   5.582
  561    HE2  MET  75           HE2      MET  75  -7.700 -15.602   7.198
  562    HE3  MET  75           HE3      MET  75  -7.930 -13.866   7.001
  563    H    LEU  76           HN       LEU  76 -12.448 -11.772   7.170
  564    HA   LEU  76           HA       LEU  76 -11.601 -10.056   8.389
  565    HG   LEU  76           HG       LEU  76  -9.917  -7.803   8.265
  566    HB2  LEU  76           HB2      LEU  76  -9.774 -10.223   6.463
  567    HB3  LEU  76           HB1      LEU  76 -10.443  -8.666   6.008
  568   HD11  LEU  76          HD11      LEU  76  -8.603 -10.489   8.666
  569   HD12  LEU  76          HD12      LEU  76 -10.041  -9.905   9.501
  570   HD13  LEU  76          HD13      LEU  76  -8.488  -9.108   9.757
  571   HD21  LEU  76          HD21      LEU  76  -7.500  -7.705   7.972
  572   HD22  LEU  76          HD22      LEU  76  -8.332  -7.515   6.429
  573   HD23  LEU  76          HD23      LEU  76  -7.575  -9.055   6.839
  574    HA   PRO  77           HA       PRO  77 -14.784  -7.094   7.708
  575    HB2  PRO  77           HB2      PRO  77 -14.559  -5.705   9.943
  576    HB3  PRO  77           HB1      PRO  77 -14.855  -7.447  10.027
  577    HG2  PRO  77           HG2      PRO  77 -12.328  -5.932  10.474
  578    HG3  PRO  77           HG1      PRO  77 -12.929  -7.378  11.302
  579    HD2  PRO  77           HD2      PRO  77 -11.057  -7.291   9.162
  580    HD3  PRO  77           HD1      PRO  77 -11.865  -8.738   9.826
  581    H    ASP  78           HN       ASP  78 -12.156  -6.450   6.443
  582    HA   ASP  78           HA       ASP  78 -12.274  -3.577   6.366
  583    HB2  ASP  78           HB2      ASP  78 -10.979  -3.939   8.401
  584    HB3  ASP  78           HB1      ASP  78  -9.906  -5.040   7.549
  585    H    VAL  79           HN       VAL  79 -10.804  -2.702   4.848
  586    HA   VAL  79           HA       VAL  79 -10.723  -4.068   2.390
  587    HB   VAL  79           HB       VAL  79 -10.947  -1.681   2.453
  588   HG11  VAL  79          HG11      VAL  79  -9.131  -0.213   3.236
  589   HG12  VAL  79          HG12      VAL  79  -8.284  -1.640   3.835
  590   HG13  VAL  79          HG13      VAL  79  -9.847  -1.189   4.519
  591   HG21  VAL  79          HG21      VAL  79  -9.054  -0.880   1.048
  592   HG22  VAL  79          HG22      VAL  79  -9.820  -2.370   0.472
  593   HG23  VAL  79          HG23      VAL  79  -8.270  -2.439   1.318
  594    H    ALA  80           HN       ALA  80  -8.686  -4.273   5.052
  595    HA   ALA  80           HA       ALA  80  -6.124  -4.567   4.083
  596    HB1  ALA  80           HB1      ALA  80  -6.394  -4.549   6.400
  597    HB2  ALA  80           HB2      ALA  80  -5.848  -6.183   6.028
  598    HB3  ALA  80           HB3      ALA  80  -7.558  -5.881   6.373
  599    H    GLN  81           HN       GLN  81  -8.581  -7.162   4.378
  600    HA   GLN  81           HA       GLN  81  -6.817  -9.191   3.462
  601    HB2  GLN  81           HB2      GLN  81  -9.402  -9.070   4.554
  602    HB3  GLN  81           HB1      GLN  81  -9.569  -9.865   2.993
  603    HG2  GLN  81           HG2      GLN  81  -7.519 -10.689   5.019
  604    HG3  GLN  81           HG1      GLN  81  -9.154 -11.350   4.993
  605   HE21  GLN  81          HE21      GLN  81  -6.508 -12.581   4.550
  606   HE22  GLN  81          HE22      GLN  81  -6.621 -13.376   3.015
  607    H    ARG  82           HN       ARG  82  -9.254  -7.213   1.890
  608    HA   ARG  82           HA       ARG  82  -9.232  -8.308  -0.657
  609    HE   ARG  82           HE       ARG  82 -12.600  -6.186  -1.365
  610    HB2  ARG  82           HB2      ARG  82 -10.738  -6.497   0.117
  611    HB3  ARG  82           HB1      ARG  82  -9.379  -5.381   0.112
  612    HG2  ARG  82           HG2      ARG  82 -10.556  -4.959  -1.868
  613    HG3  ARG  82           HG1      ARG  82  -9.140  -5.900  -2.337
  614    HD2  ARG  82           HD2      ARG  82 -11.092  -6.716  -3.514
  615    HD3  ARG  82           HD1      ARG  82 -10.526  -7.935  -2.372
  616   HH11  ARG  82          HH11      ARG  82 -11.938  -9.157  -3.103
  617   HH12  ARG  82          HH12      ARG  82 -13.426  -9.920  -2.611
  618   HH21  ARG  82          HH21      ARG  82 -14.548  -7.154  -0.742
  619   HH22  ARG  82          HH22      ARG  82 -14.919  -8.775  -1.255
  620    H    LEU  83           HN       LEU  83  -6.989  -6.140   0.922
  621    HA   LEU  83           HA       LEU  83  -5.403  -5.605  -1.398
  622    HG   LEU  83           HG       LEU  83  -2.771  -5.147   0.566
  623    HB2  LEU  83           HB2      LEU  83  -5.542  -3.975   0.346
  624    HB3  LEU  83           HB1      LEU  83  -5.006  -5.129   1.548
  625   HD11  LEU  83          HD11      LEU  83  -2.157  -3.598  -1.200
  626   HD12  LEU  83          HD12      LEU  83  -3.830  -3.054  -1.330
  627   HD13  LEU  83          HD13      LEU  83  -3.403  -4.709  -1.766
  628   HD21  LEU  83          HD21      LEU  83  -2.100  -3.034   1.370
  629   HD22  LEU  83          HD22      LEU  83  -3.546  -3.457   2.284
  630   HD23  LEU  83          HD23      LEU  83  -3.648  -2.300   0.956
  631    H    MET  84           HN       MET  84  -5.142  -7.781   1.377
  632    HA   MET  84           HA       MET  84  -2.560  -8.696   1.163
  633    HB2  MET  84           HB2      MET  84  -5.005 -10.353   1.734
  634    HB3  MET  84           HB1      MET  84  -3.360 -10.856   2.063
  635    HG2  MET  84           HG2      MET  84  -3.138  -9.015   3.660
  636    HG3  MET  84           HG1      MET  84  -4.807  -8.547   3.335
  637    HE1  MET  84           HE1      MET  84  -3.728  -9.146   6.293
  638    HE2  MET  84           HE2      MET  84  -5.095 -10.068   6.922
  639    HE3  MET  84           HE3      MET  84  -5.378  -8.661   5.899
  640    H    GLN  85           HN       GLN  85  -5.391 -10.027  -0.477
  641    HA   GLN  85           HA       GLN  85  -3.957 -12.030  -1.864
  642    HB2  GLN  85           HB2      GLN  85  -6.685 -10.838  -2.334
  643    HB3  GLN  85           HB1      GLN  85  -6.066 -12.241  -3.196
  644    HG2  GLN  85           HG2      GLN  85  -6.460 -12.052  -0.217
  645    HG3  GLN  85           HG1      GLN  85  -7.540 -12.867  -1.348
  646   HE21  GLN  85          HE21      GLN  85  -6.912 -14.797  -2.280
  647   HE22  GLN  85          HE22      GLN  85  -5.581 -15.731  -1.675
  648    H    HIS  86           HN       HIS  86  -4.678  -8.694  -2.586
  649    HA   HIS  86           HA       HIS  86  -4.384  -8.897  -5.398
  650    HD1  HIS  86           HD1      HIS  86  -5.207  -7.549  -7.150
  651    HD2  HIS  86           HD2      HIS  86  -3.276  -4.366  -5.295
  652    HE1  HIS  86           HE1      HIS  86  -4.643  -5.929  -8.994
  653    HE2  HIS  86           HE2      HIS  86  -3.739  -3.898  -7.810
  654    HB2  HIS  86           HB2      HIS  86  -5.564  -7.018  -4.279
  655    HB3  HIS  86           HB1      HIS  86  -4.009  -6.421  -3.706
  656    H    LEU  87           HN       LEU  87  -2.041  -8.715  -2.843
  657    HA   LEU  87           HA       LEU  87   0.078  -8.007  -4.695
  658    HG   LEU  87           HG       LEU  87   1.552  -6.642  -1.689
  659    HB2  LEU  87           HB2      LEU  87   0.030  -8.705  -1.778
  660    HB3  LEU  87           HB1      LEU  87   1.541  -8.743  -2.665
  661   HD11  LEU  87          HD11      LEU  87   1.182  -5.016  -3.508
  662   HD12  LEU  87          HD12      LEU  87   0.364  -6.278  -4.429
  663   HD13  LEU  87          HD13      LEU  87   2.071  -6.448  -4.025
  664   HD21  LEU  87          HD21      LEU  87  -0.299  -5.137  -1.504
  665   HD22  LEU  87          HD22      LEU  87  -0.797  -6.726  -0.902
  666   HD23  LEU  87          HD23      LEU  87  -1.309  -6.188  -2.503
  667    H    ALA  88           HN       ALA  88  -1.104 -10.878  -3.024
  668    HA   ALA  88           HA       ALA  88   1.002 -12.600  -3.780
  669    HB1  ALA  88           HB1      ALA  88  -0.439 -14.404  -3.046
  670    HB2  ALA  88           HB2      ALA  88  -1.834 -13.327  -3.068
  671    HB3  ALA  88           HB3      ALA  88  -0.528 -13.052  -1.916
  672    H    GLU  89           HN       GLU  89  -1.656 -11.387  -5.571
  673    HA   GLU  89           HA       GLU  89  -1.937 -13.639  -7.330
  674    HB2  GLU  89           HB2      GLU  89  -3.462 -12.182  -8.590
  675    HB3  GLU  89           HB1      GLU  89  -3.853 -12.261  -6.881
  676    HG2  GLU  89           HG2      GLU  89  -2.899 -10.109  -6.492
  677    HG3  GLU  89           HG1      GLU  89  -2.284 -10.031  -8.140
  678    H    HIS  90           HN       HIS  90   0.370 -11.171  -7.169
  679    HA   HIS  90           HA       HIS  90   0.906 -11.477 -10.059
  680    HD1  HIS  90           HD1      HIS  90   0.097  -9.609 -11.976
  681    HD2  HIS  90           HD2      HIS  90  -1.387  -8.118  -8.386
  682    HE1  HIS  90           HE1      HIS  90  -2.198  -8.732 -12.502
  683    HE2  HIS  90           HE2      HIS  90  -3.178  -8.120 -10.262
  684    HB2  HIS  90           HB2      HIS  90   1.184  -8.977  -8.401
  685    HB3  HIS  90           HB1      HIS  90   1.887  -9.158 -10.003
  686    H    GLY  91           HN       GLY  91   2.074 -12.686  -7.450
  687    HA2  GLY  91           HA2      GLY  91   4.148 -13.484  -6.838
  688    HA3  GLY  91           HA1      GLY  91   4.697 -13.027  -8.445
  689    H    ILE  92           HN       ILE  92   3.446 -11.084  -5.802
  690    HA   ILE  92           HA       ILE  92   5.548  -9.107  -6.112
  691    HB   ILE  92           HB       ILE  92   3.145  -9.337  -4.301
  692   HG12  ILE  92          HG12      ILE  92   2.616  -9.013  -6.643
  693   HG13  ILE  92          HG11      ILE  92   2.277  -7.540  -5.750
  694   HG21  ILE  92          HG21      ILE  92   5.045  -7.021  -4.597
  695   HG22  ILE  92          HG22      ILE  92   4.868  -8.047  -3.174
  696   HG23  ILE  92          HG23      ILE  92   3.536  -7.011  -3.686
  697   HD11  ILE  92          HD11      ILE  92   3.315  -7.067  -7.887
  698   HD12  ILE  92          HD12      ILE  92   4.710  -8.048  -7.435
  699   HD13  ILE  92          HD13      ILE  92   4.350  -6.563  -6.552
  700    H    GLN  93           HN       GLN  93   7.090  -8.590  -4.511
  701    HA   GLN  93           HA       GLN  93   8.023 -10.855  -3.021
  702    HB2  GLN  93           HB2      GLN  93   9.021  -8.049  -3.410
  703    HB3  GLN  93           HB1      GLN  93   9.755  -9.100  -2.208
  704    HG2  GLN  93           HG2      GLN  93  11.015  -9.146  -4.271
  705    HG3  GLN  93           HG1      GLN  93  10.296 -10.721  -3.949
  706   HE21  GLN  93          HE21      GLN  93   8.678 -11.496  -5.291
  707   HE22  GLN  93          HE22      GLN  93   8.310 -10.763  -6.819
  708    HA   PRO  94           HA       PRO  94   5.781  -9.565   0.613
  709    HB2  PRO  94           HB2      PRO  94   5.548 -12.001   1.685
  710    HB3  PRO  94           HB1      PRO  94   4.632 -11.534   0.249
  711    HG2  PRO  94           HG2      PRO  94   6.977 -13.325   0.488
  712    HG3  PRO  94           HG1      PRO  94   5.674 -13.329  -0.710
  713    HD2  PRO  94           HD2      PRO  94   8.292 -12.216  -0.982
  714    HD3  PRO  94           HD1      PRO  94   6.957 -12.142  -2.147
  715    H    ALA  95           HN       ALA  95   6.357  -9.024   2.654
  716    HA   ALA  95           HA       ALA  95   8.919 -10.001   3.701
  717    HB1  ALA  95           HB1      ALA  95   8.522  -7.557   3.755
  718    HB2  ALA  95           HB2      ALA  95   8.735  -8.238   5.364
  719    HB3  ALA  95           HB3      ALA  95   7.120  -7.831   4.791
  720    H    ARG  96           HN       ARG  96   5.899 -10.967   3.575
  721    HA   ARG  96           HA       ARG  96   5.078 -11.611   6.175
  722    HE   ARG  96           HE       ARG  96   0.417 -12.068   5.851
  723    HB2  ARG  96           HB2      ARG  96   3.865 -11.749   3.863
  724    HB3  ARG  96           HB1      ARG  96   4.547 -13.365   3.794
  725    HG2  ARG  96           HG2      ARG  96   2.281 -13.438   4.606
  726    HG3  ARG  96           HG1      ARG  96   3.398 -13.931   5.879
  727    HD2  ARG  96           HD2      ARG  96   3.081 -11.997   7.093
  728    HD3  ARG  96           HD1      ARG  96   2.559 -11.075   5.685
  729   HH11  ARG  96          HH11      ARG  96   2.560 -12.978   8.477
  730   HH12  ARG  96          HH12      ARG  96   1.260 -13.440   9.543
  731   HH21  ARG  96          HH21      ARG  96  -1.276 -12.682   7.232
  732   HH22  ARG  96          HH22      ARG  96  -0.927 -13.302   8.819
  733    H    ASN  97           HN       ASN  97   7.194 -13.206   3.886
  734    HA   ASN  97           HA       ASN  97   8.207 -14.897   6.041
  735    HB2  ASN  97           HB2      ASN  97   8.495 -16.764   4.330
  736    HB3  ASN  97           HB1      ASN  97   6.852 -16.467   4.883
  737   HD21  ASN  97          HD21      ASN  97   5.356 -15.551   3.456
  738   HD22  ASN  97          HD22      ASN  97   5.628 -15.518   1.750
  739    H    MET  98           HN       MET  98  10.056 -13.825   6.320
  740    HA   MET  98           HA       MET  98  12.136 -12.994   5.967
  741    HB2  MET  98           HB2      MET  98  11.919 -14.624   3.437
  742    HB3  MET  98           HB1      MET  98  13.343 -13.667   3.821
  743    HG2  MET  98           HG2      MET  98  12.226 -15.841   5.574
  744    HG3  MET  98           HG1      MET  98  13.543 -16.057   4.421
  745    HE1  MET  98           HE1      MET  98  15.209 -13.382   4.674
  746    HE2  MET  98           HE2      MET  98  15.920 -14.996   4.655
  747    HE3  MET  98           HE3      MET  98  16.376 -13.845   5.912
  748    H    ALA  99           HN       ALA  99  13.405 -11.703   4.016
  749    HA   ALA  99           HA       ALA  99  11.587 -10.113   2.445
  750    HB1  ALA  99           HB1      ALA  99  11.349  -9.058   4.637
  751    HB2  ALA  99           HB2      ALA  99  12.141  -7.975   3.491
  752    HB3  ALA  99           HB3      ALA  99  13.093  -8.816   4.715
  753    H    GLU 100           HN       GLU 100  12.882 -10.825   0.719
  754    HA   GLU 100           HA       GLU 100  15.681 -10.083   0.687
  755    HB2  GLU 100           HB2      GLU 100  14.895 -12.157  -0.445
  756    HB3  GLU 100           HB1      GLU 100  13.978 -11.162  -1.570
  757    HG2  GLU 100           HG2      GLU 100  16.039 -10.130  -2.357
  758    HG3  GLU 100           HG1      GLU 100  16.969 -11.100  -1.219
  759    H    HIS 101           HN       HIS 101  15.384  -7.867   1.047
  760    HA   HIS 101           HA       HIS 101  14.049  -6.282  -0.990
  761    HD1  HIS 101           HD1      HIS 101  12.032  -4.693   0.336
  762    HD2  HIS 101           HD2      HIS 101  15.619  -2.587   0.383
  763    HE1  HIS 101           HE1      HIS 101  11.400  -2.302  -0.018
  764    HE2  HIS 101           HE2      HIS 101  13.570  -1.017   0.158
  765    HB2  HIS 101           HB2      HIS 101  14.076  -5.881   1.590
  766    HB3  HIS 101           HB1      HIS 101  15.661  -5.182   1.295
  767    H    ILE 102           HN       ILE 102  15.183  -6.143  -2.832
  768    HA   ILE 102           HA       ILE 102  17.965  -6.610  -2.983
  769    HB   ILE 102           HB       ILE 102  16.158  -5.368  -5.063
  770   HG12  ILE 102          HG12      ILE 102  16.995  -8.248  -4.643
  771   HG13  ILE 102          HG11      ILE 102  15.399  -7.591  -4.301
  772   HG21  ILE 102          HG21      ILE 102  18.503  -4.955  -5.549
  773   HG22  ILE 102          HG22      ILE 102  17.852  -6.152  -6.669
  774   HG23  ILE 102          HG23      ILE 102  18.871  -6.666  -5.324
  775   HD11  ILE 102          HD11      ILE 102  15.404  -8.800  -6.396
  776   HD12  ILE 102          HD12      ILE 102  16.702  -7.775  -7.007
  777   HD13  ILE 102          HD13      ILE 102  15.112  -7.084  -6.681
  778    HA   PRO 103           HA       PRO 103  19.358  -2.455  -1.984
  779    HB2  PRO 103           HB2      PRO 103  21.999  -3.622  -2.525
  780    HB3  PRO 103           HB1      PRO 103  21.376  -2.914  -1.032
  781    HG2  PRO 103           HG2      PRO 103  21.809  -5.558  -1.276
  782    HG3  PRO 103           HG1      PRO 103  20.473  -4.909  -0.306
  783    HD2  PRO 103           HD2      PRO 103  20.422  -6.058  -3.074
  784    HD3  PRO 103           HD1      PRO 103  19.287  -6.311  -1.729
  785    HA   PRO 104           HA       PRO 104  19.660  -1.042  -6.192
  786    HB2  PRO 104           HB2      PRO 104  20.624   1.473  -5.576
  787    HB3  PRO 104           HB1      PRO 104  18.916   1.020  -5.571
  788    HG2  PRO 104           HG2      PRO 104  20.830   1.232  -3.287
  789    HG3  PRO 104           HG1      PRO 104  19.122   1.702  -3.367
  790    HD2  PRO 104           HD2      PRO 104  19.904  -0.560  -2.153
  791    HD3  PRO 104           HD1      PRO 104  18.380  -0.472  -3.061
  792    H    ALA 105           HN       ALA 105  21.235  -1.603  -7.523
  793    HA   ALA 105           HA       ALA 105  23.924  -1.960  -6.775
  794    HB1  ALA 105           HB1      ALA 105  22.757  -1.656  -9.543
  795    HB2  ALA 105           HB2      ALA 105  22.903  -3.166  -8.643
  796    HB3  ALA 105           HB3      ALA 105  24.352  -2.305  -9.161
  797    HA   PRO 106           HA       PRO 106  25.408   2.203  -6.961
  798    HB2  PRO 106           HB2      PRO 106  28.094   1.089  -7.298
  799    HB3  PRO 106           HB1      PRO 106  27.416   1.976  -5.931
  800    HG2  PRO 106           HG2      PRO 106  27.988  -0.659  -5.793
  801    HG3  PRO 106           HG1      PRO 106  26.633   0.066  -4.906
  802    HD2  PRO 106           HD2      PRO 106  26.606  -1.481  -7.471
  803    HD3  PRO 106           HD1      PRO 106  25.499  -1.580  -6.085
  804    H    ASN 107           HN       ASN 107  24.357   2.133  -9.199
  805    HA   ASN 107           HA       ASN 107  24.427   2.982 -11.301
  806    HB2  ASN 107           HB2      ASN 107  26.221   4.479 -10.378
  807    HB3  ASN 107           HB1      ASN 107  27.415   3.307 -10.914
  808   HD21  ASN 107          HD21      ASN 107  28.414   4.717 -12.308
  809   HD22  ASN 107          HD22      ASN 107  27.684   5.263 -13.776
  810    H    TRP 108           HN       TRP 108  25.471   2.560 -13.518
  811    HA   TRP 108           HA       TRP 108  26.256  -0.271 -13.675
  812    HD1  TRP 108           HD1      TRP 108  22.996   1.552 -13.425
  813    HE1  TRP 108           HE1      TRP 108  21.023  -0.032 -12.962
  814    HE3  TRP 108           HE3      TRP 108  24.450  -2.405 -16.314
  815    HZ2  TRP 108           HZ2      TRP 108  20.199  -2.628 -13.722
  816    HZ3  TRP 108           HZ3      TRP 108  23.018  -4.400 -16.391
  817    HH2  TRP 108           HH2      TRP 108  20.934  -4.507 -15.120
  818    HB2  TRP 108           HB2      TRP 108  24.773   1.447 -15.676
  819    HB3  TRP 108           HB1      TRP 108  25.339  -0.188 -16.000
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  -6.312  19.722  10.770
    2    H2   GLY   1           HT2      GLY   1  -5.510  18.877  11.999
    3    H3   GLY   1           HT3      GLY   1  -7.184  19.147  12.104
    4    HA2  GLY   1           HA1      GLY   1  -6.723  16.870  11.460
    5    HA3  GLY   1           HA2      GLY   1  -7.583  17.748  10.202
    6    H    HIS   2           HN       HIS   2  -6.841  16.495   8.498
    7    HA   HIS   2           HA       HIS   2  -3.995  16.097   8.181
    8    HD1  HIS   2           HD1      HIS   2  -3.286  13.950   8.311
    9    HD2  HIS   2           HD2      HIS   2  -7.174  12.828   7.359
   10    HE1  HIS   2           HE1      HIS   2  -3.621  11.698   9.375
   11    HE2  HIS   2           HE2      HIS   2  -5.867  10.926   8.529
   12    HB2  HIS   2           HB2      HIS   2  -6.382  15.274   6.541
   13    HB3  HIS   2           HB1      HIS   2  -4.738  15.063   5.953
   14    H    MET   3           HN       MET   3  -3.208  18.209   7.983
   15    HA   MET   3           HA       MET   3  -3.995  19.708   5.598
   16    HB2  MET   3           HB2      MET   3  -3.592  20.875   7.787
   17    HB3  MET   3           HB1      MET   3  -1.900  20.413   7.667
   18    HG2  MET   3           HG2      MET   3  -2.256  22.705   6.955
   19    HG3  MET   3           HG1      MET   3  -1.664  21.702   5.631
   20    HE1  MET   3           HE1      MET   3  -2.884  24.528   5.011
   21    HE2  MET   3           HE2      MET   3  -3.929  24.137   3.645
   22    HE3  MET   3           HE3      MET   3  -2.339  23.384   3.785
   23    H    SER   4           HN       SER   4  -2.159  17.162   6.258
   24    HA   SER   4           HA       SER   4   0.323  17.611   5.041
   25    HG   SER   4           HG       SER   4  -1.532  14.135   6.025
   26    HB2  SER   4           HB2      SER   4   0.175  15.046   4.720
   27    HB3  SER   4           HB1      SER   4   0.125  15.679   6.367
   28    H    GLY   5           HN       GLY   5  -2.831  17.171   3.720
   29    HA2  GLY   5           HA2      GLY   5  -3.147  17.927   1.421
   30    HA3  GLY   5           HA1      GLY   5  -1.644  17.108   1.019
   31    H    PHE   6           HN       PHE   6  -2.990  15.065   3.100
   32    HA   PHE   6           HA       PHE   6  -3.775  13.218   1.092
   33    HD1  PHE   6           HD2      PHE   6  -1.443  13.741   3.901
   34    HD2  PHE   6           HD1      PHE   6  -3.108  10.210   2.207
   35    HE1  PHE   6           HE2      PHE   6   0.804  12.746   3.768
   36    HE2  PHE   6           HE1      PHE   6  -0.864   9.214   2.069
   37    HZ   PHE   6           HZ       PHE   6   1.094  10.480   2.851
   38    HB2  PHE   6           HB2      PHE   6  -3.882  13.161   4.098
   39    HB3  PHE   6           HB1      PHE   6  -4.526  11.845   3.125
   40    H    LYS   7           HN       LYS   7  -5.429  14.409   0.023
   41    HA   LYS   7           HA       LYS   7  -7.992  13.471   0.908
   42    HB2  LYS   7           HB2      LYS   7  -9.126  15.674   0.709
   43    HB3  LYS   7           HB1      LYS   7  -8.023  15.582   2.071
   44    HG2  LYS   7           HG2      LYS   7  -6.348  16.836   0.790
   45    HG3  LYS   7           HG1      LYS   7  -7.482  16.951  -0.558
   46    HD2  LYS   7           HD2      LYS   7  -9.060  18.161   0.883
   47    HD3  LYS   7           HD1      LYS   7  -7.910  18.057   2.218
   48    HE2  LYS   7           HE2      LYS   7  -7.505  19.492  -0.400
   49    HE3  LYS   7           HE1      LYS   7  -7.780  20.237   1.173
   50    HZ1  LYS   7           HZ1      LYS   7  -5.674  18.977   1.857
   51    HZ2  LYS   7           HZ2      LYS   7  -5.500  20.360   0.894
   52    HZ3  LYS   7           HZ3      LYS   7  -5.382  18.819   0.190
   53    H    HIS   8           HN       HIS   8  -8.243  12.282  -0.872
   54    HA   HIS   8           HA       HIS   8  -8.543  11.692  -3.043
   55    HD1  HIS   8           HD1      HIS   8  -9.811  15.262  -5.662
   56    HD2  HIS   8           HD2      HIS   8 -10.203  11.159  -5.119
   57    HE1  HIS   8           HE1      HIS   8 -10.400  14.333  -7.922
   58    HE2  HIS   8           HE2      HIS   8 -10.453  11.834  -7.606
   59    HB2  HIS   8           HB2      HIS   8 -10.402  13.298  -2.858
   60    HB3  HIS   8           HB1      HIS   8  -9.328  14.606  -3.341
   61    H    VAL   9           HN       VAL   9  -5.915  12.163  -2.385
   62    HA   VAL   9           HA       VAL   9  -4.874  13.308  -4.872
   63    HB   VAL   9           HB       VAL   9  -2.681  13.458  -3.572
   64   HG11  VAL   9          HG11      VAL   9  -3.265  15.627  -2.604
   65   HG12  VAL   9          HG12      VAL   9  -4.977  15.227  -2.742
   66   HG13  VAL   9          HG13      VAL   9  -3.994  15.413  -4.196
   67   HG21  VAL   9          HG21      VAL   9  -2.898  13.707  -1.130
   68   HG22  VAL   9          HG22      VAL   9  -3.262  12.071  -1.675
   69   HG23  VAL   9          HG23      VAL   9  -4.574  13.167  -1.243
   70    H    SER  10           HN       SER  10  -4.623  11.613  -6.221
   71    HA   SER  10           HA       SER  10  -3.825   9.035  -5.224
   72    HG   SER  10           HG       SER  10  -5.995   8.365  -7.487
   73    HB2  SER  10           HB2      SER  10  -4.059  10.000  -8.078
   74    HB3  SER  10           HB1      SER  10  -3.898   8.323  -7.553
   75    H    HIS  11           HN       HIS  11  -2.076  11.622  -5.248
   76    HA   HIS  11           HA       HIS  11   0.342  10.322  -6.232
   77    HD1  HIS  11           HD1      HIS  11  -1.214  14.027  -7.266
   78    HD2  HIS  11           HD2      HIS  11   2.199  11.775  -8.029
   79    HE1  HIS  11           HE1      HIS  11  -0.717  14.356  -9.707
   80    HE2  HIS  11           HE2      HIS  11   1.265  12.858 -10.182
   81    HB2  HIS  11           HB2      HIS  11  -0.205  13.086  -5.182
   82    HB3  HIS  11           HB1      HIS  11   1.441  12.465  -5.300
   83    H    VAL  12           HN       VAL  12  -1.316  11.278  -3.309
   84    HA   VAL  12           HA       VAL  12  -1.217  10.560  -1.168
   85    HB   VAL  12           HB       VAL  12   0.441   8.249  -2.128
   86   HG11  VAL  12          HG11      VAL  12  -0.690   7.030  -0.344
   87   HG12  VAL  12          HG12      VAL  12  -1.558   8.499   0.102
   88   HG13  VAL  12          HG13      VAL  12   0.195   8.423   0.275
   89   HG21  VAL  12          HG21      VAL  12  -1.645   7.062  -2.616
   90   HG22  VAL  12          HG22      VAL  12  -1.440   8.477  -3.652
   91   HG23  VAL  12          HG23      VAL  12  -2.553   8.537  -2.283
   92    H    GLY  13           HN       GLY  13   1.886   9.468  -2.355
   93    HA2  GLY  13           HA2      GLY  13   3.733  11.112  -1.286
   94    HA3  GLY  13           HA1      GLY  13   3.248  10.115   0.093
   95    H    TRP  14           HN       TRP  14   3.390   9.324  -3.308
   96    HA   TRP  14           HA       TRP  14   5.067   6.999  -2.672
   97    HD1  TRP  14           HD1      TRP  14   4.234   3.930  -3.161
   98    HE1  TRP  14           HE1      TRP  14   4.409   2.455  -5.258
   99    HE3  TRP  14           HE3      TRP  14   2.464   7.247  -6.630
  100    HZ2  TRP  14           HZ2      TRP  14   3.862   2.670  -8.025
  101    HZ3  TRP  14           HZ3      TRP  14   2.319   6.531  -8.981
  102    HH2  TRP  14           HH2      TRP  14   3.004   4.289  -9.662
  103    HB2  TRP  14           HB2      TRP  14   2.826   6.193  -2.716
  104    HB3  TRP  14           HB1      TRP  14   2.422   7.173  -4.116
  105    H    ASP  15           HN       ASP  15   6.518   6.400  -4.238
  106    HA   ASP  15           HA       ASP  15   6.407   7.863  -6.791
  107    HB2  ASP  15           HB2      ASP  15   8.298   8.547  -5.181
  108    HB3  ASP  15           HB1      ASP  15   8.980   6.963  -5.533
  109    HA   PRO  16           HA       PRO  16   5.668   4.069  -8.711
  110    HB2  PRO  16           HB2      PRO  16   7.463   4.399 -10.876
  111    HB3  PRO  16           HB1      PRO  16   5.744   4.790 -10.833
  112    HG2  PRO  16           HG2      PRO  16   8.098   6.562 -10.456
  113    HG3  PRO  16           HG1      PRO  16   6.499   6.934 -11.126
  114    HD2  PRO  16           HD2      PRO  16   7.214   7.752  -8.674
  115    HD3  PRO  16           HD1      PRO  16   5.550   7.228  -9.030
  116    H    GLN  17           HN       GLN  17   9.171   4.842  -8.768
  117    HA   GLN  17           HA       GLN  17   9.689   1.956  -8.704
  118    HB2  GLN  17           HB2      GLN  17  10.603   3.375 -10.541
  119    HB3  GLN  17           HB1      GLN  17  11.621   4.170  -9.352
  120    HG2  GLN  17           HG2      GLN  17  12.913   2.515 -10.484
  121    HG3  GLN  17           HG1      GLN  17  12.636   1.972  -8.831
  122   HE21  GLN  17          HE21      GLN  17  10.208   1.848 -11.346
  123   HE22  GLN  17          HE22      GLN  17  10.140   0.120 -11.465
  124    H    ASN  18           HN       ASN  18   9.447   4.419  -6.532
  125    HA   ASN  18           HA       ASN  18  11.627   3.356  -4.854
  126    HB2  ASN  18           HB2      ASN  18  10.374   6.089  -4.903
  127    HB3  ASN  18           HB1      ASN  18  11.349   5.518  -3.554
  128   HD21  ASN  18          HD21      ASN  18  13.107   3.959  -5.305
  129   HD22  ASN  18          HD22      ASN  18  14.150   5.116  -6.067
  130    H    GLY  19           HN       GLY  19   8.223   3.934  -5.046
  131    HA2  GLY  19           HA2      GLY  19   6.688   2.607  -3.834
  132    HA3  GLY  19           HA1      GLY  19   7.910   2.372  -2.592
  133    H    PHE  20           HN       PHE  20   6.005   2.885  -1.248
  134    HA   PHE  20           HA       PHE  20   5.055   5.594  -1.136
  135    HD1  PHE  20           HD2      PHE  20   2.332   5.747  -0.488
  136    HD2  PHE  20           HD1      PHE  20   3.662   1.708  -0.670
  137    HE1  PHE  20           HE2      PHE  20   0.330   5.147  -1.789
  138    HE2  PHE  20           HE1      PHE  20   1.667   1.103  -1.970
  139    HZ   PHE  20           HZ       PHE  20  -0.072   2.835  -2.427
  140    HB2  PHE  20           HB2      PHE  20   4.761   3.225   0.722
  141    HB3  PHE  20           HB1      PHE  20   4.075   4.803   1.080
  142    H    ASP  21           HN       ASP  21   5.732   7.215   0.187
  143    HA   ASP  21           HA       ASP  21   8.247   6.991   1.512
  144    HB2  ASP  21           HB2      ASP  21   6.127   9.137   1.489
  145    HB3  ASP  21           HB1      ASP  21   7.554   9.257   2.510
  146    H    VAL  22           HN       VAL  22   8.234   5.490   3.077
  147    HA   VAL  22           HA       VAL  22   6.116   5.040   4.886
  148    HB   VAL  22           HB       VAL  22   7.810   3.732   6.184
  149   HG11  VAL  22          HG11      VAL  22   7.638   3.194   3.219
  150   HG12  VAL  22          HG12      VAL  22   6.458   2.705   4.435
  151   HG13  VAL  22          HG13      VAL  22   8.080   2.014   4.453
  152   HG21  VAL  22          HG21      VAL  22  10.017   3.389   5.239
  153   HG22  VAL  22          HG22      VAL  22   9.779   5.107   5.569
  154   HG23  VAL  22          HG23      VAL  22   9.652   4.498   3.916
  155    H    ASN  23           HN       ASN  23   8.261   7.580   4.732
  156    HA   ASN  23           HA       ASN  23   8.107   8.153   7.599
  157    HB2  ASN  23           HB2      ASN  23   9.721   9.896   7.190
  158    HB3  ASN  23           HB1      ASN  23  10.279   8.440   6.374
  159   HD21  ASN  23          HD21      ASN  23   9.330  11.695   6.039
  160   HD22  ASN  23          HD22      ASN  23   9.515  11.811   4.321
  161    H    ASN  24           HN       ASN  24   6.415   8.703   4.762
  162    HA   ASN  24           HA       ASN  24   5.125  11.121   5.863
  163    HB2  ASN  24           HB2      ASN  24   5.613  10.279   3.010
  164    HB3  ASN  24           HB1      ASN  24   4.354  11.438   3.421
  165   HD21  ASN  24          HD21      ASN  24   6.831  11.689   1.847
  166   HD22  ASN  24          HD22      ASN  24   7.689  13.017   2.556
  167    H    LEU  25           HN       LEU  25   4.700   8.079   6.063
  168    HA   LEU  25           HA       LEU  25   2.346   7.440   4.654
  169    HG   LEU  25           HG       LEU  25   4.549   5.664   4.653
  170    HB2  LEU  25           HB2      LEU  25   3.815   6.215   6.947
  171    HB3  LEU  25           HB1      LEU  25   2.205   5.638   6.557
  172   HD11  LEU  25          HD11      LEU  25   4.815   4.071   6.523
  173   HD12  LEU  25          HD12      LEU  25   4.617   3.273   4.963
  174   HD13  LEU  25          HD13      LEU  25   3.264   3.347   6.092
  175   HD21  LEU  25          HD21      LEU  25   2.377   5.864   3.547
  176   HD22  LEU  25          HD22      LEU  25   1.805   4.440   4.417
  177   HD23  LEU  25          HD23      LEU  25   3.113   4.291   3.243
  178    H    ASP  26           HN       ASP  26   0.303   7.787   5.046
  179    HA   ASP  26           HA       ASP  26  -0.584   9.426   7.205
  180    HB2  ASP  26           HB2      ASP  26  -1.645   9.455   4.967
  181    HB3  ASP  26           HB1      ASP  26  -2.179   7.794   5.206
  182    HA   PRO  27           HA       PRO  27  -1.099   6.529  10.467
  183    HB2  PRO  27           HB2      PRO  27  -3.650   8.020  10.890
  184    HB3  PRO  27           HB1      PRO  27  -2.380   7.604  12.048
  185    HG2  PRO  27           HG2      PRO  27  -2.567  10.074  11.074
  186    HG3  PRO  27           HG1      PRO  27  -0.987   9.314  11.338
  187    HD2  PRO  27           HD2      PRO  27  -2.446   9.811   8.792
  188    HD3  PRO  27           HD1      PRO  27  -0.702   9.794   9.115
  189    H    ASP  28           HN       ASP  28  -3.667   6.991   8.097
  190    HA   ASP  28           HA       ASP  28  -5.095   4.641   9.040
  191    HB2  ASP  28           HB2      ASP  28  -6.095   6.784   7.910
  192    HB3  ASP  28           HB1      ASP  28  -5.661   5.967   6.412
  193    H    LEU  29           HN       LEU  29  -3.239   5.578   6.125
  194    HA   LEU  29           HA       LEU  29  -2.986   3.104   4.920
  195    HG   LEU  29           HG       LEU  29  -2.205   4.114   2.669
  196    HB2  LEU  29           HB2      LEU  29  -1.265   5.529   5.143
  197    HB3  LEU  29           HB1      LEU  29  -0.585   4.085   4.424
  198   HD11  LEU  29          HD11      LEU  29  -4.146   4.872   3.911
  199   HD12  LEU  29          HD12      LEU  29  -3.906   5.813   2.439
  200   HD13  LEU  29          HD13      LEU  29  -3.455   6.491   4.006
  201   HD21  LEU  29          HD21      LEU  29  -0.252   5.514   2.363
  202   HD22  LEU  29          HD22      LEU  29  -1.081   6.856   3.151
  203   HD23  LEU  29          HD23      LEU  29  -1.660   6.253   1.597
  204    H    ARG  30           HN       ARG  30  -1.040   4.555   7.487
  205    HA   ARG  30           HA       ARG  30   0.822   2.521   7.862
  206    HE   ARG  30           HE       ARG  30   2.621   3.265  12.726
  207    HB2  ARG  30           HB2      ARG  30   0.924   4.793   8.844
  208    HB3  ARG  30           HB1      ARG  30  -0.375   4.364   9.939
  209    HG2  ARG  30           HG2      ARG  30   2.109   2.723   9.949
  210    HG3  ARG  30           HG1      ARG  30   2.128   4.316  10.703
  211    HD2  ARG  30           HD2      ARG  30   0.075   3.581  11.994
  212    HD3  ARG  30           HD1      ARG  30   0.402   1.953  11.403
  213   HH11  ARG  30          HH11      ARG  30  -0.137   1.133  13.074
  214   HH12  ARG  30          HH12      ARG  30   0.449   0.404  14.538
  215   HH21  ARG  30          HH21      ARG  30   3.370   2.348  14.678
  216   HH22  ARG  30          HH22      ARG  30   2.444   1.089  15.445
  217    H    SER  31           HN       SER  31  -2.468   2.863   9.029
  218    HA   SER  31           HA       SER  31  -2.433   0.623  10.777
  219    HG   SER  31           HG       SER  31  -5.923   1.045  11.192
  220    HB2  SER  31           HB2      SER  31  -4.158   2.455  10.839
  221    HB3  SER  31           HB1      SER  31  -4.810   1.827   9.332
  222    H    LEU  32           HN       LEU  32  -3.667   1.099   7.473
  223    HA   LEU  32           HA       LEU  32  -4.788  -1.440   7.211
  224    HG   LEU  32           HG       LEU  32  -4.152  -1.838   4.183
  225    HB2  LEU  32           HB2      LEU  32  -5.389   0.418   5.756
  226    HB3  LEU  32           HB1      LEU  32  -3.777   0.412   5.059
  227   HD11  LEU  32          HD11      LEU  32  -5.679  -2.613   5.904
  228   HD12  LEU  32          HD12      LEU  32  -6.355  -2.854   4.292
  229   HD13  LEU  32          HD13      LEU  32  -6.925  -1.522   5.301
  230   HD21  LEU  32          HD21      LEU  32  -5.921  -1.292   2.533
  231   HD22  LEU  32          HD22      LEU  32  -4.679  -0.050   2.688
  232   HD23  LEU  32          HD23      LEU  32  -6.258   0.183   3.441
  233    H    PHE  33           HN       PHE  33  -1.683  -0.229   6.006
  234    HA   PHE  33           HA       PHE  33  -1.119  -2.553   4.516
  235    HD1  PHE  33           HD2      PHE  33  -1.807  -1.273   3.082
  236    HD2  PHE  33           HD1      PHE  33   1.286   1.447   4.220
  237    HE1  PHE  33           HE2      PHE  33  -2.675   0.385   1.497
  238    HE2  PHE  33           HE1      PHE  33   0.402   3.105   2.636
  239    HZ   PHE  33           HZ       PHE  33  -1.579   2.579   1.274
  240    HB2  PHE  33           HB2      PHE  33   0.831  -0.487   5.547
  241    HB3  PHE  33           HB1      PHE  33   1.113  -1.620   4.228
  242    H    SER  34           HN       SER  34  -0.284  -1.565   7.774
  243    HA   SER  34           HA       SER  34   1.466  -3.676   8.390
  244    HG   SER  34           HG       SER  34   0.861  -0.556   9.635
  245    HB2  SER  34           HB2      SER  34  -0.375  -2.157  10.243
  246    HB3  SER  34           HB1      SER  34   1.053  -3.086  10.711
  247    H    ARG  35           HN       ARG  35  -2.040  -3.383   8.513
  248    HA   ARG  35           HA       ARG  35  -2.438  -5.922   9.784
  249    HE   ARG  35           HE       ARG  35  -6.342  -4.903  11.182
  250    HB2  ARG  35           HB2      ARG  35  -4.402  -4.215   8.253
  251    HB3  ARG  35           HB1      ARG  35  -4.807  -5.582   9.287
  252    HG2  ARG  35           HG2      ARG  35  -4.003  -4.445  11.218
  253    HG3  ARG  35           HG1      ARG  35  -3.375  -3.140  10.222
  254    HD2  ARG  35           HD2      ARG  35  -5.392  -2.344  11.177
  255    HD3  ARG  35           HD1      ARG  35  -5.732  -2.691   9.484
  256   HH11  ARG  35          HH11      ARG  35  -7.551  -1.817  10.041
  257   HH12  ARG  35          HH12      ARG  35  -9.216  -2.208  10.349
  258   HH21  ARG  35          HH21      ARG  35  -8.515  -5.421  11.599
  259   HH22  ARG  35          HH22      ARG  35  -9.765  -4.285  11.183
  260    H    ALA  36           HN       ALA  36  -2.018  -4.748   6.593
  261    HA   ALA  36           HA       ALA  36  -3.160  -7.043   5.259
  262    HB1  ALA  36           HB1      ALA  36  -2.732  -5.890   3.235
  263    HB2  ALA  36           HB2      ALA  36  -1.524  -4.855   4.001
  264    HB3  ALA  36           HB3      ALA  36  -3.231  -4.659   4.399
  265    H    GLY  37           HN       GLY  37  -0.275  -6.476   6.803
  266    HA2  GLY  37           HA2      GLY  37   1.472  -8.023   6.999
  267    HA3  GLY  37           HA1      GLY  37   0.912  -8.819   5.534
  268    H    ILE  38           HN       ILE  38   0.906  -5.691   4.749
  269    HA   ILE  38           HA       ILE  38   3.271  -5.796   3.192
  270    HB   ILE  38           HB       ILE  38   1.663  -3.342   3.905
  271   HG12  ILE  38          HG12      ILE  38   1.230  -5.182   1.546
  272   HG13  ILE  38          HG11      ILE  38   0.264  -5.243   3.015
  273   HG21  ILE  38          HG21      ILE  38   2.469  -2.523   1.735
  274   HG22  ILE  38          HG22      ILE  38   3.405  -4.005   1.536
  275   HG23  ILE  38          HG23      ILE  38   3.794  -2.885   2.840
  276   HD11  ILE  38          HD11      ILE  38  -0.880  -3.996   1.287
  277   HD12  ILE  38          HD12      ILE  38   0.500  -2.906   1.139
  278   HD13  ILE  38          HD13      ILE  38  -0.445  -2.934   2.628
  279    H    SER  39           HN       SER  39   5.170  -5.852   4.255
  280    HA   SER  39           HA       SER  39   5.652  -4.277   6.604
  281    HG   SER  39           HG       SER  39   9.000  -5.488   6.458
  282    HB2  SER  39           HB2      SER  39   6.643  -6.533   6.291
  283    HB3  SER  39           HB1      SER  39   7.584  -5.896   4.950
  284    H    GLU  40           HN       GLU  40   7.798  -2.953   6.599
  285    HA   GLU  40           HA       GLU  40   7.380  -0.680   5.076
  286    HB2  GLU  40           HB2      GLU  40   8.784  -0.963   7.176
  287    HB3  GLU  40           HB1      GLU  40  10.077  -1.525   6.126
  288    HG2  GLU  40           HG2      GLU  40  10.097   0.600   4.970
  289    HG3  GLU  40           HG1      GLU  40   8.746   1.167   5.954
  290    H    ALA  41           HN       ALA  41   9.471  -3.438   4.417
  291    HA   ALA  41           HA       ALA  41  10.814  -2.434   2.177
  292    HB1  ALA  41           HB1      ALA  41  11.456  -4.491   3.380
  293    HB2  ALA  41           HB2      ALA  41  11.321  -4.737   1.639
  294    HB3  ALA  41           HB3      ALA  41  10.038  -5.299   2.708
  295    H    GLN  42           HN       GLN  42   7.818  -4.349   2.368
  296    HA   GLN  42           HA       GLN  42   7.358  -4.530  -0.381
  297    HB2  GLN  42           HB2      GLN  42   5.512  -4.673   1.984
  298    HB3  GLN  42           HB1      GLN  42   4.893  -4.776   0.343
  299    HG2  GLN  42           HG2      GLN  42   6.512  -6.684  -0.002
  300    HG3  GLN  42           HG1      GLN  42   6.765  -6.657   1.740
  301   HE21  GLN  42          HE21      GLN  42   5.104  -7.323   3.087
  302   HE22  GLN  42          HE22      GLN  42   3.723  -8.163   2.507
  303    H    LEU  43           HN       LEU  43   6.479  -2.006   1.920
  304    HA   LEU  43           HA       LEU  43   4.824  -0.550   0.147
  305    HG   LEU  43           HG       LEU  43   4.317  -1.088   3.007
  306    HB2  LEU  43           HB2      LEU  43   6.347   0.253   2.612
  307    HB3  LEU  43           HB1      LEU  43   5.396   1.401   1.689
  308   HD11  LEU  43          HD11      LEU  43   3.931   1.808   3.744
  309   HD12  LEU  43          HD12      LEU  43   5.014   0.694   4.580
  310   HD13  LEU  43          HD13      LEU  43   3.275   0.400   4.582
  311   HD21  LEU  43          HD21      LEU  43   2.131  -0.141   2.408
  312   HD22  LEU  43          HD22      LEU  43   3.106  -0.517   0.987
  313   HD23  LEU  43          HD23      LEU  43   2.949   1.153   1.529
  314    H    THR  44           HN       THR  44   8.222  -0.893   0.376
  315    HA   THR  44           HA       THR  44   8.603   1.363  -1.481
  316    HB   THR  44           HB       THR  44  11.039   1.200  -0.769
  317    HG1  THR  44           HG1      THR  44  10.066  -0.139   1.529
  318   HG21  THR  44          HG21      THR  44   9.609   2.979   0.072
  319   HG22  THR  44          HG22      THR  44  10.668   2.410   1.364
  320   HG23  THR  44          HG23      THR  44   8.977   1.911   1.325
  321    H    ASP  45           HN       ASP  45   7.798  -1.522  -1.921
  322    HA   ASP  45           HA       ASP  45  10.042  -2.498  -3.537
  323    HB2  ASP  45           HB2      ASP  45   8.895  -4.057  -1.953
  324    HB3  ASP  45           HB1      ASP  45   7.418  -3.853  -2.877
  325    H    ALA  46           HN       ALA  46   9.922  -2.658  -5.769
  326    HA   ALA  46           HA       ALA  46   8.497  -0.651  -7.038
  327    HB1  ALA  46           HB1      ALA  46   9.635  -3.111  -8.350
  328    HB2  ALA  46           HB2      ALA  46  10.549  -1.665  -7.920
  329    HB3  ALA  46           HB3      ALA  46   9.269  -1.569  -9.129
  330    H    GLU  47           HN       GLU  47   7.876  -4.169  -7.488
  331    HA   GLU  47           HA       GLU  47   5.437  -3.633  -8.866
  332    HB2  GLU  47           HB2      GLU  47   5.024  -6.135  -8.559
  333    HB3  GLU  47           HB1      GLU  47   6.427  -5.659  -9.499
  334    HG2  GLU  47           HG2      GLU  47   6.719  -6.251  -6.586
  335    HG3  GLU  47           HG1      GLU  47   6.605  -7.567  -7.751
  336    H    THR  48           HN       THR  48   6.144  -4.837  -5.588
  337    HA   THR  48           HA       THR  48   3.546  -5.206  -4.730
  338    HB   THR  48           HB       THR  48   5.761  -4.096  -3.006
  339    HG1  THR  48           HG1      THR  48   6.654  -5.889  -3.917
  340   HG21  THR  48          HG21      THR  48   3.340  -5.811  -2.414
  341   HG22  THR  48          HG22      THR  48   3.590  -4.137  -1.915
  342   HG23  THR  48          HG23      THR  48   4.606  -5.416  -1.251
  343    H    SER  49           HN       SER  49   5.478  -2.225  -4.480
  344    HA   SER  49           HA       SER  49   3.556  -0.810  -2.990
  345    HG   SER  49           HG       SER  49   5.231   1.444  -2.285
  346    HB2  SER  49           HB2      SER  49   6.012  -0.280  -3.164
  347    HB3  SER  49           HB1      SER  49   5.680   0.400  -4.757
  348    H    LYS  50           HN       LYS  50   4.302  -0.731  -6.500
  349    HA   LYS  50           HA       LYS  50   2.415   1.309  -7.034
  350    HB2  LYS  50           HB2      LYS  50   4.247   0.799  -8.601
  351    HB3  LYS  50           HB1      LYS  50   3.498  -0.753  -8.965
  352    HG2  LYS  50           HG2      LYS  50   1.567   0.344  -9.900
  353    HG3  LYS  50           HG1      LYS  50   2.186   1.918  -9.414
  354    HD2  LYS  50           HD2      LYS  50   4.077   1.639 -10.949
  355    HD3  LYS  50           HD1      LYS  50   3.434   0.071 -11.445
  356    HE2  LYS  50           HE2      LYS  50   1.401   1.143 -12.236
  357    HE3  LYS  50           HE1      LYS  50   2.000   2.709 -11.708
  358    HZ1  LYS  50           HZ1      LYS  50   2.244   2.281 -14.112
  359    HZ2  LYS  50           HZ2      LYS  50   3.336   1.032 -13.759
  360    HZ3  LYS  50           HZ3      LYS  50   3.711   2.633 -13.342
  361    H    LEU  51           HN       LEU  51   2.141  -2.143  -6.733
  362    HA   LEU  51           HA       LEU  51  -0.485  -2.182  -7.913
  363    HG   LEU  51           HG       LEU  51   1.641  -3.627  -9.009
  364    HB2  LEU  51           HB2      LEU  51   1.217  -4.277  -6.603
  365    HB3  LEU  51           HB1      LEU  51  -0.450  -4.591  -7.059
  366   HD11  LEU  51          HD11      LEU  51   2.176  -5.857  -8.038
  367   HD12  LEU  51          HD12      LEU  51   1.876  -5.863  -9.777
  368   HD13  LEU  51          HD13      LEU  51   0.633  -6.435  -8.664
  369   HD21  LEU  51          HD21      LEU  51  -1.121  -4.778  -9.335
  370   HD22  LEU  51          HD22      LEU  51   0.002  -4.460 -10.659
  371   HD23  LEU  51          HD23      LEU  51  -0.614  -3.124  -9.685
  372    H    ILE  52           HN       ILE  52   0.844  -1.987  -4.643
  373    HA   ILE  52           HA       ILE  52  -1.625  -2.098  -3.289
  374    HB   ILE  52           HB       ILE  52   0.780  -0.356  -2.726
  375   HG12  ILE  52          HG12      ILE  52  -0.090  -2.986  -1.515
  376   HG13  ILE  52          HG11      ILE  52   1.239  -2.773  -2.652
  377   HG21  ILE  52          HG21      ILE  52  -1.156   0.606  -1.681
  378   HG22  ILE  52          HG22      ILE  52  -0.166  -0.176  -0.441
  379   HG23  ILE  52          HG23      ILE  52  -1.631  -0.964  -1.029
  380   HD11  ILE  52          HD11      ILE  52   1.040  -1.754   0.161
  381   HD12  ILE  52          HD12      ILE  52   2.297  -1.251  -0.971
  382   HD13  ILE  52          HD13      ILE  52   2.173  -2.944  -0.485
  383    H    TYR  53           HN       TYR  53   0.110   0.559  -4.838
  384    HA   TYR  53           HA       TYR  53  -1.773   2.581  -4.434
  385    HD1  TYR  53           HD2      TYR  53  -1.640   4.902  -4.984
  386    HD2  TYR  53           HD1      TYR  53  -0.030   3.307  -8.585
  387    HE1  TYR  53           HE2      TYR  53  -2.470   6.865  -6.207
  388    HE2  TYR  53           HE1      TYR  53  -0.860   5.271  -9.825
  389    HH   TYR  53           HH       TYR  53  -2.602   6.980  -9.596
  390    HB2  TYR  53           HB2      TYR  53   0.429   3.121  -5.213
  391    HB3  TYR  53           HB1      TYR  53   0.227   2.128  -6.652
  392    H    ASP  54           HN       ASP  54  -1.354   0.374  -7.179
  393    HA   ASP  54           HA       ASP  54  -3.582   1.067  -8.681
  394    HB2  ASP  54           HB2      ASP  54  -2.039  -0.444  -9.643
  395    HB3  ASP  54           HB1      ASP  54  -2.135  -1.546  -8.275
  396    H    PHE  55           HN       PHE  55  -3.318  -1.161  -5.962
  397    HA   PHE  55           HA       PHE  55  -5.925  -2.128  -5.852
  398    HD1  PHE  55           HD1      PHE  55  -6.278  -4.360  -3.969
  399    HD2  PHE  55           HD2      PHE  55  -5.189  -0.828  -1.835
  400    HE1  PHE  55           HE1      PHE  55  -7.860  -4.945  -2.183
  401    HE2  PHE  55           HE2      PHE  55  -6.776  -1.415  -0.050
  402    HZ   PHE  55           HZ       PHE  55  -8.050  -3.542  -0.190
  403    HB2  PHE  55           HB2      PHE  55  -4.211  -3.087  -4.473
  404    HB3  PHE  55           HB1      PHE  55  -3.903  -1.547  -3.683
  405    H    ILE  56           HN       ILE  56  -4.518   0.695  -4.240
  406    HA   ILE  56           HA       ILE  56  -6.884   1.520  -2.956
  407    HB   ILE  56           HB       ILE  56  -4.419   3.103  -3.697
  408   HG12  ILE  56          HG12      ILE  56  -5.225   1.737  -1.120
  409   HG13  ILE  56          HG11      ILE  56  -4.041   1.119  -2.266
  410   HG21  ILE  56          HG21      ILE  56  -6.590   3.760  -1.706
  411   HG22  ILE  56          HG22      ILE  56  -6.304   4.589  -3.238
  412   HG23  ILE  56          HG23      ILE  56  -5.099   4.672  -1.951
  413   HD11  ILE  56          HD11      ILE  56  -2.970   2.160  -0.370
  414   HD12  ILE  56          HD12      ILE  56  -3.816   3.672  -0.698
  415   HD13  ILE  56          HD13      ILE  56  -2.630   3.056  -1.849
  416    H    GLU  57           HN       GLU  57  -5.399   2.460  -6.031
  417    HA   GLU  57           HA       GLU  57  -7.271   4.455  -6.735
  418    HB2  GLU  57           HB2      GLU  57  -5.050   4.148  -7.824
  419    HB3  GLU  57           HB1      GLU  57  -5.650   2.675  -8.567
  420    HG2  GLU  57           HG2      GLU  57  -5.744   4.411 -10.187
  421    HG3  GLU  57           HG1      GLU  57  -7.393   4.020  -9.710
  422    H    ASP  58           HN       ASP  58  -7.154   0.981  -7.236
  423    HA   ASP  58           HA       ASP  58  -9.271   0.683  -9.035
  424    HB2  ASP  58           HB2      ASP  58  -7.669  -1.103  -8.512
  425    HB3  ASP  58           HB1      ASP  58  -8.340  -1.236  -6.893
  426    H    GLN  59           HN       GLN  59  -9.263   1.028  -5.547
  427    HA   GLN  59           HA       GLN  59 -12.015   0.242  -5.264
  428    HB2  GLN  59           HB2      GLN  59 -10.371   1.722  -3.216
  429    HB3  GLN  59           HB1      GLN  59 -11.774   0.705  -2.939
  430    HG2  GLN  59           HG2      GLN  59  -8.966  -0.080  -3.571
  431    HG3  GLN  59           HG1      GLN  59  -9.999  -0.601  -2.245
  432   HE21  GLN  59          HE21      GLN  59  -8.467  -2.180  -4.111
  433   HE22  GLN  59          HE22      GLN  59  -9.583  -3.231  -4.906
  434    H    GLY  60           HN       GLY  60 -10.503   3.045  -6.303
  435    HA2  GLY  60           HA2      GLY  60 -11.961   4.808  -7.143
  436    HA3  GLY  60           HA1      GLY  60 -12.927   4.610  -5.688
  437    H    GLY  61           HN       GLY  61  -9.536   4.465  -5.254
  438    HA2  GLY  61           HA2      GLY  61  -8.025   6.317  -5.012
  439    HA3  GLY  61           HA1      GLY  61  -9.409   7.345  -4.680
  440    H    LEU  62           HN       LEU  62  -7.549   7.729  -2.971
  441    HA   LEU  62           HA       LEU  62  -7.178   5.976  -0.830
  442    HG   LEU  62           HG       LEU  62  -4.842   6.885  -0.594
  443    HB2  LEU  62           HB2      LEU  62  -6.981   8.964  -1.064
  444    HB3  LEU  62           HB1      LEU  62  -6.686   8.154   0.460
  445   HD11  LEU  62          HD11      LEU  62  -5.659   6.910  -2.890
  446   HD12  LEU  62          HD12      LEU  62  -4.015   7.543  -2.786
  447   HD13  LEU  62          HD13      LEU  62  -5.378   8.648  -2.978
  448   HD21  LEU  62          HD21      LEU  62  -3.288   8.763  -0.748
  449   HD22  LEU  62          HD22      LEU  62  -4.399   8.964   0.607
  450   HD23  LEU  62          HD23      LEU  62  -4.646   9.882  -0.878
  451    H    GLU  63           HN       GLU  63  -9.625   8.406  -1.428
  452    HA   GLU  63           HA       GLU  63 -10.706   8.610   1.139
  453    HB2  GLU  63           HB2      GLU  63 -12.214   8.907  -1.462
  454    HB3  GLU  63           HB1      GLU  63 -12.618   9.636   0.086
  455    HG2  GLU  63           HG2      GLU  63 -10.211  10.260  -1.609
  456    HG3  GLU  63           HG1      GLU  63 -11.640  11.269  -1.407
  457    H    ALA  64           HN       ALA  64 -11.108   6.200  -1.331
  458    HA   ALA  64           HA       ALA  64 -13.531   5.086  -0.317
  459    HB1  ALA  64           HB1      ALA  64 -11.450   3.857  -2.124
  460    HB2  ALA  64           HB2      ALA  64 -12.865   4.772  -2.646
  461    HB3  ALA  64           HB3      ALA  64 -13.068   3.223  -1.828
  462    H    VAL  65           HN       VAL  65 -10.124   4.066  -0.183
  463    HA   VAL  65           HA       VAL  65 -10.464   1.823   1.442
  464    HB   VAL  65           HB       VAL  65  -8.091   3.661   1.112
  465   HG11  VAL  65          HG11      VAL  65  -8.227   1.006   2.543
  466   HG12  VAL  65          HG12      VAL  65  -7.878   2.573   3.274
  467   HG13  VAL  65          HG13      VAL  65  -6.743   1.860   2.128
  468   HG21  VAL  65          HG21      VAL  65  -8.553   0.864   0.076
  469   HG22  VAL  65          HG22      VAL  65  -7.253   1.980  -0.365
  470   HG23  VAL  65          HG23      VAL  65  -8.915   2.329  -0.848
  471    H    ARG  66           HN       ARG  66 -10.082   5.215   2.281
  472    HA   ARG  66           HA       ARG  66  -9.750   4.984   5.047
  473    HE   ARG  66           HE       ARG  66  -9.843   9.264   5.339
  474    HB2  ARG  66           HB2      ARG  66 -11.167   7.130   3.451
  475    HB3  ARG  66           HB1      ARG  66 -10.715   7.281   5.143
  476    HG2  ARG  66           HG2      ARG  66  -8.396   7.207   4.615
  477    HG3  ARG  66           HG1      ARG  66  -8.734   6.769   2.940
  478    HD2  ARG  66           HD2      ARG  66  -8.149   9.088   3.008
  479    HD3  ARG  66           HD1      ARG  66  -9.870   8.962   2.659
  480   HH11  ARG  66          HH11      ARG  66  -8.397  11.066   2.702
  481   HH12  ARG  66          HH12      ARG  66  -8.317  12.551   3.590
  482   HH21  ARG  66          HH21      ARG  66  -9.777  11.222   6.499
  483   HH22  ARG  66          HH22      ARG  66  -9.113  12.650   5.763
  484    H    GLN  67           HN       GLN  67 -12.559   4.624   3.031
  485    HA   GLN  67           HA       GLN  67 -14.348   4.576   5.328
  486    HB2  GLN  67           HB2      GLN  67 -14.919   4.342   2.376
  487    HB3  GLN  67           HB1      GLN  67 -16.141   4.339   3.642
  488    HG2  GLN  67           HG2      GLN  67 -15.383   6.587   4.323
  489    HG3  GLN  67           HG1      GLN  67 -14.258   6.583   2.967
  490   HE21  GLN  67          HE21      GLN  67 -17.580   6.797   3.937
  491   HE22  GLN  67          HE22      GLN  67 -18.206   7.326   2.412
  492    H    GLU  68           HN       GLU  68 -12.792   2.367   3.094
  493    HA   GLU  68           HA       GLU  68 -14.353   0.076   3.566
  494    HB2  GLU  68           HB2      GLU  68 -11.368   0.034   3.189
  495    HB3  GLU  68           HB1      GLU  68 -12.554  -1.157   2.665
  496    HG2  GLU  68           HG2      GLU  68 -12.559   1.632   1.612
  497    HG3  GLU  68           HG1      GLU  68 -11.537   0.387   0.932
  498    H    MET  69           HN       MET  69 -11.828   1.616   5.380
  499    HA   MET  69           HA       MET  69 -11.210  -0.237   7.329
  500    HB2  MET  69           HB2      MET  69 -11.523   2.749   7.438
  501    HB3  MET  69           HB1      MET  69 -11.102   1.837   8.879
  502    HG2  MET  69           HG2      MET  69  -9.528   1.795   6.317
  503    HG3  MET  69           HG1      MET  69  -9.167   2.823   7.702
  504    HE1  MET  69           HE1      MET  69  -6.860   1.268   6.729
  505    HE2  MET  69           HE2      MET  69  -6.266   0.325   8.095
  506    HE3  MET  69           HE3      MET  69  -6.761   1.999   8.334
  507    H    ARG  70           HN       ARG  70 -14.211   1.452   6.857
  508    HA   ARG  70           HA       ARG  70 -15.271   0.136   9.265
  509    HE   ARG  70           HE       ARG  70 -14.572   4.451   9.074
  510    HB2  ARG  70           HB2      ARG  70 -16.843   1.968   9.514
  511    HB3  ARG  70           HB1      ARG  70 -15.204   2.600   9.475
  512    HG2  ARG  70           HG2      ARG  70 -15.604   3.048   7.002
  513    HG3  ARG  70           HG1      ARG  70 -17.309   2.748   7.345
  514    HD2  ARG  70           HD2      ARG  70 -16.929   5.104   7.470
  515    HD3  ARG  70           HD1      ARG  70 -17.196   4.504   9.107
  516   HH11  ARG  70          HH11      ARG  70 -16.714   6.925   7.824
  517   HH12  ARG  70          HH12      ARG  70 -15.548   8.203   7.980
  518   HH21  ARG  70          HH21      ARG  70 -13.025   6.120   9.275
  519   HH22  ARG  70          HH22      ARG  70 -13.447   7.748   8.813
  520    H    ARG  71           HN       ARG  71 -15.019  -0.534   6.293
  521    HA   ARG  71           HA       ARG  71 -17.859  -1.168   5.830
  522    HE   ARG  71           HE       ARG  71 -18.707  -1.631   0.794
  523    HB2  ARG  71           HB2      ARG  71 -17.181   0.720   4.413
  524    HB3  ARG  71           HB1      ARG  71 -15.861  -0.234   3.764
  525    HG2  ARG  71           HG2      ARG  71 -18.567  -1.376   3.482
  526    HG3  ARG  71           HG1      ARG  71 -18.213   0.067   2.527
  527    HD2  ARG  71           HD2      ARG  71 -16.093  -1.127   1.797
  528    HD3  ARG  71           HD1      ARG  71 -16.789  -2.582   2.503
  529   HH11  ARG  71          HH11      ARG  71 -15.362  -2.644   0.554
  530   HH12  ARG  71          HH12      ARG  71 -15.494  -3.103  -1.118
  531   HH21  ARG  71          HH21      ARG  71 -18.882  -2.246  -1.423
  532   HH22  ARG  71          HH22      ARG  71 -17.480  -2.872  -2.243
  533    H    GLN  72           HN       GLN  72 -14.946  -1.877   3.987
  534    HA   GLN  72           HA       GLN  72 -14.343  -4.442   4.709
  535    HB2  GLN  72           HB2      GLN  72 -16.580  -5.198   4.207
  536    HB3  GLN  72           HB1      GLN  72 -16.571  -4.367   2.659
  537    HG2  GLN  72           HG2      GLN  72 -16.299  -6.735   2.329
  538    HG3  GLN  72           HG1      GLN  72 -14.831  -5.885   1.855
  539   HE21  GLN  72          HE21      GLN  72 -12.982  -6.065   3.148
  540   HE22  GLN  72          HE22      GLN  72 -12.789  -7.378   4.265
  541    H1   GLY  73           HT1      GLY  73  -2.866 -15.877   4.900
  542    H2   GLY  73           HT2      GLY  73  -4.103 -16.854   5.534
  543    H3   GLY  73           HT3      GLY  73  -2.479 -17.259   5.805
  544    HA2  GLY  73           HA1      GLY  73  -3.508 -16.273   7.767
  545    HA3  GLY  73           HA2      GLY  73  -2.147 -15.341   7.166
  546    H    HIS  74           HN       HIS  74  -5.445 -15.455   5.840
  547    HA   HIS  74           HA       HIS  74  -5.554 -12.556   5.930
  548    HD1  HIS  74           HD1      HIS  74  -6.305 -15.837   3.268
  549    HD2  HIS  74           HD2      HIS  74  -5.840 -11.714   2.885
  550    HE1  HIS  74           HE1      HIS  74  -5.060 -15.499   1.115
  551    HE2  HIS  74           HE2      HIS  74  -4.607 -13.027   1.011
  552    HB2  HIS  74           HB2      HIS  74  -7.616 -14.558   4.971
  553    HB3  HIS  74           HB1      HIS  74  -7.730 -12.813   4.780
  554    H    MET  75           HN       MET  75  -5.368 -12.737   8.350
  555    HA   MET  75           HA       MET  75  -7.767 -13.557   9.761
  556    HB2  MET  75           HB2      MET  75  -5.323 -12.172  10.876
  557    HB3  MET  75           HB1      MET  75  -6.545 -13.054  11.780
  558    HG2  MET  75           HG2      MET  75  -4.576 -14.219   9.829
  559    HG3  MET  75           HG1      MET  75  -4.523 -14.355  11.584
  560    HE1  MET  75           HE1      MET  75  -4.294 -16.850   9.655
  561    HE2  MET  75           HE2      MET  75  -5.355 -18.005  10.460
  562    HE3  MET  75           HE3      MET  75  -4.277 -16.982  11.412
  563    H    LEU  76           HN       LEU  76  -8.092 -11.415   7.894
  564    HA   LEU  76           HA       LEU  76  -8.642  -9.162   9.702
  565    HG   LEU  76           HG       LEU  76  -5.989  -7.408   7.799
  566    HB2  LEU  76           HB2      LEU  76  -7.582  -9.088   6.875
  567    HB3  LEU  76           HB1      LEU  76  -8.347  -7.706   7.630
  568   HD11  LEU  76          HD11      LEU  76  -7.254  -6.717   9.753
  569   HD12  LEU  76          HD12      LEU  76  -5.651  -7.292  10.213
  570   HD13  LEU  76          HD13      LEU  76  -7.061  -8.321  10.460
  571   HD21  LEU  76          HD21      LEU  76  -5.885 -10.142   9.052
  572   HD22  LEU  76          HD22      LEU  76  -4.529  -9.022   8.933
  573   HD23  LEU  76          HD23      LEU  76  -5.255  -9.688   7.470
  574    HA   PRO  77           HA       PRO  77 -12.689  -9.442   7.830
  575    HB2  PRO  77           HB2      PRO  77 -13.944  -7.841   9.536
  576    HB3  PRO  77           HB1      PRO  77 -13.310  -9.401  10.080
  577    HG2  PRO  77           HG2      PRO  77 -12.228  -6.661  10.511
  578    HG3  PRO  77           HG1      PRO  77 -12.196  -8.062  11.592
  579    HD2  PRO  77           HD2      PRO  77 -10.099  -7.180   9.895
  580    HD3  PRO  77           HD1      PRO  77 -10.180  -8.720  10.781
  581    H    ASP  78           HN       ASP  78 -10.486  -7.143   7.442
  582    HA   ASP  78           HA       ASP  78 -12.325  -5.093   6.419
  583    HB2  ASP  78           HB2      ASP  78  -9.583  -4.724   7.634
  584    HB3  ASP  78           HB1      ASP  78 -10.539  -3.438   6.917
  585    H    VAL  79           HN       VAL  79 -10.633  -3.508   5.134
  586    HA   VAL  79           HA       VAL  79 -10.163  -4.777   2.669
  587    HB   VAL  79           HB       VAL  79 -10.808  -2.433   2.852
  588   HG11  VAL  79          HG11      VAL  79  -9.289  -0.721   3.610
  589   HG12  VAL  79          HG12      VAL  79  -8.082  -1.946   4.001
  590   HG13  VAL  79          HG13      VAL  79  -9.601  -1.890   4.896
  591   HG21  VAL  79          HG21      VAL  79  -8.066  -2.307   1.660
  592   HG22  VAL  79          HG22      VAL  79  -9.574  -1.572   1.107
  593   HG23  VAL  79          HG23      VAL  79  -9.328  -3.309   0.933
  594    H    ALA  80           HN       ALA  80  -8.370  -4.898   5.460
  595    HA   ALA  80           HA       ALA  80  -5.717  -4.699   4.483
  596    HB1  ALA  80           HB1      ALA  80  -5.974  -4.397   6.775
  597    HB2  ALA  80           HB2      ALA  80  -5.181  -5.969   6.623
  598    HB3  ALA  80           HB3      ALA  80  -6.914  -5.885   6.964
  599    H    GLN  81           HN       GLN  81  -7.745  -7.573   5.206
  600    HA   GLN  81           HA       GLN  81  -5.858  -9.457   4.230
  601    HB2  GLN  81           HB2      GLN  81  -7.713 -11.051   4.236
  602    HB3  GLN  81           HB1      GLN  81  -7.722 -10.095   5.710
  603    HG2  GLN  81           HG2      GLN  81  -9.894  -9.837   5.292
  604    HG3  GLN  81           HG1      GLN  81  -9.370  -8.636   4.113
  605   HE21  GLN  81          HE21      GLN  81 -10.635 -11.801   4.617
  606   HE22  GLN  81          HE22      GLN  81 -11.038 -12.136   2.966
  607    H    ARG  82           HN       ARG  82  -8.092  -7.364   2.822
  608    HA   ARG  82           HA       ARG  82  -8.510  -8.637   0.316
  609    HE   ARG  82           HE       ARG  82 -11.525  -5.428  -2.362
  610    HB2  ARG  82           HB2      ARG  82 -10.036  -7.054   1.455
  611    HB3  ARG  82           HB1      ARG  82  -8.867  -5.776   1.196
  612    HG2  ARG  82           HG2      ARG  82  -9.193  -5.868  -1.153
  613    HG3  ARG  82           HG1      ARG  82 -10.226  -7.293  -1.008
  614    HD2  ARG  82           HD2      ARG  82 -11.881  -6.069   0.193
  615    HD3  ARG  82           HD1      ARG  82 -10.819  -4.675   0.347
  616   HH11  ARG  82          HH11      ARG  82 -12.227  -3.469   0.446
  617   HH12  ARG  82          HH12      ARG  82 -13.084  -2.244  -0.442
  618   HH21  ARG  82          HH21      ARG  82 -12.720  -3.850  -3.549
  619   HH22  ARG  82          HH22      ARG  82 -13.364  -2.465  -2.712
  620    H    LEU  83           HN       LEU  83  -5.952  -6.867   1.680
  621    HA   LEU  83           HA       LEU  83  -4.933  -5.877  -0.865
  622    HG   LEU  83           HG       LEU  83  -4.859  -3.566   0.087
  623    HB2  LEU  83           HB2      LEU  83  -4.533  -5.218   1.892
  624    HB3  LEU  83           HB1      LEU  83  -2.984  -5.646   1.187
  625   HD11  LEU  83          HD11      LEU  83  -2.275  -3.181   1.577
  626   HD12  LEU  83          HD12      LEU  83  -3.884  -2.908   2.246
  627   HD13  LEU  83          HD13      LEU  83  -3.306  -1.915   0.907
  628   HD21  LEU  83          HD21      LEU  83  -2.977  -2.949  -1.345
  629   HD22  LEU  83          HD22      LEU  83  -3.480  -4.615  -1.631
  630   HD23  LEU  83          HD23      LEU  83  -2.034  -4.283  -0.678
  631    H    MET  84           HN       MET  84  -4.272  -8.309   1.555
  632    HA   MET  84           HA       MET  84  -1.873  -9.362   0.645
  633    HB2  MET  84           HB2      MET  84  -4.224 -10.906   1.762
  634    HB3  MET  84           HB1      MET  84  -2.555 -11.450   1.717
  635    HG2  MET  84           HG2      MET  84  -1.898  -9.772   3.285
  636    HG3  MET  84           HG1      MET  84  -3.500  -9.036   3.234
  637    HE1  MET  84           HE1      MET  84  -3.507  -9.113   5.904
  638    HE2  MET  84           HE2      MET  84  -1.939  -9.924   5.926
  639    HE3  MET  84           HE3      MET  84  -3.290 -10.592   6.841
  640    H    GLN  85           HN       GLN  85  -5.177 -10.024  -0.387
  641    HA   GLN  85           HA       GLN  85  -4.563 -12.051  -2.254
  642    HB2  GLN  85           HB2      GLN  85  -6.911 -10.207  -1.883
  643    HB3  GLN  85           HB1      GLN  85  -6.837 -11.326  -3.237
  644    HG2  GLN  85           HG2      GLN  85  -6.516 -12.238  -0.399
  645    HG3  GLN  85           HG1      GLN  85  -8.097 -12.076  -1.165
  646   HE21  GLN  85          HE21      GLN  85  -5.061 -13.807  -1.191
  647   HE22  GLN  85          HE22      GLN  85  -5.616 -15.147  -2.133
  648    H    HIS  86           HN       HIS  86  -4.854  -8.534  -2.546
  649    HA   HIS  86           HA       HIS  86  -4.789  -8.563  -5.394
  650    HD1  HIS  86           HD1      HIS  86  -6.547  -6.812  -6.551
  651    HD2  HIS  86           HD2      HIS  86  -3.253  -4.467  -5.569
  652    HE1  HIS  86           HE1      HIS  86  -6.227  -5.250  -8.495
  653    HE2  HIS  86           HE2      HIS  86  -4.285  -3.776  -7.853
  654    HB2  HIS  86           HB2      HIS  86  -5.815  -6.758  -3.939
  655    HB3  HIS  86           HB1      HIS  86  -4.176  -6.177  -3.657
  656    H    LEU  87           HN       LEU  87  -2.304  -8.570  -2.970
  657    HA   LEU  87           HA       LEU  87  -0.253  -7.857  -4.899
  658    HG   LEU  87           HG       LEU  87   1.626  -6.555  -2.562
  659    HB2  LEU  87           HB2      LEU  87  -0.223  -8.618  -2.004
  660    HB3  LEU  87           HB1      LEU  87   1.257  -8.707  -2.938
  661   HD11  LEU  87          HD11      LEU  87   0.450  -6.110  -4.646
  662   HD12  LEU  87          HD12      LEU  87   0.203  -4.805  -3.483
  663   HD13  LEU  87          HD13      LEU  87  -1.076  -5.987  -3.765
  664   HD21  LEU  87          HD21      LEU  87   0.159  -5.256  -1.081
  665   HD22  LEU  87          HD22      LEU  87   0.490  -6.876  -0.460
  666   HD23  LEU  87          HD23      LEU  87  -1.066  -6.524  -1.213
  667    H    ALA  88           HN       ALA  88  -1.399 -10.733  -3.208
  668    HA   ALA  88           HA       ALA  88   0.536 -12.533  -4.132
  669    HB1  ALA  88           HB1      ALA  88  -1.033 -14.294  -3.525
  670    HB2  ALA  88           HB2      ALA  88  -2.341 -13.113  -3.430
  671    HB3  ALA  88           HB3      ALA  88  -0.995 -13.034  -2.292
  672    H    GLU  89           HN       GLU  89  -2.365 -11.314  -5.642
  673    HA   GLU  89           HA       GLU  89  -2.545 -13.287  -7.683
  674    HB2  GLU  89           HB2      GLU  89  -4.177 -11.787  -8.698
  675    HB3  GLU  89           HB1      GLU  89  -4.472 -11.993  -6.979
  676    HG2  GLU  89           HG2      GLU  89  -3.600  -9.855  -6.472
  677    HG3  GLU  89           HG1      GLU  89  -2.955  -9.662  -8.098
  678    H    HIS  90           HN       HIS  90  -0.272 -10.850  -7.282
  679    HA   HIS  90           HA       HIS  90   0.241 -10.853 -10.183
  680    HD1  HIS  90           HD1      HIS  90  -0.778  -9.072 -11.895
  681    HD2  HIS  90           HD2      HIS  90  -2.109  -7.573  -8.252
  682    HE1  HIS  90           HE1      HIS  90  -3.094  -8.190 -12.325
  683    HE2  HIS  90           HE2      HIS  90  -3.967  -7.600 -10.044
  684    HB2  HIS  90           HB2      HIS  90   0.427  -8.482  -8.330
  685    HB3  HIS  90           HB1      HIS  90   1.118  -8.505  -9.948
  686    H    GLY  91           HN       GLY  91   1.397 -12.125  -7.556
  687    HA2  GLY  91           HA2      GLY  91   3.436 -13.142  -7.211
  688    HA3  GLY  91           HA1      GLY  91   3.993 -12.414  -8.707
  689    H    ILE  92           HN       ILE  92   2.755 -10.439  -6.119
  690    HA   ILE  92           HA       ILE  92   5.060  -8.892  -5.747
  691    HB   ILE  92           HB       ILE  92   2.504  -9.354  -4.284
  692   HG12  ILE  92          HG12      ILE  92   2.478  -6.823  -4.514
  693   HG13  ILE  92          HG11      ILE  92   3.940  -7.007  -5.474
  694   HG21  ILE  92          HG21      ILE  92   3.086  -7.866  -2.453
  695   HG22  ILE  92          HG22      ILE  92   4.754  -7.808  -3.022
  696   HG23  ILE  92          HG23      ILE  92   4.077  -9.325  -2.433
  697   HD11  ILE  92          HD11      ILE  92   1.954  -6.805  -6.858
  698   HD12  ILE  92          HD12      ILE  92   1.287  -8.251  -6.103
  699   HD13  ILE  92          HD13      ILE  92   2.752  -8.363  -7.079
  700    H    GLN  93           HN       GLN  93   6.568  -8.853  -4.014
  701    HA   GLN  93           HA       GLN  93   7.211 -11.480  -2.907
  702    HB2  GLN  93           HB2      GLN  93   8.661  -8.863  -3.110
  703    HB3  GLN  93           HB1      GLN  93   9.178 -10.040  -1.914
  704    HG2  GLN  93           HG2      GLN  93  10.463 -10.142  -4.006
  705    HG3  GLN  93           HG1      GLN  93   9.646 -11.655  -3.618
  706   HE21  GLN  93          HE21      GLN  93   7.982 -12.373  -4.913
  707   HE22  GLN  93          HE22      GLN  93   7.627 -11.675  -6.461
  708    HA   PRO  94           HA       PRO  94   4.867 -10.020   0.655
  709    HB2  PRO  94           HB2      PRO  94   4.397 -12.446   1.742
  710    HB3  PRO  94           HB1      PRO  94   3.490 -11.841   0.350
  711    HG2  PRO  94           HG2      PRO  94   5.745 -13.794   0.443
  712    HG3  PRO  94           HG1      PRO  94   4.291 -13.806  -0.570
  713    HD2  PRO  94           HD2      PRO  94   6.771 -12.972  -1.421
  714    HD3  PRO  94           HD1      PRO  94   5.238 -12.452  -2.143
  715    H    ALA  95           HN       ALA  95   6.114  -9.050   2.108
  716    HA   ALA  95           HA       ALA  95   8.451 -10.316   3.222
  717    HB1  ALA  95           HB1      ALA  95   7.215  -7.647   3.886
  718    HB2  ALA  95           HB2      ALA  95   8.453  -7.930   2.663
  719    HB3  ALA  95           HB3      ALA  95   8.818  -8.204   4.366
  720    H    ARG  96           HN       ARG  96   5.848 -11.506   3.810
  721    HA   ARG  96           HA       ARG  96   5.583 -11.126   6.679
  722    HE   ARG  96           HE       ARG  96   2.668 -12.545   8.049
  723    HB2  ARG  96           HB2      ARG  96   4.023 -12.595   4.600
  724    HB3  ARG  96           HB1      ARG  96   3.884 -13.102   6.279
  725    HG2  ARG  96           HG2      ARG  96   3.293 -10.355   5.189
  726    HG3  ARG  96           HG1      ARG  96   2.111 -11.560   5.706
  727    HD2  ARG  96           HD2      ARG  96   4.116 -10.092   7.409
  728    HD3  ARG  96           HD1      ARG  96   2.358  -9.986   7.485
  729   HH11  ARG  96          HH11      ARG  96   4.503  -9.793   9.200
  730   HH12  ARG  96          HH12      ARG  96   4.967 -10.550  10.692
  731   HH21  ARG  96          HH21      ARG  96   3.277 -13.558  10.008
  732   HH22  ARG  96          HH22      ARG  96   4.241 -12.689  11.166
  733    H    ASN  97           HN       ASN  97   7.787 -12.615   4.917
  734    HA   ASN  97           HA       ASN  97   8.510 -14.336   7.078
  735    HB2  ASN  97           HB2      ASN  97   7.023 -15.817   5.807
  736    HB3  ASN  97           HB1      ASN  97   8.069 -15.589   4.424
  737   HD21  ASN  97          HD21      ASN  97   9.208 -15.885   7.712
  738   HD22  ASN  97          HD22      ASN  97   9.994 -17.416   7.508
  739    H    MET  98           HN       MET  98   9.401 -14.513   3.652
  740    HA   MET  98           HA       MET  98  11.822 -13.003   4.104
  741    HB2  MET  98           HB2      MET  98  12.442 -15.243   4.958
  742    HB3  MET  98           HB1      MET  98  12.012 -15.942   3.403
  743    HG2  MET  98           HG2      MET  98  14.422 -15.656   3.648
  744    HG3  MET  98           HG1      MET  98  13.777 -14.695   2.316
  745    HE1  MET  98           HE1      MET  98  16.656 -14.219   3.478
  746    HE2  MET  98           HE2      MET  98  16.708 -12.463   3.625
  747    HE3  MET  98           HE3      MET  98  15.969 -13.210   2.206
  748    H    ALA  99           HN       ALA  99  10.670 -11.780   2.502
  749    HA   ALA  99           HA       ALA  99  11.564 -12.427  -0.147
  750    HB1  ALA  99           HB1      ALA  99   9.371 -12.295  -1.220
  751    HB2  ALA  99           HB2      ALA  99   8.599 -12.189   0.363
  752    HB3  ALA  99           HB3      ALA  99   9.450 -13.661  -0.105
  753    H    GLU 100           HN       GLU 100  12.584 -10.563  -0.480
  754    HA   GLU 100           HA       GLU 100  11.034  -8.086  -0.257
  755    HB2  GLU 100           HB2      GLU 100  13.853  -8.487   0.753
  756    HB3  GLU 100           HB1      GLU 100  13.070  -6.922   0.591
  757    HG2  GLU 100           HG2      GLU 100  11.314  -7.746   2.174
  758    HG3  GLU 100           HG1      GLU 100  12.327  -9.166   2.443
  759    H    HIS 101           HN       HIS 101  13.445  -6.527  -0.951
  760    HA   HIS 101           HA       HIS 101  13.091  -6.693  -3.786
  761    HD1  HIS 101           HD1      HIS 101  11.490  -4.897  -2.845
  762    HD2  HIS 101           HD2      HIS 101  14.651  -2.975  -0.928
  763    HE1  HIS 101           HE1      HIS 101  10.433  -3.278  -1.235
  764    HE2  HIS 101           HE2      HIS 101  12.360  -1.992  -0.239
  765    HB2  HIS 101           HB2      HIS 101  15.276  -5.096  -2.483
  766    HB3  HIS 101           HB1      HIS 101  14.377  -4.734  -3.949
  767    H    ILE 102           HN       ILE 102  15.469  -7.691  -1.495
  768    HA   ILE 102           HA       ILE 102  17.361  -8.517  -3.546
  769    HB   ILE 102           HB       ILE 102  17.509  -8.814  -0.540
  770   HG12  ILE 102          HG12      ILE 102  17.496  -6.472  -1.147
  771   HG13  ILE 102          HG11      ILE 102  19.128  -6.933  -0.680
  772   HG21  ILE 102          HG21      ILE 102  18.888 -10.458  -1.656
  773   HG22  ILE 102          HG22      ILE 102  19.908  -9.218  -0.925
  774   HG23  ILE 102          HG23      ILE 102  19.613  -9.205  -2.663
  775   HD11  ILE 102          HD11      ILE 102  19.775  -7.059  -3.025
  776   HD12  ILE 102          HD12      ILE 102  19.126  -5.468  -2.624
  777   HD13  ILE 102          HD13      ILE 102  18.133  -6.630  -3.506
  778    HA   PRO 103           HA       PRO 103  15.338 -12.536  -3.545
  779    HB2  PRO 103           HB2      PRO 103  17.323 -13.211  -5.585
  780    HB3  PRO 103           HB1      PRO 103  15.565 -13.108  -5.730
  781    HG2  PRO 103           HG2      PRO 103  17.226 -11.321  -6.894
  782    HG3  PRO 103           HG1      PRO 103  15.611 -10.883  -6.307
  783    HD2  PRO 103           HD2      PRO 103  18.283 -10.435  -5.022
  784    HD3  PRO 103           HD1      PRO 103  16.887  -9.340  -5.131
  785    HA   PRO 104           HA       PRO 104  18.296 -14.372  -0.726
  786    HB2  PRO 104           HB2      PRO 104  16.436 -16.672  -0.955
  787    HB3  PRO 104           HB1      PRO 104  16.991 -15.814   0.487
  788    HG2  PRO 104           HG2      PRO 104  14.509 -15.485  -0.427
  789    HG3  PRO 104           HG1      PRO 104  15.425 -14.121   0.245
  790    HD2  PRO 104           HD2      PRO 104  14.884 -14.821  -2.616
  791    HD3  PRO 104           HD1      PRO 104  14.889 -13.229  -1.825
  792    H    ALA 105           HN       ALA 105  20.140 -15.042  -1.584
  793    HA   ALA 105           HA       ALA 105  20.258 -16.584  -3.996
  794    HB1  ALA 105           HB1      ALA 105  22.477 -15.798  -2.109
  795    HB2  ALA 105           HB2      ALA 105  21.898 -14.833  -3.467
  796    HB3  ALA 105           HB3      ALA 105  22.666 -16.393  -3.759
  797    HA   PRO 106           HA       PRO 106  20.160 -20.590  -2.005
  798    HB2  PRO 106           HB2      PRO 106  21.024 -21.556  -4.646
  799    HB3  PRO 106           HB1      PRO 106  19.548 -21.918  -3.750
  800    HG2  PRO 106           HG2      PRO 106  19.528 -20.388  -5.962
  801    HG3  PRO 106           HG1      PRO 106  18.419 -20.099  -4.610
  802    HD2  PRO 106           HD2      PRO 106  20.942 -18.661  -5.338
  803    HD3  PRO 106           HD1      PRO 106  19.399 -18.004  -4.751
  804    H    ASN 107           HN       ASN 107  22.714 -19.636  -4.242
  805    HA   ASN 107           HA       ASN 107  24.819 -19.661  -2.484
  806    HB2  ASN 107           HB2      ASN 107  24.428 -22.144  -2.349
  807    HB3  ASN 107           HB1      ASN 107  24.824 -22.247  -4.062
  808   HD21  ASN 107          HD21      ASN 107  26.548 -23.662  -3.452
  809   HD22  ASN 107          HD22      ASN 107  28.032 -23.013  -2.832
  810    H    TRP 108           HN       TRP 108  24.212 -20.954  -5.747
  811    HA   TRP 108           HA       TRP 108  26.041 -18.897  -6.802
  812    HD1  TRP 108           HD1      TRP 108  26.587 -23.461  -6.815
  813    HE1  TRP 108           HE1      TRP 108  28.850 -23.716  -5.609
  814    HE3  TRP 108           HE3      TRP 108  28.275 -18.656  -7.249
  815    HZ2  TRP 108           HZ2      TRP 108  31.054 -22.089  -4.937
  816    HZ3  TRP 108           HZ3      TRP 108  30.468 -18.088  -6.295
  817    HH2  TRP 108           HH2      TRP 108  31.828 -19.770  -5.162
  818    HB2  TRP 108           HB2      TRP 108  25.344 -21.590  -8.008
  819    HB3  TRP 108           HB1      TRP 108  26.421 -20.394  -8.724
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1 -18.378  25.486  -6.716
    2    H2   GLY   1           HT2      GLY   1 -19.158  24.465  -7.822
    3    H3   GLY   1           HT3      GLY   1 -18.900  26.097  -8.210
    4    HA2  GLY   1           HA1      GLY   1 -17.318  24.765  -9.389
    5    HA3  GLY   1           HA2      GLY   1 -16.502  25.738  -8.175
    6    H    HIS   2           HN       HIS   2 -14.865  24.007  -8.654
    7    HA   HIS   2           HA       HIS   2 -13.598  22.301  -7.871
    8    HD1  HIS   2           HD1      HIS   2 -11.988  21.409  -5.586
    9    HD2  HIS   2           HD2      HIS   2 -15.628  19.486  -4.964
   10    HE1  HIS   2           HE1      HIS   2 -11.417  19.165  -4.602
   11    HE2  HIS   2           HE2      HIS   2 -13.619  17.955  -4.394
   12    HB2  HIS   2           HB2      HIS   2 -14.176  22.965  -5.610
   13    HB3  HIS   2           HB1      HIS   2 -15.711  22.112  -5.713
   14    H    MET   3           HN       MET   3 -13.698  20.935  -9.528
   15    HA   MET   3           HA       MET   3 -15.952  19.128  -9.845
   16    HB2  MET   3           HB2      MET   3 -13.367  19.348 -11.404
   17    HB3  MET   3           HB1      MET   3 -14.734  18.332 -11.838
   18    HG2  MET   3           HG2      MET   3 -16.124  20.334 -12.095
   19    HG3  MET   3           HG1      MET   3 -14.731  21.339 -11.698
   20    HE1  MET   3           HE1      MET   3 -15.041  18.701 -15.470
   21    HE2  MET   3           HE2      MET   3 -16.340  18.888 -14.291
   22    HE3  MET   3           HE3      MET   3 -14.858  18.039 -13.846
   23    H    SER   4           HN       SER   4 -14.361  16.904 -10.847
   24    HA   SER   4           HA       SER   4 -13.881  15.597  -8.331
   25    HG   SER   4           HG       SER   4 -15.451  14.561 -11.327
   26    HB2  SER   4           HB2      SER   4 -13.371  14.527 -11.115
   27    HB3  SER   4           HB1      SER   4 -13.578  13.589  -9.635
   28    H    GLY   5           HN       GLY   5 -11.939  16.658 -11.082
   29    HA2  GLY   5           HA2      GLY   5  -9.719  17.355 -11.055
   30    HA3  GLY   5           HA1      GLY   5  -9.606  16.850  -9.374
   31    H    PHE   6           HN       PHE   6  -7.733  15.694  -9.531
   32    HA   PHE   6           HA       PHE   6  -7.737  13.403 -11.371
   33    HD1  PHE   6           HD1      PHE   6  -6.294  12.780 -12.939
   34    HD2  PHE   6           HD2      PHE   6  -3.603  13.063  -9.656
   35    HE1  PHE   6           HE1      PHE   6  -4.934  10.969 -13.901
   36    HE2  PHE   6           HE2      PHE   6  -2.240  11.253 -10.612
   37    HZ   PHE   6           HZ       PHE   6  -2.904  10.202 -12.738
   38    HB2  PHE   6           HB2      PHE   6  -5.780  15.010 -11.316
   39    HB3  PHE   6           HB1      PHE   6  -5.440  14.424  -9.693
   40    H    LYS   7           HN       LYS   7  -8.496  14.219  -8.255
   41    HA   LYS   7           HA       LYS   7  -9.075  13.071  -6.396
   42    HB2  LYS   7           HB2      LYS   7 -10.183  11.534  -7.960
   43    HB3  LYS   7           HB1      LYS   7  -8.691  10.622  -8.129
   44    HG2  LYS   7           HG2      LYS   7  -8.809   9.848  -5.889
   45    HG3  LYS   7           HG1      LYS   7 -10.117  10.967  -5.505
   46    HD2  LYS   7           HD2      LYS   7 -10.953   8.687  -5.824
   47    HD3  LYS   7           HD1      LYS   7 -11.598   9.787  -7.041
   48    HE2  LYS   7           HE2      LYS   7  -9.929   8.983  -8.645
   49    HE3  LYS   7           HE1      LYS   7  -9.290   7.882  -7.425
   50    HZ1  LYS   7           HZ1      LYS   7 -11.469   6.796  -7.360
   51    HZ2  LYS   7           HZ2      LYS   7 -10.768   6.712  -8.899
   52    HZ3  LYS   7           HZ3      LYS   7 -12.023   7.814  -8.596
   53    H    HIS   8           HN       HIS   8  -6.726  10.754  -7.729
   54    HA   HIS   8           HA       HIS   8  -5.168  10.941  -5.275
   55    HD1  HIS   8           HD1      HIS   8  -6.781   8.981  -8.621
   56    HD2  HIS   8           HD2      HIS   8  -2.641   8.718  -8.596
   57    HE1  HIS   8           HE1      HIS   8  -6.118   8.558 -10.986
   58    HE2  HIS   8           HE2      HIS   8  -3.648   8.111 -10.903
   59    HB2  HIS   8           HB2      HIS   8  -3.876   9.052  -6.189
   60    HB3  HIS   8           HB1      HIS   8  -5.601   8.704  -6.201
   61    H    VAL   9           HN       VAL   9  -5.054  13.306  -6.331
   62    HA   VAL   9           HA       VAL   9  -3.224  13.602  -8.536
   63    HB   VAL   9           HB       VAL   9  -5.107  15.135  -8.354
   64   HG11  VAL   9          HG11      VAL   9  -3.853  16.088  -5.785
   65   HG12  VAL   9          HG12      VAL   9  -5.355  15.176  -5.933
   66   HG13  VAL   9          HG13      VAL   9  -5.247  16.811  -6.584
   67   HG21  VAL   9          HG21      VAL   9  -3.919  17.276  -8.588
   68   HG22  VAL   9          HG22      VAL   9  -3.125  15.969  -9.466
   69   HG23  VAL   9          HG23      VAL   9  -2.465  16.524  -7.928
   70    H    SER  10           HN       SER  10  -3.195  13.915  -5.100
   71    HA   SER  10           HA       SER  10  -0.667  15.012  -4.662
   72    HG   SER  10           HG       SER  10  -2.131  15.768  -2.908
   73    HB2  SER  10           HB2      SER  10  -2.218  12.927  -3.114
   74    HB3  SER  10           HB1      SER  10  -0.855  13.850  -2.471
   75    H    HIS  11           HN       HIS  11  -1.574  12.055  -6.066
   76    HA   HIS  11           HA       HIS  11  -0.716   9.973  -6.277
   77    HD1  HIS  11           HD1      HIS  11   2.676  12.656  -7.813
   78    HD2  HIS  11           HD2      HIS  11  -0.174   9.780  -8.776
   79    HE1  HIS  11           HE1      HIS  11   2.232  12.931 -10.276
   80    HE2  HIS  11           HE2      HIS  11   0.671  11.040 -10.872
   81    HB2  HIS  11           HB2      HIS  11   1.903  11.422  -5.828
   82    HB3  HIS  11           HB1      HIS  11   1.782   9.728  -6.286
   83    H    VAL  12           HN       VAL  12  -1.508  11.177  -3.738
   84    HA   VAL  12           HA       VAL  12  -1.304  11.189  -1.502
   85    HB   VAL  12           HB       VAL  12  -2.542   9.177  -1.713
   86   HG11  VAL  12          HG11      VAL  12  -0.046   7.517  -1.731
   87   HG12  VAL  12          HG12      VAL  12  -0.889   7.991  -3.205
   88   HG13  VAL  12          HG13      VAL  12  -1.715   7.004  -1.996
   89   HG21  VAL  12          HG21      VAL  12  -0.367   8.824   0.336
   90   HG22  VAL  12          HG22      VAL  12  -1.948   8.042   0.360
   91   HG23  VAL  12          HG23      VAL  12  -1.828   9.797   0.519
   92    H    GLY  13           HN       GLY  13   1.265   8.846  -2.356
   93    HA2  GLY  13           HA2      GLY  13   3.368  10.443  -1.406
   94    HA3  GLY  13           HA1      GLY  13   2.864   9.353  -0.115
   95    H    TRP  14           HN       TRP  14   2.724   8.691  -3.545
   96    HA   TRP  14           HA       TRP  14   4.561   6.429  -3.111
   97    HD1  TRP  14           HD1      TRP  14   3.866   3.459  -3.671
   98    HE1  TRP  14           HE1      TRP  14   4.458   2.033  -5.730
   99    HE3  TRP  14           HE3      TRP  14   2.544   6.747  -7.356
  100    HZ2  TRP  14           HZ2      TRP  14   4.380   2.264  -8.535
  101    HZ3  TRP  14           HZ3      TRP  14   2.835   6.065  -9.703
  102    HH2  TRP  14           HH2      TRP  14   3.734   3.870 -10.278
  103    HB2  TRP  14           HB2      TRP  14   2.291   5.654  -3.452
  104    HB3  TRP  14           HB1      TRP  14   2.116   6.656  -4.886
  105    H    ASP  15           HN       ASP  15   6.288   6.288  -4.365
  106    HA   ASP  15           HA       ASP  15   6.302   7.740  -6.926
  107    HB2  ASP  15           HB2      ASP  15   8.542   7.360  -4.944
  108    HB3  ASP  15           HB1      ASP  15   8.848   7.765  -6.627
  109    HA   PRO  16           HA       PRO  16   6.334   4.089  -9.064
  110    HB2  PRO  16           HB2      PRO  16   8.385   4.464 -10.907
  111    HB3  PRO  16           HB1      PRO  16   6.721   5.035 -11.063
  112    HG2  PRO  16           HG2      PRO  16   9.150   6.501 -10.120
  113    HG3  PRO  16           HG1      PRO  16   7.820   7.078 -11.141
  114    HD2  PRO  16           HD2      PRO  16   7.972   7.756  -8.568
  115    HD3  PRO  16           HD1      PRO  16   6.403   7.378  -9.313
  116    H    GLN  17           HN       GLN  17   9.665   4.900  -8.044
  117    HA   GLN  17           HA       GLN  17  10.381   2.083  -8.430
  118    HB2  GLN  17           HB2      GLN  17  11.871   3.634  -9.474
  119    HB3  GLN  17           HB1      GLN  17  12.097   4.506  -7.964
  120    HG2  GLN  17           HG2      GLN  17  14.016   3.139  -8.380
  121    HG3  GLN  17           HG1      GLN  17  13.131   2.499  -6.999
  122   HE21  GLN  17          HE21      GLN  17  12.052   0.539  -7.182
  123   HE22  GLN  17          HE22      GLN  17  12.388  -0.573  -8.469
  124    H    ASN  18           HN       ASN  18  10.393   4.573  -5.879
  125    HA   ASN  18           HA       ASN  18  11.422   2.573  -4.010
  126    HB2  ASN  18           HB2      ASN  18  11.730   4.402  -2.435
  127    HB3  ASN  18           HB1      ASN  18  12.449   4.809  -3.988
  128   HD21  ASN  18          HD21      ASN  18   9.868   5.471  -1.762
  129   HD22  ASN  18          HD22      ASN  18   9.360   6.962  -2.485
  130    H    GLY  19           HN       GLY  19   8.443   3.449  -5.077
  131    HA2  GLY  19           HA2      GLY  19   6.406   2.656  -4.362
  132    HA3  GLY  19           HA1      GLY  19   7.209   1.979  -2.954
  133    H    PHE  20           HN       PHE  20   6.030   2.653  -1.302
  134    HA   PHE  20           HA       PHE  20   4.907   5.330  -1.244
  135    HD1  PHE  20           HD2      PHE  20   2.191   5.527  -0.244
  136    HD2  PHE  20           HD1      PHE  20   3.530   1.550  -0.976
  137    HE1  PHE  20           HE2      PHE  20   0.091   5.047  -1.433
  138    HE2  PHE  20           HE1      PHE  20   1.433   1.059  -2.160
  139    HZ   PHE  20           HZ       PHE  20  -0.289   2.807  -2.396
  140    HB2  PHE  20           HB2      PHE  20   4.673   2.938   0.575
  141    HB3  PHE  20           HB1      PHE  20   4.045   4.515   1.038
  142    H    ASP  21           HN       ASP  21   5.647   6.982  -0.087
  143    HA   ASP  21           HA       ASP  21   8.192   6.833   1.212
  144    HB2  ASP  21           HB2      ASP  21   7.300   8.877   0.035
  145    HB3  ASP  21           HB1      ASP  21   6.155   9.070   1.359
  146    H    VAL  22           HN       VAL  22   8.177   5.516   2.951
  147    HA   VAL  22           HA       VAL  22   6.028   5.102   4.689
  148    HB   VAL  22           HB       VAL  22   7.823   3.484   4.442
  149   HG11  VAL  22          HG11      VAL  22  10.012   3.812   5.502
  150   HG12  VAL  22          HG12      VAL  22   9.574   5.485   5.852
  151   HG13  VAL  22          HG13      VAL  22   9.722   4.942   4.179
  152   HG21  VAL  22          HG21      VAL  22   8.181   2.900   6.803
  153   HG22  VAL  22          HG22      VAL  22   6.510   3.352   6.466
  154   HG23  VAL  22          HG23      VAL  22   7.586   4.495   7.272
  155    H    ASN  23           HN       ASN  23   8.444   7.570   4.670
  156    HA   ASN  23           HA       ASN  23   8.198   8.400   7.378
  157    HB2  ASN  23           HB2      ASN  23  10.138   9.025   6.044
  158    HB3  ASN  23           HB1      ASN  23   9.113   9.892   4.907
  159   HD21  ASN  23          HD21      ASN  23   8.307  11.903   5.463
  160   HD22  ASN  23          HD22      ASN  23   8.914  12.807   6.811
  161    H    ASN  24           HN       ASN  24   6.606   9.297   4.369
  162    HA   ASN  24           HA       ASN  24   4.941  11.263   5.769
  163    HB2  ASN  24           HB2      ASN  24   5.481  10.723   2.852
  164    HB3  ASN  24           HB1      ASN  24   4.178  11.784   3.379
  165   HD21  ASN  24          HD21      ASN  24   7.644  11.308   3.313
  166   HD22  ASN  24          HD22      ASN  24   8.055  12.979   3.575
  167    H    LEU  25           HN       LEU  25   4.652   8.196   5.766
  168    HA   LEU  25           HA       LEU  25   2.271   7.587   4.374
  169    HG   LEU  25           HG       LEU  25   4.510   5.814   4.346
  170    HB2  LEU  25           HB2      LEU  25   3.730   6.302   6.645
  171    HB3  LEU  25           HB1      LEU  25   2.134   5.734   6.206
  172   HD11  LEU  25          HD11      LEU  25   3.222   3.510   5.804
  173   HD12  LEU  25          HD12      LEU  25   4.814   4.193   6.138
  174   HD13  LEU  25          HD13      LEU  25   4.507   3.381   4.602
  175   HD21  LEU  25          HD21      LEU  25   2.300   6.023   3.249
  176   HD22  LEU  25          HD22      LEU  25   1.811   4.507   4.011
  177   HD23  LEU  25          HD23      LEU  25   3.136   4.524   2.846
  178    H    ASP  26           HN       ASP  26   0.251   8.052   4.781
  179    HA   ASP  26           HA       ASP  26  -0.643   9.508   7.036
  180    HB2  ASP  26           HB2      ASP  26  -1.757   9.486   4.793
  181    HB3  ASP  26           HB1      ASP  26  -2.270   7.830   5.102
  182    HA   PRO  27           HA       PRO  27  -0.885   6.465  10.235
  183    HB2  PRO  27           HB2      PRO  27  -3.454   7.877  10.804
  184    HB3  PRO  27           HB1      PRO  27  -2.137   7.449  11.903
  185    HG2  PRO  27           HG2      PRO  27  -2.405   9.946  11.038
  186    HG3  PRO  27           HG1      PRO  27  -0.799   9.209  11.196
  187    HD2  PRO  27           HD2      PRO  27  -2.400   9.762   8.744
  188    HD3  PRO  27           HD1      PRO  27  -0.642   9.795   8.978
  189    H    ASP  28           HN       ASP  28  -3.711   7.057   8.164
  190    HA   ASP  28           HA       ASP  28  -5.015   4.618   8.978
  191    HB2  ASP  28           HB2      ASP  28  -5.563   6.664   6.835
  192    HB3  ASP  28           HB1      ASP  28  -6.436   5.136   6.860
  193    H    LEU  29           HN       LEU  29  -3.089   5.661   6.175
  194    HA   LEU  29           HA       LEU  29  -3.202   3.205   4.784
  195    HG   LEU  29           HG       LEU  29  -3.142   6.200   3.949
  196    HB2  LEU  29           HB2      LEU  29  -1.026   5.294   4.831
  197    HB3  LEU  29           HB1      LEU  29  -1.121   3.975   3.682
  198   HD11  LEU  29          HD11      LEU  29  -2.227   6.886   1.756
  199   HD12  LEU  29          HD12      LEU  29  -0.953   5.677   1.947
  200   HD13  LEU  29          HD13      LEU  29  -1.072   7.027   3.080
  201   HD21  LEU  29          HD21      LEU  29  -2.910   3.956   1.947
  202   HD22  LEU  29          HD22      LEU  29  -4.052   5.297   1.859
  203   HD23  LEU  29          HD23      LEU  29  -4.161   4.129   3.176
  204    H    ARG  30           HN       ARG  30  -0.912   4.516   7.128
  205    HA   ARG  30           HA       ARG  30   0.929   2.442   7.254
  206    HE   ARG  30           HE       ARG  30   4.511   3.356  10.256
  207    HB2  ARG  30           HB2      ARG  30   1.205   4.621   8.363
  208    HB3  ARG  30           HB1      ARG  30  -0.072   4.207   9.497
  209    HG2  ARG  30           HG2      ARG  30   2.114   3.943  10.509
  210    HG3  ARG  30           HG1      ARG  30   1.292   2.389  10.378
  211    HD2  ARG  30           HD2      ARG  30   2.687   1.644   8.690
  212    HD3  ARG  30           HD1      ARG  30   3.170   3.277   8.231
  213   HH11  ARG  30          HH11      ARG  30   3.390   0.175   9.274
  214   HH12  ARG  30          HH12      ARG  30   4.691  -0.665  10.062
  215   HH21  ARG  30          HH21      ARG  30   6.186   2.255  11.322
  216   HH22  ARG  30          HH22      ARG  30   6.289   0.520  11.224
  217    H    SER  31           HN       SER  31  -2.126   2.850   8.977
  218    HA   SER  31           HA       SER  31  -2.017   0.531  10.546
  219    HG   SER  31           HG       SER  31  -3.889   0.437  11.854
  220    HB2  SER  31           HB2      SER  31  -3.675   2.496  10.694
  221    HB3  SER  31           HB1      SER  31  -4.549   1.702   9.390
  222    H    LEU  32           HN       LEU  32  -3.550   1.110   7.382
  223    HA   LEU  32           HA       LEU  32  -4.682  -1.409   7.039
  224    HG   LEU  32           HG       LEU  32  -3.712  -1.474   3.858
  225    HB2  LEU  32           HB2      LEU  32  -5.390   0.329   5.600
  226    HB3  LEU  32           HB1      LEU  32  -3.759   0.644   5.049
  227   HD11  LEU  32          HD11      LEU  32  -6.544  -1.846   4.798
  228   HD12  LEU  32          HD12      LEU  32  -5.143  -2.739   5.384
  229   HD13  LEU  32          HD13      LEU  32  -5.650  -2.897   3.703
  230   HD21  LEU  32          HD21      LEU  32  -5.602  -1.046   2.254
  231   HD22  LEU  32          HD22      LEU  32  -4.480   0.291   2.522
  232   HD23  LEU  32          HD23      LEU  32  -6.064   0.297   3.300
  233    H    PHE  33           HN       PHE  33  -1.642  -0.182   5.728
  234    HA   PHE  33           HA       PHE  33  -1.144  -2.414   4.129
  235    HD1  PHE  33           HD2      PHE  33  -1.871  -1.029   2.872
  236    HD2  PHE  33           HD1      PHE  33   1.475   1.446   3.861
  237    HE1  PHE  33           HE2      PHE  33  -2.650   0.679   1.294
  238    HE2  PHE  33           HE1      PHE  33   0.678   3.148   2.287
  239    HZ   PHE  33           HZ       PHE  33  -1.377   2.759   0.992
  240    HB2  PHE  33           HB2      PHE  33   0.842  -0.444   5.276
  241    HB3  PHE  33           HB1      PHE  33   1.144  -1.536   3.929
  242    H    SER  34           HN       SER  34  -0.070  -1.641   7.400
  243    HA   SER  34           HA       SER  34   1.548  -3.934   7.739
  244    HG   SER  34           HG       SER  34   2.520  -2.013   8.253
  245    HB2  SER  34           HB2      SER  34   0.195  -2.157   9.761
  246    HB3  SER  34           HB1      SER  34   1.447  -3.353  10.123
  247    H    ARG  35           HN       ARG  35  -1.887  -3.344   8.180
  248    HA   ARG  35           HA       ARG  35  -2.477  -5.812   9.479
  249    HE   ARG  35           HE       ARG  35  -6.833  -3.620   8.973
  250    HB2  ARG  35           HB2      ARG  35  -4.139  -3.821   7.943
  251    HB3  ARG  35           HB1      ARG  35  -4.830  -5.313   8.570
  252    HG2  ARG  35           HG2      ARG  35  -4.658  -4.650  10.729
  253    HG3  ARG  35           HG1      ARG  35  -3.292  -3.584  10.423
  254    HD2  ARG  35           HD2      ARG  35  -5.121  -2.172  10.900
  255    HD3  ARG  35           HD1      ARG  35  -4.895  -2.103   9.157
  256   HH11  ARG  35          HH11      ARG  35  -6.331  -1.923  11.986
  257   HH12  ARG  35          HH12      ARG  35  -8.019  -1.868  12.395
  258   HH21  ARG  35          HH21      ARG  35  -9.069  -3.562   9.491
  259   HH22  ARG  35          HH22      ARG  35  -9.580  -2.770  10.962
  260    H    ALA  36           HN       ALA  36  -1.935  -4.839   6.216
  261    HA   ALA  36           HA       ALA  36  -3.151  -7.205   5.058
  262    HB1  ALA  36           HB1      ALA  36  -2.788  -6.164   2.947
  263    HB2  ALA  36           HB2      ALA  36  -1.592  -5.061   3.632
  264    HB3  ALA  36           HB3      ALA  36  -3.293  -4.890   4.060
  265    H    GLY  37           HN       GLY  37  -0.324  -6.702   6.588
  266    HA2  GLY  37           HA2      GLY  37   1.411  -8.300   6.747
  267    HA3  GLY  37           HA1      GLY  37   1.012  -8.871   5.131
  268    H    ILE  38           HN       ILE  38   0.886  -5.944   4.335
  269    HA   ILE  38           HA       ILE  38   3.426  -5.751   3.159
  270    HB   ILE  38           HB       ILE  38   1.540  -3.445   3.644
  271   HG12  ILE  38          HG12      ILE  38   1.435  -5.286   1.257
  272   HG13  ILE  38          HG11      ILE  38   0.454  -5.580   2.692
  273   HG21  ILE  38          HG21      ILE  38   3.518  -4.050   1.453
  274   HG22  ILE  38          HG22      ILE  38   3.705  -2.849   2.730
  275   HG23  ILE  38          HG23      ILE  38   2.452  -2.644   1.505
  276   HD11  ILE  38          HD11      ILE  38  -0.853  -4.422   1.049
  277   HD12  ILE  38          HD12      ILE  38   0.376  -3.162   0.906
  278   HD13  ILE  38          HD13      ILE  38  -0.538  -3.337   2.403
  279    H    SER  39           HN       SER  39   5.205  -5.571   4.393
  280    HA   SER  39           HA       SER  39   5.162  -3.898   6.777
  281    HG   SER  39           HG       SER  39   5.030  -6.458   6.513
  282    HB2  SER  39           HB2      SER  39   7.374  -5.666   5.766
  283    HB3  SER  39           HB1      SER  39   7.201  -5.005   7.388
  284    H    GLU  40           HN       GLU  40   7.657  -2.987   7.061
  285    HA   GLU  40           HA       GLU  40   7.721  -0.608   5.658
  286    HB2  GLU  40           HB2      GLU  40   8.935  -0.917   7.718
  287    HB3  GLU  40           HB1      GLU  40   9.966  -2.134   6.981
  288    HG2  GLU  40           HG2      GLU  40  10.854  -0.370   5.467
  289    HG3  GLU  40           HG1      GLU  40   9.910   0.810   6.376
  290    H    ALA  41           HN       ALA  41   9.694  -3.506   5.030
  291    HA   ALA  41           HA       ALA  41  11.107  -2.584   2.829
  292    HB1  ALA  41           HB1      ALA  41  11.601  -4.679   4.007
  293    HB2  ALA  41           HB2      ALA  41  11.476  -4.919   2.263
  294    HB3  ALA  41           HB3      ALA  41  10.148  -5.402   3.318
  295    H    GLN  42           HN       GLN  42   8.001  -4.315   2.864
  296    HA   GLN  42           HA       GLN  42   7.688  -4.445   0.081
  297    HB2  GLN  42           HB2      GLN  42   5.775  -4.633   2.373
  298    HB3  GLN  42           HB1      GLN  42   5.173  -4.602   0.722
  299    HG2  GLN  42           HG2      GLN  42   6.623  -6.551   0.220
  300    HG3  GLN  42           HG1      GLN  42   7.047  -6.617   1.930
  301   HE21  GLN  42          HE21      GLN  42   4.558  -7.127  -0.429
  302   HE22  GLN  42          HE22      GLN  42   3.469  -7.984   0.605
  303    H    LEU  43           HN       LEU  43   6.861  -1.928   2.383
  304    HA   LEU  43           HA       LEU  43   5.291  -0.420   0.530
  305    HG   LEU  43           HG       LEU  43   4.492  -1.133   3.308
  306    HB2  LEU  43           HB2      LEU  43   6.514   0.229   3.196
  307    HB3  LEU  43           HB1      LEU  43   5.663   1.436   2.247
  308   HD11  LEU  43          HD11      LEU  43   3.166   0.294   4.728
  309   HD12  LEU  43          HD12      LEU  43   3.906   1.733   4.028
  310   HD13  LEU  43          HD13      LEU  43   4.878   0.625   5.000
  311   HD21  LEU  43          HD21      LEU  43   3.552  -0.559   1.141
  312   HD22  LEU  43          HD22      LEU  43   3.237   1.084   1.698
  313   HD23  LEU  43          HD23      LEU  43   2.376  -0.273   2.424
  314    H    THR  44           HN       THR  44   8.612  -0.877   0.925
  315    HA   THR  44           HA       THR  44   9.118   1.512  -0.711
  316    HB   THR  44           HB       THR  44  11.568   1.108   0.057
  317    HG1  THR  44           HG1      THR  44  10.132  -0.175   2.170
  318   HG21  THR  44          HG21      THR  44  10.247   3.068   0.678
  319   HG22  THR  44          HG22      THR  44  11.211   2.508   2.045
  320   HG23  THR  44          HG23      THR  44   9.485   2.155   1.980
  321    H    ASP  45           HN       ASP  45   8.298  -1.356  -1.303
  322    HA   ASP  45           HA       ASP  45  10.458  -2.062  -3.164
  323    HB2  ASP  45           HB2      ASP  45   8.490  -3.623  -1.677
  324    HB3  ASP  45           HB1      ASP  45   8.517  -4.038  -3.389
  325    H    ALA  46           HN       ALA  46  10.051  -2.316  -5.379
  326    HA   ALA  46           HA       ALA  46   8.433  -0.267  -6.415
  327    HB1  ALA  46           HB1      ALA  46  10.488  -1.084  -7.491
  328    HB2  ALA  46           HB2      ALA  46   9.115  -1.043  -8.599
  329    HB3  ALA  46           HB3      ALA  46   9.650  -2.578  -7.915
  330    H    GLU  47           HN       GLU  47   8.130  -3.751  -7.144
  331    HA   GLU  47           HA       GLU  47   5.696  -3.426  -8.504
  332    HB2  GLU  47           HB2      GLU  47   5.504  -5.920  -8.345
  333    HB3  GLU  47           HB1      GLU  47   7.009  -5.336  -9.033
  334    HG2  GLU  47           HG2      GLU  47   6.913  -5.952  -6.123
  335    HG3  GLU  47           HG1      GLU  47   6.961  -7.282  -7.276
  336    H    THR  48           HN       THR  48   6.334  -4.561  -5.190
  337    HA   THR  48           HA       THR  48   3.777  -5.149  -4.385
  338    HB   THR  48           HB       THR  48   5.765  -3.680  -2.655
  339    HG1  THR  48           HG1      THR  48   6.925  -5.476  -2.577
  340   HG21  THR  48          HG21      THR  48   3.568  -5.665  -2.065
  341   HG22  THR  48          HG22      THR  48   3.599  -3.957  -1.623
  342   HG23  THR  48          HG23      THR  48   4.737  -5.082  -0.880
  343    H    SER  49           HN       SER  49   5.354  -1.962  -3.991
  344    HA   SER  49           HA       SER  49   3.098  -0.720  -2.866
  345    HG   SER  49           HG       SER  49   6.430  -0.375  -2.731
  346    HB2  SER  49           HB2      SER  49   5.404   0.573  -4.330
  347    HB3  SER  49           HB1      SER  49   4.313   1.364  -3.189
  348    H    LYS  50           HN       LYS  50   4.180  -1.020  -6.210
  349    HA   LYS  50           HA       LYS  50   2.511   0.936  -7.338
  350    HB2  LYS  50           HB2      LYS  50   4.406  -0.175  -8.513
  351    HB3  LYS  50           HB1      LYS  50   3.433  -1.636  -8.636
  352    HG2  LYS  50           HG2      LYS  50   1.776  -0.405  -9.964
  353    HG3  LYS  50           HG1      LYS  50   2.783   1.039  -9.860
  354    HD2  LYS  50           HD2      LYS  50   4.607  -0.199 -10.984
  355    HD3  LYS  50           HD1      LYS  50   3.525  -1.580 -11.157
  356    HE2  LYS  50           HE2      LYS  50   3.096   1.161 -12.327
  357    HE3  LYS  50           HE1      LYS  50   3.627  -0.265 -13.211
  358    HZ1  LYS  50           HZ1      LYS  50   1.299   0.042 -13.559
  359    HZ2  LYS  50           HZ2      LYS  50   0.995   0.136 -11.892
  360    HZ3  LYS  50           HZ3      LYS  50   1.503  -1.328 -12.580
  361    H    LEU  51           HN       LEU  51   1.962  -2.472  -6.608
  362    HA   LEU  51           HA       LEU  51  -0.636  -2.536  -7.799
  363    HG   LEU  51           HG       LEU  51   1.752  -4.560  -7.999
  364    HB2  LEU  51           HB2      LEU  51   0.686  -4.394  -5.832
  365    HB3  LEU  51           HB1      LEU  51  -0.888  -4.681  -6.552
  366   HD11  LEU  51          HD11      LEU  51  -0.203  -6.799  -7.514
  367   HD12  LEU  51          HD12      LEU  51   1.369  -6.608  -6.740
  368   HD13  LEU  51          HD13      LEU  51   1.271  -6.907  -8.476
  369   HD21  LEU  51          HD21      LEU  51   0.340  -5.319  -9.935
  370   HD22  LEU  51          HD22      LEU  51   0.163  -3.626  -9.480
  371   HD23  LEU  51          HD23      LEU  51  -1.068  -4.801  -9.012
  372    H    ILE  52           HN       ILE  52   0.594  -2.020  -4.511
  373    HA   ILE  52           HA       ILE  52  -1.880  -2.019  -3.192
  374    HB   ILE  52           HB       ILE  52   0.433  -0.210  -2.501
  375   HG12  ILE  52          HG12      ILE  52  -0.016  -3.100  -1.722
  376   HG13  ILE  52          HG11      ILE  52   1.239  -2.511  -2.809
  377   HG21  ILE  52          HG21      ILE  52  -1.760  -1.451  -0.842
  378   HG22  ILE  52          HG22      ILE  52  -1.612   0.250  -1.284
  379   HG23  ILE  52          HG23      ILE  52  -0.424  -0.488  -0.209
  380   HD11  ILE  52          HD11      ILE  52   0.985  -2.155   0.141
  381   HD12  ILE  52          HD12      ILE  52   1.991  -1.075  -0.825
  382   HD13  ILE  52          HD13      ILE  52   2.335  -2.807  -0.790
  383    H    TYR  53           HN       TYR  53  -0.105   0.595  -4.792
  384    HA   TYR  53           HA       TYR  53  -1.970   2.638  -4.200
  385    HD1  TYR  53           HD2      TYR  53  -1.549   4.738  -3.943
  386    HD2  TYR  53           HD1      TYR  53  -0.128   4.352  -7.943
  387    HE1  TYR  53           HE2      TYR  53  -2.148   7.075  -4.382
  388    HE2  TYR  53           HE1      TYR  53  -0.730   6.697  -8.383
  389    HH   TYR  53           HH       TYR  53  -1.583   8.856  -5.860
  390    HB2  TYR  53           HB2      TYR  53   0.414   2.940  -4.960
  391    HB3  TYR  53           HB1      TYR  53  -0.113   2.497  -6.579
  392    H    ASP  54           HN       ASP  54  -1.554   0.467  -6.946
  393    HA   ASP  54           HA       ASP  54  -3.703   1.316  -8.530
  394    HB2  ASP  54           HB2      ASP  54  -2.147  -0.193  -9.489
  395    HB3  ASP  54           HB1      ASP  54  -2.322  -1.340  -8.167
  396    H    PHE  55           HN       PHE  55  -3.516  -0.962  -5.878
  397    HA   PHE  55           HA       PHE  55  -6.129  -1.945  -5.845
  398    HD1  PHE  55           HD1      PHE  55  -6.654  -4.115  -3.917
  399    HD2  PHE  55           HD2      PHE  55  -5.020  -0.824  -1.756
  400    HE1  PHE  55           HE1      PHE  55  -8.087  -4.668  -2.001
  401    HE2  PHE  55           HE2      PHE  55  -6.455  -1.377   0.162
  402    HZ   PHE  55           HZ       PHE  55  -7.990  -3.303   0.049
  403    HB2  PHE  55           HB2      PHE  55  -4.509  -3.055  -4.543
  404    HB3  PHE  55           HB1      PHE  55  -3.999  -1.571  -3.753
  405    H    ILE  56           HN       ILE  56  -4.702   0.770  -4.087
  406    HA   ILE  56           HA       ILE  56  -6.965   1.619  -2.702
  407    HB   ILE  56           HB       ILE  56  -4.558   3.141  -3.701
  408   HG12  ILE  56          HG12      ILE  56  -5.288   2.159  -0.937
  409   HG13  ILE  56          HG11      ILE  56  -4.270   1.266  -2.061
  410   HG21  ILE  56          HG21      ILE  56  -6.417   4.705  -3.348
  411   HG22  ILE  56          HG22      ILE  56  -5.137   4.924  -2.152
  412   HG23  ILE  56          HG23      ILE  56  -6.622   4.078  -1.711
  413   HD11  ILE  56          HD11      ILE  56  -3.675   3.962  -0.879
  414   HD12  ILE  56          HD12      ILE  56  -2.663   3.104  -2.040
  415   HD13  ILE  56          HD13      ILE  56  -2.934   2.425  -0.434
  416    H    GLU  57           HN       GLU  57  -5.734   2.604  -5.869
  417    HA   GLU  57           HA       GLU  57  -7.813   4.398  -6.503
  418    HB2  GLU  57           HB2      GLU  57  -5.590   3.073  -7.881
  419    HB3  GLU  57           HB1      GLU  57  -6.956   3.442  -8.919
  420    HG2  GLU  57           HG2      GLU  57  -5.482   5.412  -7.181
  421    HG3  GLU  57           HG1      GLU  57  -5.298   5.232  -8.926
  422    H    ASP  58           HN       ASP  58  -7.390   0.955  -7.044
  423    HA   ASP  58           HA       ASP  58  -9.582   0.530  -8.741
  424    HB2  ASP  58           HB2      ASP  58  -7.797  -1.095  -8.535
  425    HB3  ASP  58           HB1      ASP  58  -8.193  -1.360  -6.841
  426    H    GLN  59           HN       GLN  59  -9.370   0.722  -5.249
  427    HA   GLN  59           HA       GLN  59 -12.005  -0.349  -4.813
  428    HB2  GLN  59           HB2      GLN  59 -10.151   1.144  -2.956
  429    HB3  GLN  59           HB1      GLN  59 -11.671   0.408  -2.467
  430    HG2  GLN  59           HG2      GLN  59  -9.240  -1.009  -3.531
  431    HG3  GLN  59           HG1      GLN  59  -9.841  -1.031  -1.875
  432   HE21  GLN  59          HE21      GLN  59  -9.371  -3.209  -3.760
  433   HE22  GLN  59          HE22      GLN  59 -10.870  -4.051  -3.890
  434    H    GLY  60           HN       GLY  60 -11.065   2.461  -6.159
  435    HA2  GLY  60           HA2      GLY  60 -12.969   3.911  -6.792
  436    HA3  GLY  60           HA1      GLY  60 -13.424   3.888  -5.094
  437    H    GLY  61           HN       GLY  61 -10.349   4.006  -4.609
  438    HA2  GLY  61           HA2      GLY  61  -8.857   5.939  -5.353
  439    HA3  GLY  61           HA1      GLY  61 -10.212   6.940  -4.858
  440    H    LEU  62           HN       LEU  62  -8.105   7.681  -3.666
  441    HA   LEU  62           HA       LEU  62  -7.069   6.220  -1.523
  442    HG   LEU  62           HG       LEU  62  -6.272   8.310   0.420
  443    HB2  LEU  62           HB2      LEU  62  -6.120   8.288  -2.596
  444    HB3  LEU  62           HB1      LEU  62  -7.284   9.217  -1.672
  445   HD11  LEU  62          HD11      LEU  62  -4.190   7.225  -1.478
  446   HD12  LEU  62          HD12      LEU  62  -5.294   6.276  -0.482
  447   HD13  LEU  62          HD13      LEU  62  -4.054   7.271   0.280
  448   HD21  LEU  62          HD21      LEU  62  -5.669  10.513  -0.435
  449   HD22  LEU  62          HD22      LEU  62  -4.404   9.790  -1.427
  450   HD23  LEU  62          HD23      LEU  62  -4.286   9.732   0.332
  451    H    GLU  63           HN       GLU  63  -9.947   8.190  -1.745
  452    HA   GLU  63           HA       GLU  63 -10.341   8.541   1.041
  453    HB2  GLU  63           HB2      GLU  63 -11.579  10.124  -0.007
  454    HB3  GLU  63           HB1      GLU  63 -11.781   9.149  -1.456
  455    HG2  GLU  63           HG2      GLU  63 -13.488   7.849  -0.322
  456    HG3  GLU  63           HG1      GLU  63 -13.326   8.876   1.101
  457    H    ALA  64           HN       ALA  64 -11.484   6.209  -1.354
  458    HA   ALA  64           HA       ALA  64 -13.525   5.041   0.159
  459    HB1  ALA  64           HB1      ALA  64 -13.398   3.187  -1.414
  460    HB2  ALA  64           HB2      ALA  64 -11.836   3.772  -1.991
  461    HB3  ALA  64           HB3      ALA  64 -13.289   4.735  -2.252
  462    H    VAL  65           HN       VAL  65 -10.101   4.284  -0.078
  463    HA   VAL  65           HA       VAL  65 -10.145   1.856   1.356
  464    HB   VAL  65           HB       VAL  65  -7.914   3.859   0.956
  465   HG11  VAL  65          HG11      VAL  65  -7.761   1.013   1.937
  466   HG12  VAL  65          HG12      VAL  65  -7.449   2.459   2.894
  467   HG13  VAL  65          HG13      VAL  65  -6.386   2.047   1.549
  468   HG21  VAL  65          HG21      VAL  65  -8.592   1.296  -0.478
  469   HG22  VAL  65          HG22      VAL  65  -7.164   2.287  -0.773
  470   HG23  VAL  65          HG23      VAL  65  -8.772   2.930  -1.114
  471    H    ARG  66           HN       ARG  66  -9.736   5.207   2.324
  472    HA   ARG  66           HA       ARG  66  -9.098   4.736   5.035
  473    HE   ARG  66           HE       ARG  66  -8.670   8.916   5.733
  474    HB2  ARG  66           HB2      ARG  66 -10.427   7.129   3.760
  475    HB3  ARG  66           HB1      ARG  66  -9.687   7.101   5.358
  476    HG2  ARG  66           HG2      ARG  66  -7.520   6.602   4.315
  477    HG3  ARG  66           HG1      ARG  66  -8.282   6.700   2.729
  478    HD2  ARG  66           HD2      ARG  66  -7.200   8.789   3.169
  479    HD3  ARG  66           HD1      ARG  66  -8.943   9.040   3.271
  480   HH11  ARG  66          HH11      ARG  66  -5.976   9.812   3.687
  481   HH12  ARG  66          HH12      ARG  66  -5.066  10.541   4.975
  482   HH21  ARG  66          HH21      ARG  66  -7.502   9.922   7.422
  483   HH22  ARG  66          HH22      ARG  66  -5.948  10.626   7.088
  484    H    GLN  67           HN       GLN  67 -12.062   4.866   3.245
  485    HA   GLN  67           HA       GLN  67 -13.794   5.165   5.501
  486    HB2  GLN  67           HB2      GLN  67 -14.407   4.203   2.704
  487    HB3  GLN  67           HB1      GLN  67 -15.596   4.644   3.920
  488    HG2  GLN  67           HG2      GLN  67 -13.545   6.530   2.797
  489    HG3  GLN  67           HG1      GLN  67 -15.194   6.382   2.197
  490   HE21  GLN  67          HE21      GLN  67 -15.728   8.483   2.699
  491   HE22  GLN  67          HE22      GLN  67 -15.943   9.035   4.327
  492    H    GLU  68           HN       GLU  68 -12.474   2.501   3.640
  493    HA   GLU  68           HA       GLU  68 -14.229   0.487   4.507
  494    HB2  GLU  68           HB2      GLU  68 -11.356   0.204   3.616
  495    HB3  GLU  68           HB1      GLU  68 -12.536  -1.101   3.721
  496    HG2  GLU  68           HG2      GLU  68 -13.933   0.403   2.131
  497    HG3  GLU  68           HG1      GLU  68 -12.376   1.164   1.804
  498    H    MET  69           HN       MET  69 -11.586   1.996   6.086
  499    HA   MET  69           HA       MET  69 -10.795   0.071   7.933
  500    HB2  MET  69           HB2      MET  69 -10.898   3.059   7.957
  501    HB3  MET  69           HB1      MET  69 -10.486   2.203   9.436
  502    HG2  MET  69           HG2      MET  69  -9.056   1.835   6.822
  503    HG3  MET  69           HG1      MET  69  -8.545   2.943   8.094
  504    HE1  MET  69           HE1      MET  69  -6.635   0.851   6.938
  505    HE2  MET  69           HE2      MET  69  -5.943   0.037   8.341
  506    HE3  MET  69           HE3      MET  69  -6.135   1.791   8.345
  507    H    ARG  70           HN       ARG  70 -13.543   2.219   7.897
  508    HA   ARG  70           HA       ARG  70 -14.639   0.820  10.219
  509    HE   ARG  70           HE       ARG  70 -13.075   4.649  11.060
  510    HB2  ARG  70           HB2      ARG  70 -15.800   2.931  10.815
  511    HB3  ARG  70           HB1      ARG  70 -14.054   3.046  10.906
  512    HG2  ARG  70           HG2      ARG  70 -15.440   3.963   8.436
  513    HG3  ARG  70           HG1      ARG  70 -15.456   4.981   9.873
  514    HD2  ARG  70           HD2      ARG  70 -13.059   4.022   8.311
  515    HD3  ARG  70           HD1      ARG  70 -13.612   5.675   8.538
  516   HH11  ARG  70          HH11      ARG  70 -11.297   5.417   8.128
  517   HH12  ARG  70          HH12      ARG  70  -9.787   5.669   8.957
  518   HH21  ARG  70          HH21      ARG  70 -11.096   4.998  12.155
  519   HH22  ARG  70          HH22      ARG  70  -9.678   5.451  11.246
  520    H    ARG  71           HN       ARG  71 -14.837   0.132   7.486
  521    HA   ARG  71           HA       ARG  71 -17.686   0.663   6.913
  522    HE   ARG  71           HE       ARG  71 -18.594   0.185   1.709
  523    HB2  ARG  71           HB2      ARG  71 -16.254   1.639   5.242
  524    HB3  ARG  71           HB1      ARG  71 -15.412   0.110   5.029
  525    HG2  ARG  71           HG2      ARG  71 -17.465  -0.904   4.186
  526    HG3  ARG  71           HG1      ARG  71 -18.294   0.642   4.400
  527    HD2  ARG  71           HD2      ARG  71 -16.939   1.692   2.756
  528    HD3  ARG  71           HD1      ARG  71 -15.819   0.332   2.715
  529   HH11  ARG  71          HH11      ARG  71 -15.198  -0.663   1.523
  530   HH12  ARG  71          HH12      ARG  71 -15.355  -1.502   0.016
  531   HH21  ARG  71          HH21      ARG  71 -18.810  -0.931  -0.263
  532   HH22  ARG  71          HH22      ARG  71 -17.419  -1.679  -0.987
  533    H    GLN  72           HN       GLN  72 -15.208  -1.709   6.035
  534    HA   GLN  72           HA       GLN  72 -15.298  -3.908   5.548
  535    HB2  GLN  72           HB2      GLN  72 -15.754  -4.165   7.953
  536    HB3  GLN  72           HB1      GLN  72 -17.479  -3.990   7.646
  537    HG2  GLN  72           HG2      GLN  72 -17.514  -6.025   6.376
  538    HG3  GLN  72           HG1      GLN  72 -15.762  -6.168   6.481
  539   HE21  GLN  72          HE21      GLN  72 -15.862  -8.172   7.422
  540   HE22  GLN  72          HE22      GLN  72 -16.378  -8.418   9.057
  541    H1   GLY  73           HT1      GLY  73  -8.559 -18.506   6.106
  542    H2   GLY  73           HT2      GLY  73  -8.878 -17.394   4.864
  543    H3   GLY  73           HT3      GLY  73  -9.122 -16.952   6.482
  544    HA2  GLY  73           HA1      GLY  73  -6.749 -17.156   6.917
  545    HA3  GLY  73           HA2      GLY  73  -6.509 -17.587   5.230
  546    H    HIS  74           HN       HIS  74  -8.928 -15.230   5.967
  547    HA   HIS  74           HA       HIS  74  -7.078 -12.994   5.593
  548    HD1  HIS  74           HD1      HIS  74  -8.077 -15.386   2.573
  549    HD2  HIS  74           HD2      HIS  74  -6.373 -11.583   2.522
  550    HE1  HIS  74           HE1      HIS  74  -6.286 -15.471   0.815
  551    HE2  HIS  74           HE2      HIS  74  -5.108 -13.256   0.981
  552    HB2  HIS  74           HB2      HIS  74  -9.457 -13.565   3.811
  553    HB3  HIS  74           HB1      HIS  74  -8.744 -11.965   3.956
  554    H    MET  75           HN       MET  75  -7.878 -13.325   7.966
  555    HA   MET  75           HA       MET  75 -10.623 -12.614   8.469
  556    HB2  MET  75           HB2      MET  75  -9.267 -14.247   9.832
  557    HB3  MET  75           HB1      MET  75  -8.392 -12.868  10.480
  558    HG2  MET  75           HG2      MET  75 -10.025 -13.452  12.074
  559    HG3  MET  75           HG1      MET  75 -10.589 -11.976  11.296
  560    HE1  MET  75           HE1      MET  75 -12.861 -11.756  10.037
  561    HE2  MET  75           HE2      MET  75 -13.629 -13.111   9.210
  562    HE3  MET  75           HE3      MET  75 -12.015 -12.586   8.732
  563    H    LEU  76           HN       LEU  76  -9.836 -10.550   7.103
  564    HA   LEU  76           HA       LEU  76  -9.403  -8.418   9.089
  565    HG   LEU  76           HG       LEU  76  -6.392  -7.709   7.021
  566    HB2  LEU  76           HB2      LEU  76  -8.593  -8.504   6.175
  567    HB3  LEU  76           HB1      LEU  76  -8.669  -7.018   7.098
  568   HD11  LEU  76          HD11      LEU  76  -7.109  -6.756   9.130
  569   HD12  LEU  76          HD12      LEU  76  -5.860  -7.973   9.390
  570   HD13  LEU  76          HD13      LEU  76  -7.547  -8.358   9.724
  571   HD21  LEU  76          HD21      LEU  76  -6.694 -10.051   6.481
  572   HD22  LEU  76          HD22      LEU  76  -7.303 -10.366   8.104
  573   HD23  LEU  76          HD23      LEU  76  -5.626  -9.871   7.873
  574    HA   PRO  77           HA       PRO  77 -13.517  -7.339   7.787
  575    HB2  PRO  77           HB2      PRO  77 -14.013  -5.544   9.676
  576    HB3  PRO  77           HB1      PRO  77 -13.806  -7.249  10.099
  577    HG2  PRO  77           HG2      PRO  77 -11.851  -4.994  10.325
  578    HG3  PRO  77           HG1      PRO  77 -12.201  -6.290  11.482
  579    HD2  PRO  77           HD2      PRO  77 -10.079  -6.301   9.700
  580    HD3  PRO  77           HD1      PRO  77 -10.786  -7.750  10.445
  581    H    ASP  78           HN       ASP  78 -11.230  -6.134   6.385
  582    HA   ASP  78           HA       ASP  78 -12.399  -3.674   5.533
  583    HB2  ASP  78           HB2      ASP  78 -10.616  -2.173   6.224
  584    HB3  ASP  78           HB1      ASP  78 -11.311  -2.949   7.643
  585    H    VAL  79           HN       VAL  79 -10.343  -2.439   4.404
  586    HA   VAL  79           HA       VAL  79  -9.769  -3.576   2.002
  587    HB   VAL  79           HB       VAL  79  -7.490  -2.134   2.559
  588   HG11  VAL  79          HG11      VAL  79  -8.388  -0.476   1.146
  589   HG12  VAL  79          HG12      VAL  79 -10.040  -0.994   1.494
  590   HG13  VAL  79          HG13      VAL  79  -8.966  -2.035   0.565
  591   HG21  VAL  79          HG21      VAL  79  -8.165  -0.161   3.715
  592   HG22  VAL  79          HG22      VAL  79  -8.548  -1.542   4.740
  593   HG23  VAL  79          HG23      VAL  79  -9.827  -0.735   3.822
  594    H    ALA  80           HN       ALA  80  -8.063  -4.132   5.019
  595    HA   ALA  80           HA       ALA  80  -5.575  -4.839   4.054
  596    HB1  ALA  80           HB1      ALA  80  -5.909  -4.379   6.344
  597    HB2  ALA  80           HB2      ALA  80  -5.273  -6.022   6.207
  598    HB3  ALA  80           HB3      ALA  80  -6.988  -5.765   6.535
  599    H    GLN  81           HN       GLN  81  -8.381  -6.987   4.502
  600    HA   GLN  81           HA       GLN  81  -6.935  -9.376   3.880
  601    HB2  GLN  81           HB2      GLN  81  -9.083 -10.469   3.774
  602    HB3  GLN  81           HB1      GLN  81  -9.154  -9.307   5.093
  603    HG2  GLN  81           HG2      GLN  81 -10.380  -7.751   3.701
  604    HG3  GLN  81           HG1      GLN  81 -10.240  -8.837   2.324
  605   HE21  GLN  81          HE21      GLN  81 -10.717 -11.196   4.067
  606   HE22  GLN  81          HE22      GLN  81 -12.415 -11.191   4.377
  607    H    ARG  82           HN       ARG  82  -8.582  -6.949   2.081
  608    HA   ARG  82           HA       ARG  82  -8.805  -8.415  -0.365
  609    HE   ARG  82           HE       ARG  82 -11.856  -6.476  -3.338
  610    HB2  ARG  82           HB2      ARG  82 -10.318  -6.548   0.429
  611    HB3  ARG  82           HB1      ARG  82  -9.008  -5.433   0.084
  612    HG2  ARG  82           HG2      ARG  82 -10.656  -5.479  -1.706
  613    HG3  ARG  82           HG1      ARG  82  -9.076  -6.044  -2.252
  614    HD2  ARG  82           HD2      ARG  82  -9.764  -8.248  -2.385
  615    HD3  ARG  82           HD1      ARG  82 -11.121  -7.998  -1.289
  616   HH11  ARG  82          HH11      ARG  82 -10.578  -9.743  -3.293
  617   HH12  ARG  82          HH12      ARG  82 -11.434 -10.225  -4.721
  618   HH21  ARG  82          HH21      ARG  82 -13.008  -7.131  -5.205
  619   HH22  ARG  82          HH22      ARG  82 -12.808  -8.757  -5.806
  620    H    LEU  83           HN       LEU  83  -6.332  -6.762   1.239
  621    HA   LEU  83           HA       LEU  83  -4.910  -5.943  -1.152
  622    HG   LEU  83           HG       LEU  83  -4.846  -3.647  -0.097
  623    HB2  LEU  83           HB2      LEU  83  -4.727  -5.374   1.668
  624    HB3  LEU  83           HB1      LEU  83  -3.160  -5.859   1.045
  625   HD11  LEU  83          HD11      LEU  83  -2.367  -3.452   1.588
  626   HD12  LEU  83          HD12      LEU  83  -4.006  -3.116   2.147
  627   HD13  LEU  83          HD13      LEU  83  -3.278  -2.110   0.893
  628   HD21  LEU  83          HD21      LEU  83  -2.027  -4.499  -0.697
  629   HD22  LEU  83          HD22      LEU  83  -2.830  -3.074  -1.356
  630   HD23  LEU  83          HD23      LEU  83  -3.421  -4.686  -1.761
  631    H    MET  84           HN       MET  84  -4.737  -8.454   1.318
  632    HA   MET  84           HA       MET  84  -2.326  -9.646   0.522
  633    HB2  MET  84           HB2      MET  84  -4.799 -10.992   1.632
  634    HB3  MET  84           HB1      MET  84  -3.187 -11.691   1.592
  635    HG2  MET  84           HG2      MET  84  -2.383  -9.981   3.110
  636    HG3  MET  84           HG1      MET  84  -3.973  -9.218   3.115
  637    HE1  MET  84           HE1      MET  84  -4.140  -9.277   5.741
  638    HE2  MET  84           HE2      MET  84  -2.501  -9.929   5.760
  639    HE3  MET  84           HE3      MET  84  -3.771 -10.706   6.708
  640    H    GLN  85           HN       GLN  85  -5.587  -9.919  -0.705
  641    HA   GLN  85           HA       GLN  85  -5.070 -12.046  -2.543
  642    HB2  GLN  85           HB2      GLN  85  -7.263  -9.959  -2.586
  643    HB3  GLN  85           HB1      GLN  85  -7.259 -11.480  -3.468
  644    HG2  GLN  85           HG2      GLN  85  -7.519 -12.739  -1.492
  645    HG3  GLN  85           HG1      GLN  85  -7.152 -11.347  -0.471
  646   HE21  GLN  85          HE21      GLN  85  -9.086 -11.545   0.655
  647   HE22  GLN  85          HE22      GLN  85 -10.608 -11.110  -0.037
  648    H    HIS  86           HN       HIS  86  -4.887  -8.547  -2.642
  649    HA   HIS  86           HA       HIS  86  -5.010  -8.326  -5.479
  650    HD1  HIS  86           HD1      HIS  86  -6.728  -5.777  -6.041
  651    HD2  HIS  86           HD2      HIS  86  -2.699  -4.833  -5.609
  652    HE1  HIS  86           HE1      HIS  86  -6.207  -4.176  -7.904
  653    HE2  HIS  86           HE2      HIS  86  -3.796  -3.548  -7.585
  654    HB2  HIS  86           HB2      HIS  86  -5.676  -6.546  -3.802
  655    HB3  HIS  86           HB1      HIS  86  -3.960  -6.243  -3.563
  656    H    LEU  87           HN       LEU  87  -2.346  -8.447  -3.141
  657    HA   LEU  87           HA       LEU  87  -0.362  -7.920  -5.159
  658    HG   LEU  87           HG       LEU  87   1.504  -6.823  -2.378
  659    HB2  LEU  87           HB2      LEU  87  -0.171  -8.896  -2.320
  660    HB3  LEU  87           HB1      LEU  87   1.231  -8.829  -3.364
  661   HD11  LEU  87          HD11      LEU  87   0.917  -6.390  -4.798
  662   HD12  LEU  87          HD12      LEU  87   0.770  -5.017  -3.694
  663   HD13  LEU  87          HD13      LEU  87  -0.672  -5.886  -4.218
  664   HD21  LEU  87          HD21      LEU  87  -0.248  -5.494  -1.346
  665   HD22  LEU  87          HD22      LEU  87  -0.326  -7.174  -0.802
  666   HD23  LEU  87          HD23      LEU  87  -1.473  -6.583  -2.005
  667    H    ALA  88           HN       ALA  88  -1.791 -10.746  -3.687
  668    HA   ALA  88           HA       ALA  88   0.160 -12.641  -4.349
  669    HB1  ALA  88           HB1      ALA  88  -1.551 -14.308  -3.872
  670    HB2  ALA  88           HB2      ALA  88  -2.795 -13.058  -3.931
  671    HB3  ALA  88           HB3      ALA  88  -1.564 -13.018  -2.668
  672    H    GLU  89           HN       GLU  89  -2.265 -11.189  -6.339
  673    HA   GLU  89           HA       GLU  89  -2.417 -13.399  -8.188
  674    HB2  GLU  89           HB2      GLU  89  -3.606 -10.638  -8.302
  675    HB3  GLU  89           HB1      GLU  89  -3.913 -11.920  -9.467
  676    HG2  GLU  89           HG2      GLU  89  -4.542 -12.069  -6.529
  677    HG3  GLU  89           HG1      GLU  89  -5.701 -11.707  -7.810
  678    H    HIS  90           HN       HIS  90   0.025 -11.283  -7.795
  679    HA   HIS  90           HA       HIS  90   0.486 -11.190 -10.700
  680    HD1  HIS  90           HD1      HIS  90  -0.039  -8.515 -12.232
  681    HD2  HIS  90           HD2      HIS  90  -1.506  -8.304  -8.347
  682    HE1  HIS  90           HE1      HIS  90  -2.291  -7.401 -12.412
  683    HE2  HIS  90           HE2      HIS  90  -3.246  -7.503 -10.081
  684    HB2  HIS  90           HB2      HIS  90   1.152  -9.011  -8.720
  685    HB3  HIS  90           HB1      HIS  90   1.712  -9.035 -10.389
  686    H    GLY  91           HN       GLY  91   2.806  -9.914  -8.443
  687    HA2  GLY  91           HA2      GLY  91   4.400 -12.285  -8.250
  688    HA3  GLY  91           HA1      GLY  91   5.001 -11.180  -9.483
  689    H    ILE  92           HN       ILE  92   3.699 -10.954  -6.200
  690    HA   ILE  92           HA       ILE  92   5.500  -8.699  -5.670
  691    HB   ILE  92           HB       ILE  92   3.073  -9.726  -4.194
  692   HG12  ILE  92          HG12      ILE  92   2.395  -8.718  -6.219
  693   HG13  ILE  92          HG11      ILE  92   2.179  -7.486  -4.982
  694   HG21  ILE  92          HG21      ILE  92   4.736  -7.277  -3.636
  695   HG22  ILE  92          HG22      ILE  92   4.636  -8.717  -2.623
  696   HG23  ILE  92          HG23      ILE  92   3.216  -7.693  -2.846
  697   HD11  ILE  92          HD11      ILE  92   3.134  -6.512  -6.963
  698   HD12  ILE  92          HD12      ILE  92   4.458  -7.674  -6.931
  699   HD13  ILE  92          HD13      ILE  92   4.313  -6.469  -5.653
  700    H    GLN  93           HN       GLN  93   6.880  -8.652  -3.883
  701    HA   GLN  93           HA       GLN  93   7.479 -11.295  -2.747
  702    HB2  GLN  93           HB2      GLN  93   9.138  -8.767  -2.676
  703    HB3  GLN  93           HB1      GLN  93   9.634 -10.346  -2.079
  704    HG2  GLN  93           HG2      GLN  93   9.020  -9.634  -4.931
  705    HG3  GLN  93           HG1      GLN  93  10.618  -9.889  -4.238
  706   HE21  GLN  93          HE21      GLN  93   9.207 -11.226  -6.437
  707   HE22  GLN  93          HE22      GLN  93   9.212 -12.912  -6.037
  708    HA   PRO  94           HA       PRO  94   5.255  -9.716   0.857
  709    HB2  PRO  94           HB2      PRO  94   5.757 -12.457   1.795
  710    HB3  PRO  94           HB1      PRO  94   4.225 -11.604   1.596
  711    HG2  PRO  94           HG2      PRO  94   5.000 -13.609  -0.040
  712    HG3  PRO  94           HG1      PRO  94   3.992 -12.258  -0.587
  713    HD2  PRO  94           HD2      PRO  94   6.904 -12.755  -1.036
  714    HD3  PRO  94           HD1      PRO  94   5.701 -12.011  -2.106
  715    H    ALA  95           HN       ALA  95   6.084  -8.882   2.687
  716    HA   ALA  95           HA       ALA  95   8.904  -9.198   3.189
  717    HB1  ALA  95           HB1      ALA  95   8.598  -7.459   4.872
  718    HB2  ALA  95           HB2      ALA  95   6.848  -7.569   4.678
  719    HB3  ALA  95           HB3      ALA  95   7.848  -6.997   3.343
  720    H    ARG  96           HN       ARG  96   6.436 -11.099   3.916
  721    HA   ARG  96           HA       ARG  96   6.902 -11.759   6.637
  722    HE   ARG  96           HE       ARG  96   2.906 -13.174   6.464
  723    HB2  ARG  96           HB2      ARG  96   4.892 -12.395   5.167
  724    HB3  ARG  96           HB1      ARG  96   5.912 -13.677   4.529
  725    HG2  ARG  96           HG2      ARG  96   4.673 -14.707   6.213
  726    HG3  ARG  96           HG1      ARG  96   6.236 -14.381   6.968
  727    HD2  ARG  96           HD2      ARG  96   4.573 -13.741   8.541
  728    HD3  ARG  96           HD1      ARG  96   5.237 -12.252   7.866
  729   HH11  ARG  96          HH11      ARG  96   4.012 -11.299   9.212
  730   HH12  ARG  96          HH12      ARG  96   2.522 -10.424   9.376
  731   HH21  ARG  96          HH21      ARG  96   0.962 -12.038   6.673
  732   HH22  ARG  96          HH22      ARG  96   0.772 -10.845   7.926
  733    H    ASN  97           HN       ASN  97   8.572 -12.419   3.690
  734    HA   ASN  97           HA       ASN  97  10.617 -13.873   5.143
  735    HB2  ASN  97           HB2      ASN  97  10.656 -15.804   3.702
  736    HB3  ASN  97           HB1      ASN  97   9.024 -15.633   4.334
  737   HD21  ASN  97          HD21      ASN  97   7.363 -15.004   2.946
  738   HD22  ASN  97          HD22      ASN  97   7.522 -15.092   1.225
  739    H    MET  98           HN       MET  98  12.618 -13.555   4.336
  740    HA   MET  98           HA       MET  98  14.296 -12.551   3.148
  741    HB2  MET  98           HB2      MET  98  12.679 -13.591   0.813
  742    HB3  MET  98           HB1      MET  98  14.395 -13.208   0.801
  743    HG2  MET  98           HG2      MET  98  14.849 -14.993   2.356
  744    HG3  MET  98           HG1      MET  98  13.127 -15.337   2.509
  745    HE1  MET  98           HE1      MET  98  14.387 -18.489   0.610
  746    HE2  MET  98           HE2      MET  98  13.431 -17.885   1.962
  747    HE3  MET  98           HE3      MET  98  15.172 -17.610   1.924
  748    H    ALA  99           HN       ALA  99  13.102 -10.456   3.910
  749    HA   ALA  99           HA       ALA  99  11.946  -8.999   1.644
  750    HB1  ALA  99           HB1      ALA  99  10.555  -9.205   3.643
  751    HB2  ALA  99           HB2      ALA  99  10.952  -7.524   3.292
  752    HB3  ALA  99           HB3      ALA  99  11.793  -8.377   4.586
  753    H    GLU 100           HN       GLU 100  14.108  -8.597   0.763
  754    HA   GLU 100           HA       GLU 100  15.013  -6.015   1.759
  755    HB2  GLU 100           HB2      GLU 100  16.836  -8.368   1.295
  756    HB3  GLU 100           HB1      GLU 100  17.418  -6.713   1.202
  757    HG2  GLU 100           HG2      GLU 100  16.462  -6.424   3.545
  758    HG3  GLU 100           HG1      GLU 100  16.338  -8.182   3.579
  759    H    HIS 101           HN       HIS 101  15.465  -4.591   0.190
  760    HA   HIS 101           HA       HIS 101  15.634  -5.599  -2.573
  761    HD1  HIS 101           HD1      HIS 101  12.046  -4.065  -0.652
  762    HD2  HIS 101           HD2      HIS 101  15.081  -1.274  -1.220
  763    HE1  HIS 101           HE1      HIS 101  11.615  -2.245   1.023
  764    HE2  HIS 101           HE2      HIS 101  13.332  -0.478   0.514
  765    HB2  HIS 101           HB2      HIS 101  14.514  -3.360  -3.211
  766    HB3  HIS 101           HB1      HIS 101  13.498  -4.643  -2.572
  767    H    ILE 102           HN       ILE 102  17.906  -5.552  -2.016
  768    HA   ILE 102           HA       ILE 102  19.323  -3.208  -1.403
  769    HB   ILE 102           HB       ILE 102  20.305  -5.641  -2.910
  770   HG12  ILE 102          HG12      ILE 102  21.362  -6.076  -0.562
  771   HG13  ILE 102          HG11      ILE 102  20.093  -5.006   0.019
  772   HG21  ILE 102          HG21      ILE 102  21.861  -3.487  -1.487
  773   HG22  ILE 102          HG22      ILE 102  21.780  -3.737  -3.231
  774   HG23  ILE 102          HG23      ILE 102  22.544  -4.948  -2.202
  775   HD11  ILE 102          HD11      ILE 102  19.692  -7.575  -1.495
  776   HD12  ILE 102          HD12      ILE 102  18.411  -6.503  -0.927
  777   HD13  ILE 102          HD13      ILE 102  19.450  -7.328   0.235
  778    HA   PRO 103           HA       PRO 103  18.839  -0.886  -5.192
  779    HB2  PRO 103           HB2      PRO 103  21.388   0.305  -4.205
  780    HB3  PRO 103           HB1      PRO 103  19.901   1.103  -4.732
  781    HG2  PRO 103           HG2      PRO 103  20.515   0.930  -2.145
  782    HG3  PRO 103           HG1      PRO 103  18.840   0.763  -2.701
  783    HD2  PRO 103           HD2      PRO 103  20.754  -1.332  -1.781
  784    HD3  PRO 103           HD1      PRO 103  18.993  -1.237  -1.572
  785    HA   PRO 104           HA       PRO 104  21.552  -3.477  -7.619
  786    HB2  PRO 104           HB2      PRO 104  20.759  -2.479 -10.046
  787    HB3  PRO 104           HB1      PRO 104  19.876  -3.717  -9.150
  788    HG2  PRO 104           HG2      PRO 104  19.371  -0.778  -9.322
  789    HG3  PRO 104           HG1      PRO 104  18.210  -2.119  -9.333
  790    HD2  PRO 104           HD2      PRO 104  18.663  -0.630  -7.132
  791    HD3  PRO 104           HD1      PRO 104  18.277  -2.360  -7.038
  792    H    ALA 105           HN       ALA 105  23.622  -2.930  -7.505
  793    HA   ALA 105           HA       ALA 105  24.548  -0.299  -8.288
  794    HB1  ALA 105           HB1      ALA 105  26.752  -1.114  -7.579
  795    HB2  ALA 105           HB2      ALA 105  26.074  -2.724  -7.336
  796    HB3  ALA 105           HB3      ALA 105  25.533  -1.378  -6.333
  797    HA   PRO 106           HA       PRO 106  25.014  -1.549 -12.555
  798    HB2  PRO 106           HB2      PRO 106  26.568   0.625 -13.253
  799    HB3  PRO 106           HB1      PRO 106  24.803   0.626 -13.208
  800    HG2  PRO 106           HG2      PRO 106  26.752   1.618 -11.168
  801    HG3  PRO 106           HG1      PRO 106  25.216   2.332 -11.695
  802    HD2  PRO 106           HD2      PRO 106  25.407   0.983  -9.383
  803    HD3  PRO 106           HD1      PRO 106  23.951   0.882 -10.396
  804    H    ASN 107           HN       ASN 107  27.733  -0.348 -10.645
  805    HA   ASN 107           HA       ASN 107  29.269  -2.691 -11.139
  806    HB2  ASN 107           HB2      ASN 107  31.201  -1.635 -12.207
  807    HB3  ASN 107           HB1      ASN 107  29.783  -1.502 -13.235
  808   HD21  ASN 107          HD21      ASN 107  32.265   0.044 -13.137
  809   HD22  ASN 107          HD22      ASN 107  31.778   1.695 -12.943
  810    H    TRP 108           HN       TRP 108  30.937  -2.894  -9.663
  811    HA   TRP 108           HA       TRP 108  31.954  -2.647  -7.657
  812    HD1  TRP 108           HD1      TRP 108  34.154  -2.410  -8.772
  813    HE1  TRP 108           HE1      TRP 108  35.635  -1.546 -10.692
  814    HE3  TRP 108           HE3      TRP 108  32.128   2.252  -9.326
  815    HZ2  TRP 108           HZ2      TRP 108  35.910   0.801 -12.233
  816    HZ3  TRP 108           HZ3      TRP 108  33.062   3.746 -11.043
  817    HH2  TRP 108           HH2      TRP 108  34.914   3.034 -12.465
  818    HB2  TRP 108           HB2      TRP 108  31.506   0.326  -8.003
  819    HB3  TRP 108           HB1      TRP 108  32.645  -0.441  -6.903
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1 -13.367  22.844   5.274
    2    H2   GLY   1           HT2      GLY   1 -12.139  22.972   4.113
    3    H3   GLY   1           HT3      GLY   1 -12.004  23.804   5.587
    4    HA2  GLY   1           HA1      GLY   1 -11.954  21.662   6.766
    5    HA3  GLY   1           HA2      GLY   1 -11.950  20.864   5.199
    6    H    HIS   2           HN       HIS   2  -9.955  20.981   7.446
    7    HA   HIS   2           HA       HIS   2  -7.646  21.631   5.774
    8    HD1  HIS   2           HD1      HIS   2  -6.143  23.569   9.832
    9    HD2  HIS   2           HD2      HIS   2  -9.943  21.970   9.264
   10    HE1  HIS   2           HE1      HIS   2  -7.135  23.323  12.137
   11    HE2  HIS   2           HE2      HIS   2  -9.405  22.288  11.777
   12    HB2  HIS   2           HB2      HIS   2  -6.552  22.962   7.466
   13    HB3  HIS   2           HB1      HIS   2  -8.130  23.662   7.139
   14    H    MET   3           HN       MET   3  -5.717  20.603   6.401
   15    HA   MET   3           HA       MET   3  -4.436  18.894   7.151
   16    HB2  MET   3           HB2      MET   3  -6.158  19.169   9.621
   17    HB3  MET   3           HB1      MET   3  -4.698  18.192   9.528
   18    HG2  MET   3           HG2      MET   3  -4.883  21.178   9.196
   19    HG3  MET   3           HG1      MET   3  -4.225  20.310  10.580
   20    HE1  MET   3           HE1      MET   3  -2.670  22.646   8.985
   21    HE2  MET   3           HE2      MET   3  -1.047  21.956   8.964
   22    HE3  MET   3           HE3      MET   3  -2.045  21.818  10.411
   23    H    SER   4           HN       SER   4  -6.754  18.291   5.589
   24    HA   SER   4           HA       SER   4  -7.880  15.842   6.591
   25    HG   SER   4           HG       SER   4  -8.493  17.754   3.056
   26    HB2  SER   4           HB2      SER   4  -8.655  15.816   4.055
   27    HB3  SER   4           HB1      SER   4  -9.380  16.934   5.212
   28    H    GLY   5           HN       GLY   5  -4.946  16.648   5.297
   29    HA2  GLY   5           HA2      GLY   5  -3.162  15.284   4.747
   30    HA3  GLY   5           HA1      GLY   5  -4.238  13.897   4.844
   31    H    PHE   6           HN       PHE   6  -4.719  12.923   3.012
   32    HA   PHE   6           HA       PHE   6  -3.983  14.222   0.518
   33    HD1  PHE   6           HD1      PHE   6  -1.968  12.935  -0.691
   34    HD2  PHE   6           HD2      PHE   6  -3.242  10.582   2.618
   35    HE1  PHE   6           HE1      PHE   6   0.379  12.430  -0.149
   36    HE2  PHE   6           HE2      PHE   6  -0.899  10.078   3.168
   37    HZ   PHE   6           HZ       PHE   6   0.915  11.022   1.800
   38    HB2  PHE   6           HB2      PHE   6  -4.818  11.374   1.101
   39    HB3  PHE   6           HB1      PHE   6  -4.324  11.974  -0.477
   40    H    LYS   7           HN       LYS   7  -5.459  15.392  -0.455
   41    HA   LYS   7           HA       LYS   7  -8.284  15.032   0.011
   42    HB2  LYS   7           HB2      LYS   7  -8.496  17.010  -1.484
   43    HB3  LYS   7           HB1      LYS   7  -7.396  17.277  -0.139
   44    HG2  LYS   7           HG2      LYS   7  -5.518  16.700  -1.744
   45    HG3  LYS   7           HG1      LYS   7  -6.719  16.827  -3.031
   46    HD2  LYS   7           HD2      LYS   7  -5.643  18.942  -2.891
   47    HD3  LYS   7           HD1      LYS   7  -7.239  19.136  -2.163
   48    HE2  LYS   7           HE2      LYS   7  -6.256  18.910   0.064
   49    HE3  LYS   7           HE1      LYS   7  -4.663  18.686  -0.655
   50    HZ1  LYS   7           HZ1      LYS   7  -4.804  20.925   0.015
   51    HZ2  LYS   7           HZ2      LYS   7  -6.336  21.130  -0.681
   52    HZ3  LYS   7           HZ3      LYS   7  -4.971  20.942  -1.673
   53    H    HIS   8           HN       HIS   8  -7.630  12.721  -0.981
   54    HA   HIS   8           HA       HIS   8  -7.780  11.182  -2.635
   55    HD1  HIS   8           HD1      HIS   8 -11.054  12.373  -5.811
   56    HD2  HIS   8           HD2      HIS   8  -8.625   9.420  -4.178
   57    HE1  HIS   8           HE1      HIS   8 -11.181  10.429  -7.407
   58    HE2  HIS   8           HE2      HIS   8  -9.506   8.768  -6.524
   59    HB2  HIS   8           HB2      HIS   8 -10.121  11.976  -2.676
   60    HB3  HIS   8           HB1      HIS   8  -9.681  13.200  -3.862
   61    H    VAL   9           HN       VAL   9  -5.511  12.548  -2.800
   62    HA   VAL   9           HA       VAL   9  -5.175  13.134  -5.653
   63    HB   VAL   9           HB       VAL   9  -4.328  14.890  -4.176
   64   HG11  VAL   9          HG11      VAL   9  -3.862  13.563  -2.191
   65   HG12  VAL   9          HG12      VAL   9  -2.449  14.507  -2.661
   66   HG13  VAL   9          HG13      VAL   9  -2.514  12.779  -3.016
   67   HG21  VAL   9          HG21      VAL   9  -2.120  13.339  -5.517
   68   HG22  VAL   9          HG22      VAL   9  -2.034  15.032  -5.029
   69   HG23  VAL   9          HG23      VAL   9  -3.179  14.530  -6.275
   70    H    SER  10           HN       SER  10  -4.112  11.731  -6.916
   71    HA   SER  10           HA       SER  10  -3.624   9.125  -5.844
   72    HG   SER  10           HG       SER  10  -5.247   8.578  -8.400
   73    HB2  SER  10           HB2      SER  10  -3.118  10.183  -8.628
   74    HB3  SER  10           HB1      SER  10  -3.172   8.484  -8.147
   75    H    HIS  11           HN       HIS  11  -1.753  11.756  -5.669
   76    HA   HIS  11           HA       HIS  11   0.808  10.703  -6.275
   77    HD1  HIS  11           HD1      HIS  11   2.612  13.129  -3.192
   78    HD2  HIS  11           HD2      HIS  11   2.594  12.537  -7.314
   79    HE1  HIS  11           HE1      HIS  11   4.982  13.499  -3.947
   80    HE2  HIS  11           HE2      HIS  11   4.971  13.043  -6.427
   81    HB2  HIS  11           HB2      HIS  11   0.107  13.163  -5.741
   82    HB3  HIS  11           HB1      HIS  11   0.332  12.683  -4.062
   83    H    VAL  12           HN       VAL  12  -1.220  10.798  -3.401
   84    HA   VAL  12           HA       VAL  12  -1.185   9.679  -1.416
   85    HB   VAL  12           HB       VAL  12  -2.300   8.220  -3.039
   86   HG11  VAL  12          HG11      VAL  12  -0.528   7.693  -4.556
   87   HG12  VAL  12          HG12      VAL  12  -1.171   6.195  -3.879
   88   HG13  VAL  12          HG13      VAL  12   0.362   6.843  -3.292
   89   HG21  VAL  12          HG21      VAL  12  -2.373   7.559  -0.735
   90   HG22  VAL  12          HG22      VAL  12  -0.803   6.766  -0.869
   91   HG23  VAL  12          HG23      VAL  12  -2.194   6.119  -1.740
   92    H    GLY  13           HN       GLY  13   1.445  10.706  -1.901
   93    HA2  GLY  13           HA2      GLY  13   3.575  10.551  -1.063
   94    HA3  GLY  13           HA1      GLY  13   2.885   9.461   0.130
   95    H    TRP  14           HN       TRP  14   2.738   8.698  -3.252
   96    HA   TRP  14           HA       TRP  14   4.644   6.500  -2.785
   97    HD1  TRP  14           HD1      TRP  14   4.209   3.532  -3.413
   98    HE1  TRP  14           HE1      TRP  14   4.613   2.131  -5.537
   99    HE3  TRP  14           HE3      TRP  14   2.081   6.660  -6.851
  100    HZ2  TRP  14           HZ2      TRP  14   4.082   2.334  -8.313
  101    HZ3  TRP  14           HZ3      TRP  14   2.070   5.986  -9.217
  102    HH2  TRP  14           HH2      TRP  14   3.051   3.869  -9.930
  103    HB2  TRP  14           HB2      TRP  14   2.437   5.589  -2.987
  104    HB3  TRP  14           HB1      TRP  14   2.078   6.598  -4.382
  105    H    ASP  15           HN       ASP  15   6.230   6.169  -4.240
  106    HA   ASP  15           HA       ASP  15   6.134   7.717  -6.745
  107    HB2  ASP  15           HB2      ASP  15   7.909   8.275  -4.820
  108    HB3  ASP  15           HB1      ASP  15   8.778   6.956  -5.602
  109    HA   PRO  16           HA       PRO  16   5.745   4.010  -8.907
  110    HB2  PRO  16           HB2      PRO  16   7.778   4.501 -10.839
  111    HB3  PRO  16           HB1      PRO  16   6.041   4.762 -10.993
  112    HG2  PRO  16           HG2      PRO  16   8.189   6.684 -10.319
  113    HG3  PRO  16           HG1      PRO  16   6.634   6.964 -11.121
  114    HD2  PRO  16           HD2      PRO  16   7.062   7.748  -8.597
  115    HD3  PRO  16           HD1      PRO  16   5.483   7.107  -9.105
  116    H    GLN  17           HN       GLN  17   9.160   4.830  -8.232
  117    HA   GLN  17           HA       GLN  17   9.808   1.975  -8.540
  118    HB2  GLN  17           HB2      GLN  17  11.741   4.278  -8.358
  119    HB3  GLN  17           HB1      GLN  17  12.075   2.634  -8.875
  120    HG2  GLN  17           HG2      GLN  17  10.754   2.932 -10.866
  121    HG3  GLN  17           HG1      GLN  17  10.266   4.541 -10.333
  122   HE21  GLN  17          HE21      GLN  17  11.636   3.732 -12.756
  123   HE22  GLN  17          HE22      GLN  17  13.131   4.603 -12.788
  124    H    ASN  18           HN       ASN  18  10.236   4.704  -6.308
  125    HA   ASN  18           HA       ASN  18  11.590   3.006  -4.390
  126    HB2  ASN  18           HB2      ASN  18  10.881   5.930  -4.365
  127    HB3  ASN  18           HB1      ASN  18  11.603   5.110  -2.985
  128   HD21  ASN  18          HD21      ASN  18  13.231   3.341  -4.660
  129   HD22  ASN  18          HD22      ASN  18  14.508   4.335  -5.276
  130    H    GLY  19           HN       GLY  19   8.387   3.704  -5.082
  131    HA2  GLY  19           HA2      GLY  19   6.556   2.721  -4.077
  132    HA3  GLY  19           HA1      GLY  19   7.594   2.206  -2.756
  133    H    PHE  20           HN       PHE  20   5.999   2.798  -1.286
  134    HA   PHE  20           HA       PHE  20   5.082   5.521  -1.083
  135    HD1  PHE  20           HD1      PHE  20   3.973   1.750  -1.073
  136    HD2  PHE  20           HD2      PHE  20   2.105   5.433  -0.019
  137    HE1  PHE  20           HE1      PHE  20   1.975   1.104  -2.346
  138    HE2  PHE  20           HE2      PHE  20   0.108   4.785  -1.290
  139    HZ   PHE  20           HZ       PHE  20   0.026   2.590  -2.419
  140    HB2  PHE  20           HB2      PHE  20   4.806   3.152   0.780
  141    HB3  PHE  20           HB1      PHE  20   4.095   4.728   1.095
  142    H    ASP  21           HN       ASP  21   6.006   7.127   0.044
  143    HA   ASP  21           HA       ASP  21   8.464   6.674   1.468
  144    HB2  ASP  21           HB2      ASP  21   6.739   9.114   1.046
  145    HB3  ASP  21           HB1      ASP  21   8.121   9.142   2.137
  146    H    VAL  22           HN       VAL  22   7.837   5.196   3.048
  147    HA   VAL  22           HA       VAL  22   5.626   5.303   4.725
  148    HB   VAL  22           HB       VAL  22   6.946   3.856   6.269
  149   HG11  VAL  22          HG11      VAL  22   7.155   3.145   3.343
  150   HG12  VAL  22          HG12      VAL  22   5.723   2.940   4.350
  151   HG13  VAL  22          HG13      VAL  22   7.180   2.007   4.690
  152   HG21  VAL  22          HG21      VAL  22   9.185   4.204   4.272
  153   HG22  VAL  22          HG22      VAL  22   9.199   3.183   5.713
  154   HG23  VAL  22          HG23      VAL  22   9.152   4.940   5.877
  155    H    ASN  23           HN       ASN  23   8.581   7.175   4.934
  156    HA   ASN  23           HA       ASN  23   8.193   7.881   7.708
  157    HB2  ASN  23           HB2      ASN  23  10.138   9.302   7.458
  158    HB3  ASN  23           HB1      ASN  23  10.464   7.744   6.709
  159   HD21  ASN  23          HD21      ASN  23  11.719  10.329   6.260
  160   HD22  ASN  23          HD22      ASN  23  11.529  10.676   4.571
  161    H    ASN  24           HN       ASN  24   6.870   8.869   4.794
  162    HA   ASN  24           HA       ASN  24   5.763  11.289   6.070
  163    HB2  ASN  24           HB2      ASN  24   6.602  10.873   3.195
  164    HB3  ASN  24           HB1      ASN  24   5.489  12.147   3.673
  165   HD21  ASN  24          HD21      ASN  24   8.762  10.994   3.812
  166   HD22  ASN  24          HD22      ASN  24   9.467  12.471   4.363
  167    H    LEU  25           HN       LEU  25   4.965   8.430   5.885
  168    HA   LEU  25           HA       LEU  25   2.842   8.375   3.917
  169    HG   LEU  25           HG       LEU  25   2.439   5.761   6.100
  170    HB2  LEU  25           HB2      LEU  25   3.959   6.440   3.645
  171    HB3  LEU  25           HB1      LEU  25   4.677   6.532   5.238
  172   HD11  LEU  25          HD11      LEU  25   2.192   4.968   3.213
  173   HD12  LEU  25          HD12      LEU  25   1.166   6.137   4.047
  174   HD13  LEU  25          HD13      LEU  25   1.117   4.432   4.503
  175   HD21  LEU  25          HD21      LEU  25   4.370   4.341   6.157
  176   HD22  LEU  25          HD22      LEU  25   4.176   3.954   4.447
  177   HD23  LEU  25          HD23      LEU  25   2.984   3.391   5.619
  178    H    ASP  26           HN       ASP  26   0.747   8.293   4.437
  179    HA   ASP  26           HA       ASP  26  -0.164   9.355   6.854
  180    HB2  ASP  26           HB2      ASP  26  -1.408   9.531   4.755
  181    HB3  ASP  26           HB1      ASP  26  -1.679   7.791   4.750
  182    HA   PRO  27           HA       PRO  27   0.075   6.008   9.703
  183    HB2  PRO  27           HB2      PRO  27  -2.224   7.426  10.952
  184    HB3  PRO  27           HB1      PRO  27  -0.683   6.928  11.660
  185    HG2  PRO  27           HG2      PRO  27  -1.142   9.477  11.065
  186    HG3  PRO  27           HG1      PRO  27   0.454   8.752  10.794
  187    HD2  PRO  27           HD2      PRO  27  -1.689   9.405   8.820
  188    HD3  PRO  27           HD1      PRO  27   0.073   9.528   8.656
  189    H    ASP  28           HN       ASP  28  -3.023   6.901   8.244
  190    HA   ASP  28           HA       ASP  28  -4.388   4.571   9.260
  191    HB2  ASP  28           HB2      ASP  28  -5.486   6.794   8.627
  192    HB3  ASP  28           HB1      ASP  28  -5.286   6.301   6.949
  193    H    LEU  29           HN       LEU  29  -3.064   5.602   6.119
  194    HA   LEU  29           HA       LEU  29  -3.406   3.174   4.747
  195    HG   LEU  29           HG       LEU  29  -3.325   6.180   3.972
  196    HB2  LEU  29           HB2      LEU  29  -1.141   5.169   4.561
  197    HB3  LEU  29           HB1      LEU  29  -1.443   3.890   3.404
  198   HD11  LEU  29          HD11      LEU  29  -2.610   6.953   1.727
  199   HD12  LEU  29          HD12      LEU  29  -1.355   5.708   1.739
  200   HD13  LEU  29          HD13      LEU  29  -1.329   7.003   2.937
  201   HD21  LEU  29          HD21      LEU  29  -4.498   4.194   3.204
  202   HD22  LEU  29          HD22      LEU  29  -3.368   4.021   1.862
  203   HD23  LEU  29          HD23      LEU  29  -4.456   5.408   1.924
  204    H    ARG  30           HN       ARG  30  -0.839   4.348   6.844
  205    HA   ARG  30           HA       ARG  30   0.974   2.260   6.678
  206    HE   ARG  30           HE       ARG  30   4.990   3.145   8.918
  207    HB2  ARG  30           HB2      ARG  30   1.118   4.525   7.847
  208    HB3  ARG  30           HB1      ARG  30   0.394   3.717   9.228
  209    HG2  ARG  30           HG2      ARG  30   2.264   2.437   9.623
  210    HG3  ARG  30           HG1      ARG  30   2.828   2.560   7.951
  211    HD2  ARG  30           HD2      ARG  30   3.190   4.980   8.330
  212    HD3  ARG  30           HD1      ARG  30   2.819   4.735  10.034
  213   HH11  ARG  30          HH11      ARG  30   3.981   5.907  10.812
  214   HH12  ARG  30          HH12      ARG  30   5.557   6.172  11.494
  215   HH21  ARG  30          HH21      ARG  30   7.088   3.513   9.791
  216   HH22  ARG  30          HH22      ARG  30   7.315   4.832  10.918
  217    H    SER  31           HN       SER  31  -1.805   2.674   8.837
  218    HA   SER  31           HA       SER  31  -1.605   0.296  10.301
  219    HG   SER  31           HG       SER  31  -5.037   0.626  11.146
  220    HB2  SER  31           HB2      SER  31  -3.208   2.258  10.697
  221    HB3  SER  31           HB1      SER  31  -4.202   1.581   9.421
  222    H    LEU  32           HN       LEU  32  -3.359   1.047   7.338
  223    HA   LEU  32           HA       LEU  32  -4.663  -1.389   6.994
  224    HG   LEU  32           HG       LEU  32  -6.264   0.038   4.192
  225    HB2  LEU  32           HB2      LEU  32  -5.029   0.872   5.868
  226    HB3  LEU  32           HB1      LEU  32  -3.738   0.420   4.779
  227   HD11  LEU  32          HD11      LEU  32  -5.624  -1.661   2.618
  228   HD12  LEU  32          HD12      LEU  32  -4.171  -2.016   3.559
  229   HD13  LEU  32          HD13      LEU  32  -4.340  -0.454   2.754
  230   HD21  LEU  32          HD21      LEU  32  -5.526  -2.534   5.559
  231   HD22  LEU  32          HD22      LEU  32  -7.012  -2.214   4.663
  232   HD23  LEU  32          HD23      LEU  32  -6.688  -1.358   6.171
  233    H    PHE  33           HN       PHE  33  -1.760  -0.188   5.384
  234    HA   PHE  33           HA       PHE  33  -1.212  -2.498   3.907
  235    HD1  PHE  33           HD2      PHE  33  -1.902  -1.196   2.530
  236    HD2  PHE  33           HD1      PHE  33   1.210   1.510   3.633
  237    HE1  PHE  33           HE2      PHE  33  -2.829   0.500   1.012
  238    HE2  PHE  33           HE1      PHE  33   0.276   3.202   2.112
  239    HZ   PHE  33           HZ       PHE  33  -1.740   2.695   0.797
  240    HB2  PHE  33           HB2      PHE  33   0.794  -0.478   4.923
  241    HB3  PHE  33           HB1      PHE  33   1.017  -1.581   3.569
  242    H    SER  34           HN       SER  34  -0.033  -1.499   7.093
  243    HA   SER  34           HA       SER  34   1.656  -3.712   7.526
  244    HG   SER  34           HG       SER  34   1.650  -4.124   9.947
  245    HB2  SER  34           HB2      SER  34   1.869  -1.695   8.830
  246    HB3  SER  34           HB1      SER  34   0.241  -1.890   9.476
  247    H    ARG  35           HN       ARG  35  -1.770  -3.171   8.095
  248    HA   ARG  35           HA       ARG  35  -2.324  -5.539   9.525
  249    HE   ARG  35           HE       ARG  35  -5.978  -3.763  11.997
  250    HB2  ARG  35           HB2      ARG  35  -3.861  -3.494   8.062
  251    HB3  ARG  35           HB1      ARG  35  -4.630  -5.071   8.169
  252    HG2  ARG  35           HG2      ARG  35  -4.615  -5.010  10.532
  253    HG3  ARG  35           HG1      ARG  35  -3.579  -3.582  10.559
  254    HD2  ARG  35           HD2      ARG  35  -5.288  -2.177   9.863
  255    HD3  ARG  35           HD1      ARG  35  -6.224  -3.496   9.167
  256   HH11  ARG  35          HH11      ARG  35  -7.676  -1.937   9.537
  257   HH12  ARG  35          HH12      ARG  35  -9.143  -1.816  10.448
  258   HH21  ARG  35          HH21      ARG  35  -7.899  -3.560  13.226
  259   HH22  ARG  35          HH22      ARG  35  -9.264  -2.719  12.558
  260    H    ALA  36           HN       ALA  36  -1.783  -4.882   6.170
  261    HA   ALA  36           HA       ALA  36  -2.928  -7.420   5.323
  262    HB1  ALA  36           HB1      ALA  36  -2.554  -6.630   3.061
  263    HB2  ALA  36           HB2      ALA  36  -1.654  -5.239   3.671
  264    HB3  ALA  36           HB3      ALA  36  -3.377  -5.394   4.010
  265    H    GLY  37           HN       GLY  37  -0.173  -6.734   6.790
  266    HA2  GLY  37           HA2      GLY  37   1.561  -8.298   7.080
  267    HA3  GLY  37           HA1      GLY  37   1.149  -9.007   5.528
  268    H    ILE  38           HN       ILE  38   1.162  -6.010   4.612
  269    HA   ILE  38           HA       ILE  38   3.745  -6.097   3.446
  270    HB   ILE  38           HB       ILE  38   1.967  -3.671   3.616
  271   HG12  ILE  38          HG12      ILE  38   1.759  -5.683   1.410
  272   HG13  ILE  38          HG11      ILE  38   0.867  -5.945   2.904
  273   HG21  ILE  38          HG21      ILE  38   3.901  -4.656   1.518
  274   HG22  ILE  38          HG22      ILE  38   4.178  -3.333   2.651
  275   HG23  ILE  38          HG23      ILE  38   2.931  -3.185   1.413
  276   HD11  ILE  38          HD11      ILE  38  -0.510  -4.874   1.239
  277   HD12  ILE  38          HD12      ILE  38   0.654  -3.558   1.101
  278   HD13  ILE  38          HD13      ILE  38  -0.234  -3.794   2.606
  279    H    SER  39           HN       SER  39   5.537  -5.742   4.585
  280    HA   SER  39           HA       SER  39   5.645  -4.101   6.909
  281    HG   SER  39           HG       SER  39   8.968  -5.058   7.373
  282    HB2  SER  39           HB2      SER  39   7.133  -6.035   6.625
  283    HB3  SER  39           HB1      SER  39   7.875  -5.254   5.237
  284    H    GLU  40           HN       GLU  40   7.245  -2.254   7.066
  285    HA   GLU  40           HA       GLU  40   6.513  -0.209   5.300
  286    HB2  GLU  40           HB2      GLU  40   8.874  -0.373   7.173
  287    HB3  GLU  40           HB1      GLU  40   8.313   1.100   6.392
  288    HG2  GLU  40           HG2      GLU  40   6.188   0.930   7.543
  289    HG3  GLU  40           HG1      GLU  40   6.695  -0.583   8.290
  290    H    ALA  41           HN       ALA  41   9.412  -2.233   5.412
  291    HA   ALA  41           HA       ALA  41  10.779  -0.991   3.278
  292    HB1  ALA  41           HB1      ALA  41  11.889  -2.503   4.848
  293    HB2  ALA  41           HB2      ALA  41  12.110  -3.044   3.183
  294    HB3  ALA  41           HB3      ALA  41  10.941  -3.852   4.225
  295    H    GLN  42           HN       GLN  42   8.201  -3.323   3.402
  296    HA   GLN  42           HA       GLN  42   8.479  -4.147   0.668
  297    HB2  GLN  42           HB2      GLN  42   7.356  -5.381   2.706
  298    HB3  GLN  42           HB1      GLN  42   5.931  -4.485   2.193
  299    HG2  GLN  42           HG2      GLN  42   5.878  -6.635   1.176
  300    HG3  GLN  42           HG1      GLN  42   6.220  -5.440  -0.077
  301   HE21  GLN  42          HE21      GLN  42   7.443  -8.082   1.764
  302   HE22  GLN  42          HE22      GLN  42   8.867  -8.346   0.833
  303    H    LEU  43           HN       LEU  43   6.900  -1.592   2.387
  304    HA   LEU  43           HA       LEU  43   5.105  -0.852   0.295
  305    HG   LEU  43           HG       LEU  43   4.606  -1.052   3.264
  306    HB2  LEU  43           HB2      LEU  43   6.218   0.711   2.621
  307    HB3  LEU  43           HB1      LEU  43   5.039   1.351   1.492
  308   HD11  LEU  43          HD11      LEU  43   3.088   0.388   4.503
  309   HD12  LEU  43          HD12      LEU  43   3.512   1.750   3.465
  310   HD13  LEU  43          HD13      LEU  43   4.727   1.040   4.530
  311   HD21  LEU  43          HD21      LEU  43   3.366  -1.183   1.182
  312   HD22  LEU  43          HD22      LEU  43   2.753   0.453   1.425
  313   HD23  LEU  43          HD23      LEU  43   2.276  -0.841   2.525
  314    H    THR  44           HN       THR  44   8.468  -0.488   0.799
  315    HA   THR  44           HA       THR  44   8.628   1.594  -1.249
  316    HB   THR  44           HB       THR  44  11.068   1.636  -0.727
  317    HG1  THR  44           HG1      THR  44  10.440  -0.630   0.592
  318   HG21  THR  44          HG21      THR  44   9.252   1.998   1.663
  319   HG22  THR  44          HG22      THR  44   9.536   3.188   0.394
  320   HG23  THR  44          HG23      THR  44  10.852   2.713   1.467
  321    H    ASP  45           HN       ASP  45   8.312  -1.630  -1.164
  322    HA   ASP  45           HA       ASP  45  10.224  -2.473  -3.104
  323    HB2  ASP  45           HB2      ASP  45   9.077  -4.073  -1.620
  324    HB3  ASP  45           HB1      ASP  45   7.551  -3.685  -2.391
  325    H    ALA  46           HN       ALA  46  10.047  -2.640  -5.312
  326    HA   ALA  46           HA       ALA  46   8.645  -0.605  -6.600
  327    HB1  ALA  46           HB1      ALA  46   9.456  -1.498  -8.657
  328    HB2  ALA  46           HB2      ALA  46   9.716  -3.085  -7.929
  329    HB3  ALA  46           HB3      ALA  46  10.711  -1.714  -7.436
  330    H    GLU  47           HN       GLU  47   8.028  -4.128  -6.978
  331    HA   GLU  47           HA       GLU  47   5.622  -3.635  -8.419
  332    HB2  GLU  47           HB2      GLU  47   5.232  -6.096  -8.190
  333    HB3  GLU  47           HB1      GLU  47   6.765  -5.661  -8.922
  334    HG2  GLU  47           HG2      GLU  47   6.727  -6.150  -5.998
  335    HG3  GLU  47           HG1      GLU  47   6.554  -7.536  -7.070
  336    H    THR  48           HN       THR  48   6.295  -4.638  -5.084
  337    HA   THR  48           HA       THR  48   3.706  -5.115  -4.254
  338    HB   THR  48           HB       THR  48   5.892  -3.826  -2.601
  339    HG1  THR  48           HG1      THR  48   6.703  -5.722  -3.416
  340   HG21  THR  48          HG21      THR  48   3.486  -5.479  -1.808
  341   HG22  THR  48          HG22      THR  48   3.688  -3.748  -1.533
  342   HG23  THR  48          HG23      THR  48   4.745  -4.900  -0.713
  343    H    SER  49           HN       SER  49   5.440  -1.973  -4.045
  344    HA   SER  49           HA       SER  49   3.238  -0.634  -2.869
  345    HG   SER  49           HG       SER  49   6.525  -0.049  -4.561
  346    HB2  SER  49           HB2      SER  49   4.501   1.421  -3.297
  347    HB3  SER  49           HB1      SER  49   5.555   0.163  -2.650
  348    H    LYS  50           HN       LYS  50   4.390  -0.893  -6.197
  349    HA   LYS  50           HA       LYS  50   2.735   0.993  -7.401
  350    HB2  LYS  50           HB2      LYS  50   4.606  -0.099  -8.557
  351    HB3  LYS  50           HB1      LYS  50   3.741  -1.627  -8.533
  352    HG2  LYS  50           HG2      LYS  50   1.972  -0.585  -9.929
  353    HG3  LYS  50           HG1      LYS  50   2.969   0.866 -10.032
  354    HD2  LYS  50           HD2      LYS  50   4.742  -0.394 -11.112
  355    HD3  LYS  50           HD1      LYS  50   3.811  -1.882 -10.945
  356    HE2  LYS  50           HE2      LYS  50   2.046  -0.901 -12.358
  357    HE3  LYS  50           HE1      LYS  50   3.046   0.533 -12.571
  358    HZ1  LYS  50           HZ1      LYS  50   3.790  -2.219 -13.400
  359    HZ2  LYS  50           HZ2      LYS  50   4.734  -0.830 -13.630
  360    HZ3  LYS  50           HZ3      LYS  50   3.250  -0.994 -14.439
  361    H    LEU  51           HN       LEU  51   2.153  -2.417  -6.676
  362    HA   LEU  51           HA       LEU  51  -0.429  -2.356  -7.943
  363    HG   LEU  51           HG       LEU  51   1.968  -3.978  -8.552
  364    HB2  LEU  51           HB2      LEU  51   0.940  -4.485  -6.313
  365    HB3  LEU  51           HB1      LEU  51  -0.600  -4.690  -7.134
  366   HD11  LEU  51          HD11      LEU  51   2.020  -6.208  -7.449
  367   HD12  LEU  51          HD12      LEU  51   2.148  -6.254  -9.208
  368   HD13  LEU  51          HD13      LEU  51   0.621  -6.661  -8.425
  369   HD21  LEU  51          HD21      LEU  51  -0.728  -4.895  -9.550
  370   HD22  LEU  51          HD22      LEU  51   0.705  -4.653 -10.550
  371   HD23  LEU  51          HD23      LEU  51  -0.038  -3.280  -9.727
  372    H    ILE  52           HN       ILE  52   0.810  -2.039  -4.648
  373    HA   ILE  52           HA       ILE  52  -1.684  -2.070  -3.355
  374    HB   ILE  52           HB       ILE  52   0.790  -0.461  -2.755
  375   HG12  ILE  52          HG12      ILE  52  -0.400  -2.963  -1.551
  376   HG13  ILE  52          HG11      ILE  52   1.069  -2.863  -2.515
  377   HG21  ILE  52          HG21      ILE  52  -1.115   0.729  -1.876
  378   HG22  ILE  52          HG22      ILE  52  -0.229  -0.032  -0.550
  379   HG23  ILE  52          HG23      ILE  52  -1.734  -0.749  -1.133
  380   HD11  ILE  52          HD11      ILE  52   0.588  -1.917   0.276
  381   HD12  ILE  52          HD12      ILE  52   1.934  -1.306  -0.689
  382   HD13  ILE  52          HD13      ILE  52   1.819  -3.029  -0.327
  383    H    TYR  53           HN       TYR  53   0.068   0.580  -4.947
  384    HA   TYR  53           HA       TYR  53  -1.854   2.570  -4.496
  385    HD1  TYR  53           HD2      TYR  53  -1.900   4.932  -5.260
  386    HD2  TYR  53           HD1      TYR  53  -0.077   3.189  -8.682
  387    HE1  TYR  53           HE2      TYR  53  -2.799   6.747  -6.647
  388    HE2  TYR  53           HE1      TYR  53  -0.971   5.010 -10.088
  389    HH   TYR  53           HH       TYR  53  -2.407   7.840  -8.710
  390    HB2  TYR  53           HB2      TYR  53   0.253   3.305  -5.256
  391    HB3  TYR  53           HB1      TYR  53   0.239   2.204  -6.632
  392    H    ASP  54           HN       ASP  54  -1.427   0.357  -7.231
  393    HA   ASP  54           HA       ASP  54  -3.672   1.060  -8.726
  394    HB2  ASP  54           HB2      ASP  54  -2.040  -0.438  -9.646
  395    HB3  ASP  54           HB1      ASP  54  -2.280  -1.598  -8.344
  396    H    PHE  55           HN       PHE  55  -3.338  -1.092  -5.976
  397    HA   PHE  55           HA       PHE  55  -5.923  -2.128  -5.820
  398    HD1  PHE  55           HD1      PHE  55  -6.483  -4.060  -3.848
  399    HD2  PHE  55           HD2      PHE  55  -4.789  -0.746  -1.770
  400    HE1  PHE  55           HE1      PHE  55  -7.962  -4.495  -1.944
  401    HE2  PHE  55           HE2      PHE  55  -6.279  -1.189   0.136
  402    HZ   PHE  55           HZ       PHE  55  -7.865  -3.072   0.047
  403    HB2  PHE  55           HB2      PHE  55  -4.262  -3.086  -4.447
  404    HB3  PHE  55           HB1      PHE  55  -3.807  -1.530  -3.767
  405    H    ILE  56           HN       ILE  56  -4.547   0.801  -4.400
  406    HA   ILE  56           HA       ILE  56  -6.846   1.571  -2.971
  407    HB   ILE  56           HB       ILE  56  -4.553   3.258  -3.991
  408   HG12  ILE  56          HG12      ILE  56  -5.043   1.968  -1.297
  409   HG13  ILE  56          HG11      ILE  56  -3.941   1.350  -2.519
  410   HG21  ILE  56          HG21      ILE  56  -5.188   4.855  -2.257
  411   HG22  ILE  56          HG22      ILE  56  -6.573   3.851  -1.827
  412   HG23  ILE  56          HG23      ILE  56  -6.505   4.628  -3.410
  413   HD11  ILE  56          HD11      ILE  56  -2.606   3.383  -2.324
  414   HD12  ILE  56          HD12      ILE  56  -2.749   2.524  -0.790
  415   HD13  ILE  56          HD13      ILE  56  -3.710   3.974  -1.082
  416    H    GLU  57           HN       GLU  57  -5.679   2.340  -6.215
  417    HA   GLU  57           HA       GLU  57  -7.772   4.123  -6.904
  418    HB2  GLU  57           HB2      GLU  57  -5.647   3.916  -8.179
  419    HB3  GLU  57           HB1      GLU  57  -6.150   2.321  -8.720
  420    HG2  GLU  57           HG2      GLU  57  -8.057   3.299  -9.876
  421    HG3  GLU  57           HG1      GLU  57  -7.578   4.902  -9.322
  422    H    ASP  58           HN       ASP  58  -7.392   0.637  -7.085
  423    HA   ASP  58           HA       ASP  58  -9.643  -0.059  -8.585
  424    HB2  ASP  58           HB2      ASP  58  -7.959  -1.695  -8.090
  425    HB3  ASP  58           HB1      ASP  58  -8.190  -1.498  -6.361
  426    H    GLN  59           HN       GLN  59  -9.332   0.802  -5.212
  427    HA   GLN  59           HA       GLN  59 -11.993  -0.025  -4.498
  428    HB2  GLN  59           HB2      GLN  59  -9.995   1.709  -3.035
  429    HB3  GLN  59           HB1      GLN  59 -11.498   1.103  -2.348
  430    HG2  GLN  59           HG2      GLN  59  -9.220  -0.591  -3.352
  431    HG3  GLN  59           HG1      GLN  59  -9.570  -0.226  -1.661
  432   HE21  GLN  59          HE21      GLN  59  -9.518  -2.762  -3.242
  433   HE22  GLN  59          HE22      GLN  59 -11.052  -3.501  -2.923
  434    H    GLY  60           HN       GLY  60 -10.624   2.747  -5.951
  435    HA2  GLY  60           HA2      GLY  60 -12.234   4.340  -6.907
  436    HA3  GLY  60           HA1      GLY  60 -13.090   4.269  -5.374
  437    H    GLY  61           HN       GLY  61  -9.807   4.170  -4.810
  438    HA2  GLY  61           HA2      GLY  61  -8.283   6.088  -4.971
  439    HA3  GLY  61           HA1      GLY  61  -9.665   7.109  -4.600
  440    H    LEU  62           HN       LEU  62  -8.100   7.868  -2.944
  441    HA   LEU  62           HA       LEU  62  -7.233   6.108  -0.891
  442    HG   LEU  62           HG       LEU  62  -4.935   7.087  -0.991
  443    HB2  LEU  62           HB2      LEU  62  -7.185   9.088  -1.236
  444    HB3  LEU  62           HB1      LEU  62  -6.662   8.343   0.259
  445   HD11  LEU  62          HD11      LEU  62  -5.786   8.768  -3.342
  446   HD12  LEU  62          HD12      LEU  62  -6.048   7.031  -3.175
  447   HD13  LEU  62          HD13      LEU  62  -4.405   7.670  -3.282
  448   HD21  LEU  62          HD21      LEU  62  -4.414   9.220   0.070
  449   HD22  LEU  62          HD22      LEU  62  -4.856  10.065  -1.414
  450   HD23  LEU  62          HD23      LEU  62  -3.468   8.976  -1.398
  451    H    GLU  63           HN       GLU  63  -9.963   8.265  -1.277
  452    HA   GLU  63           HA       GLU  63 -10.676   8.371   1.477
  453    HB2  GLU  63           HB2      GLU  63 -12.355   8.890  -0.984
  454    HB3  GLU  63           HB1      GLU  63 -12.801   9.318   0.661
  455    HG2  GLU  63           HG2      GLU  63 -10.353  10.366  -0.733
  456    HG3  GLU  63           HG1      GLU  63 -11.910  11.191  -0.720
  457    H    ALA  64           HN       ALA  64 -11.323   6.187  -1.137
  458    HA   ALA  64           HA       ALA  64 -13.563   4.874   0.005
  459    HB1  ALA  64           HB1      ALA  64 -11.576   3.856  -2.020
  460    HB2  ALA  64           HB2      ALA  64 -13.057   4.743  -2.375
  461    HB3  ALA  64           HB3      ALA  64 -13.144   3.136  -1.658
  462    H    VAL  65           HN       VAL  65 -10.106   4.037  -0.132
  463    HA   VAL  65           HA       VAL  65 -10.249   1.671   1.361
  464    HB   VAL  65           HB       VAL  65  -7.921   3.600   1.248
  465   HG11  VAL  65          HG11      VAL  65  -7.718   1.899   3.001
  466   HG12  VAL  65          HG12      VAL  65  -6.543   1.645   1.713
  467   HG13  VAL  65          HG13      VAL  65  -7.985   0.635   1.801
  468   HG21  VAL  65          HG21      VAL  65  -8.604   1.292  -0.570
  469   HG22  VAL  65          HG22      VAL  65  -7.122   2.244  -0.629
  470   HG23  VAL  65          HG23      VAL  65  -8.670   3.003  -0.992
  471    H    ARG  66           HN       ARG  66  -9.890   5.028   2.335
  472    HA   ARG  66           HA       ARG  66  -9.423   4.704   5.068
  473    HE   ARG  66           HE       ARG  66  -7.047   8.856   5.058
  474    HB2  ARG  66           HB2      ARG  66 -10.704   6.851   3.416
  475    HB3  ARG  66           HB1      ARG  66 -10.742   6.964   5.169
  476    HG2  ARG  66           HG2      ARG  66  -8.351   7.011   5.282
  477    HG3  ARG  66           HG1      ARG  66  -8.219   6.676   3.553
  478    HD2  ARG  66           HD2      ARG  66  -8.913   8.793   2.955
  479    HD3  ARG  66           HD1      ARG  66  -9.773   9.052   4.470
  480   HH11  ARG  66          HH11      ARG  66  -9.168  10.970   3.224
  481   HH12  ARG  66          HH12      ARG  66  -8.278  12.410   3.630
  482   HH21  ARG  66          HH21      ARG  66  -5.875  10.738   5.570
  483   HH22  ARG  66          HH22      ARG  66  -6.407  12.283   4.966
  484    H    GLN  67           HN       GLN  67 -12.368   4.395   3.204
  485    HA   GLN  67           HA       GLN  67 -14.041   4.411   5.576
  486    HB2  GLN  67           HB2      GLN  67 -14.716   4.010   2.665
  487    HB3  GLN  67           HB1      GLN  67 -15.895   4.032   3.969
  488    HG2  GLN  67           HG2      GLN  67 -15.290   6.316   4.511
  489    HG3  GLN  67           HG1      GLN  67 -14.063   6.307   3.247
  490   HE21  GLN  67          HE21      GLN  67 -17.163   4.775   2.875
  491   HE22  GLN  67          HE22      GLN  67 -17.795   5.883   1.711
  492    H    GLU  68           HN       GLU  68 -12.611   2.086   3.391
  493    HA   GLU  68           HA       GLU  68 -14.225  -0.130   4.037
  494    HB2  GLU  68           HB2      GLU  68 -11.291  -0.306   3.397
  495    HB3  GLU  68           HB1      GLU  68 -12.535  -1.508   3.102
  496    HG2  GLU  68           HG2      GLU  68 -12.210   1.119   1.708
  497    HG3  GLU  68           HG1      GLU  68 -11.852  -0.473   1.053
  498    H    MET  69           HN       MET  69 -11.776   1.502   5.801
  499    HA   MET  69           HA       MET  69 -10.778  -0.434   7.518
  500    HB2  MET  69           HB2      MET  69 -11.262   2.503   7.771
  501    HB3  MET  69           HB1      MET  69 -10.765   1.596   9.190
  502    HG2  MET  69           HG2      MET  69  -9.242   1.543   6.605
  503    HG3  MET  69           HG1      MET  69  -8.939   2.727   7.875
  504    HE1  MET  69           HE1      MET  69  -6.453   0.983   6.969
  505    HE2  MET  69           HE2      MET  69  -5.832   0.653   8.595
  506    HE3  MET  69           HE3      MET  69  -6.549   2.221   8.224
  507    H    ARG  70           HN       ARG  70 -13.950   0.910   7.377
  508    HA   ARG  70           HA       ARG  70 -14.698  -0.817   9.618
  509    HE   ARG  70           HE       ARG  70 -16.754   3.087  11.341
  510    HB2  ARG  70           HB2      ARG  70 -16.223   0.871  10.459
  511    HB3  ARG  70           HB1      ARG  70 -14.590   1.514  10.378
  512    HG2  ARG  70           HG2      ARG  70 -15.454   2.359   8.013
  513    HG3  ARG  70           HG1      ARG  70 -17.003   2.287   8.858
  514    HD2  ARG  70           HD2      ARG  70 -14.547   3.856   9.612
  515    HD3  ARG  70           HD1      ARG  70 -16.134   4.481   9.165
  516   HH11  ARG  70          HH11      ARG  70 -14.081   5.287  10.771
  517   HH12  ARG  70          HH12      ARG  70 -13.985   5.799  12.429
  518   HH21  ARG  70          HH21      ARG  70 -16.609   3.737  13.516
  519   HH22  ARG  70          HH22      ARG  70 -15.420   4.910  13.996
  520    H    ARG  71           HN       ARG  71 -14.750  -0.957   6.631
  521    HA   ARG  71           HA       ARG  71 -17.661  -1.219   6.230
  522    HE   ARG  71           HE       ARG  71 -19.130  -0.890   1.396
  523    HB2  ARG  71           HB2      ARG  71 -16.667   0.497   4.805
  524    HB3  ARG  71           HB1      ARG  71 -15.544  -0.692   4.155
  525    HG2  ARG  71           HG2      ARG  71 -17.391  -1.956   3.219
  526    HG3  ARG  71           HG1      ARG  71 -18.536  -0.808   3.918
  527    HD2  ARG  71           HD2      ARG  71 -17.688   0.962   2.542
  528    HD3  ARG  71           HD1      ARG  71 -16.375  -0.060   1.958
  529   HH11  ARG  71          HH11      ARG  71 -16.086   0.434   0.288
  530   HH12  ARG  71          HH12      ARG  71 -16.443   0.171  -1.392
  531   HH21  ARG  71          HH21      ARG  71 -19.606  -1.232  -0.823
  532   HH22  ARG  71          HH22      ARG  71 -18.450  -0.750  -2.027
  533    H    GLN  72           HN       GLN  72 -14.881  -2.474   4.418
  534    HA   GLN  72           HA       GLN  72 -15.469  -5.201   5.096
  535    HB2  GLN  72           HB2      GLN  72 -16.020  -5.917   2.804
  536    HB3  GLN  72           HB1      GLN  72 -17.235  -4.819   3.445
  537    HG2  GLN  72           HG2      GLN  72 -16.506  -3.046   2.094
  538    HG3  GLN  72           HG1      GLN  72 -14.995  -3.861   1.696
  539   HE21  GLN  72          HE21      GLN  72 -14.991  -5.488   0.177
  540   HE22  GLN  72          HE22      GLN  72 -16.302  -5.740  -0.922
  541    H1   GLY  73           HT1      GLY  73 -13.825 -12.370   7.335
  542    H2   GLY  73           HT2      GLY  73 -15.025 -12.673   6.179
  543    H3   GLY  73           HT3      GLY  73 -14.949 -11.163   6.948
  544    HA2  GLY  73           HA1      GLY  73 -14.081 -11.014   4.711
  545    HA3  GLY  73           HA2      GLY  73 -12.833 -10.696   5.908
  546    H    HIS  74           HN       HIS  74 -11.057 -11.347   4.771
  547    HA   HIS  74           HA       HIS  74 -11.027 -14.131   3.834
  548    HD1  HIS  74           HD1      HIS  74 -11.616 -14.004   1.522
  549    HD2  HIS  74           HD2      HIS  74  -9.591 -10.371   1.237
  550    HE1  HIS  74           HE1      HIS  74 -12.630 -12.810  -0.447
  551    HE2  HIS  74           HE2      HIS  74 -11.552 -10.531  -0.440
  552    HB2  HIS  74           HB2      HIS  74  -8.993 -11.935   3.353
  553    HB3  HIS  74           HB1      HIS  74  -8.899 -13.570   2.710
  554    H    MET  75           HN       MET  75  -8.034 -12.628   4.700
  555    HA   MET  75           HA       MET  75  -7.936 -14.210   7.165
  556    HB2  MET  75           HB2      MET  75  -5.749 -12.867   5.566
  557    HB3  MET  75           HB1      MET  75  -5.478 -13.628   7.129
  558    HG2  MET  75           HG2      MET  75  -6.262 -15.766   6.198
  559    HG3  MET  75           HG1      MET  75  -6.459 -14.990   4.629
  560    HE1  MET  75           HE1      MET  75  -4.464 -14.136   3.128
  561    HE2  MET  75           HE2      MET  75  -2.781 -14.123   3.653
  562    HE3  MET  75           HE3      MET  75  -3.959 -13.076   4.444
  563    H    LEU  76           HN       LEU  76  -8.497 -11.142   6.027
  564    HA   LEU  76           HA       LEU  76  -8.243 -10.009   8.729
  565    HG   LEU  76           HG       LEU  76  -5.784  -7.597   7.407
  566    HB2  LEU  76           HB2      LEU  76  -7.418  -8.872   6.099
  567    HB3  LEU  76           HB1      LEU  76  -8.185  -7.779   7.231
  568   HD11  LEU  76          HD11      LEU  76  -7.068  -7.282   9.436
  569   HD12  LEU  76          HD12      LEU  76  -5.503  -8.015   9.796
  570   HD13  LEU  76          HD13      LEU  76  -6.962  -9.007   9.788
  571   HD21  LEU  76          HD21      LEU  76  -5.151  -9.804   6.611
  572   HD22  LEU  76          HD22      LEU  76  -5.793 -10.530   8.084
  573   HD23  LEU  76          HD23      LEU  76  -4.396  -9.456   8.167
  574    HA   PRO  77           HA       PRO  77 -12.517  -9.016   7.947
  575    HB2  PRO  77           HB2      PRO  77 -12.921  -7.568  10.241
  576    HB3  PRO  77           HB1      PRO  77 -12.845  -9.327  10.181
  577    HG2  PRO  77           HG2      PRO  77 -10.972  -7.485  11.374
  578    HG3  PRO  77           HG1      PRO  77 -10.969  -9.254  11.428
  579    HD2  PRO  77           HD2      PRO  77  -9.416  -7.432   9.716
  580    HD3  PRO  77           HD1      PRO  77  -9.135  -9.145  10.096
  581    H    ASP  78           HN       ASP  78 -10.144  -6.957   7.383
  582    HA   ASP  78           HA       ASP  78 -11.896  -4.631   7.003
  583    HB2  ASP  78           HB2      ASP  78  -8.920  -4.575   7.533
  584    HB3  ASP  78           HB1      ASP  78  -9.970  -3.179   7.346
  585    H    VAL  79           HN       VAL  79 -10.477  -3.099   5.388
  586    HA   VAL  79           HA       VAL  79 -10.544  -4.345   2.879
  587    HB   VAL  79           HB       VAL  79 -10.879  -2.012   2.922
  588   HG11  VAL  79          HG11      VAL  79  -9.055  -0.421   3.583
  589   HG12  VAL  79          HG12      VAL  79  -8.230  -1.806   4.304
  590   HG13  VAL  79          HG13      VAL  79  -9.819  -1.319   4.896
  591   HG21  VAL  79          HG21      VAL  79  -9.260  -1.114   1.350
  592   HG22  VAL  79          HG22      VAL  79  -9.703  -2.770   0.930
  593   HG23  VAL  79          HG23      VAL  79  -8.157  -2.441   1.717
  594    H    ALA  80           HN       ALA  80  -8.133  -4.364   5.277
  595    HA   ALA  80           HA       ALA  80  -5.765  -4.722   3.883
  596    HB1  ALA  80           HB1      ALA  80  -5.784  -4.551   6.269
  597    HB2  ALA  80           HB2      ALA  80  -5.049  -6.088   5.822
  598    HB3  ALA  80           HB3      ALA  80  -6.711  -6.044   6.420
  599    H    GLN  81           HN       GLN  81  -8.478  -6.868   4.270
  600    HA   GLN  81           HA       GLN  81  -7.152  -9.273   3.499
  601    HB2  GLN  81           HB2      GLN  81  -9.345 -10.246   3.435
  602    HB3  GLN  81           HB1      GLN  81  -9.328  -9.113   4.782
  603    HG2  GLN  81           HG2      GLN  81 -10.431  -7.438   3.354
  604    HG3  GLN  81           HG1      GLN  81 -10.500  -8.622   2.051
  605   HE21  GLN  81          HE21      GLN  81 -11.829  -7.572   5.038
  606   HE22  GLN  81          HE22      GLN  81 -13.195  -8.638   5.046
  607    H    ARG  82           HN       ARG  82  -8.827  -6.723   1.816
  608    HA   ARG  82           HA       ARG  82  -9.088  -8.138  -0.648
  609    HE   ARG  82           HE       ARG  82 -10.323  -4.874  -4.194
  610    HB2  ARG  82           HB2      ARG  82 -10.763  -6.561  -0.204
  611    HB3  ARG  82           HB1      ARG  82  -9.608  -5.344   0.313
  612    HG2  ARG  82           HG2      ARG  82 -10.464  -4.655  -1.765
  613    HG3  ARG  82           HG1      ARG  82  -8.818  -5.229  -2.020
  614    HD2  ARG  82           HD2      ARG  82  -9.677  -7.351  -2.861
  615    HD3  ARG  82           HD1      ARG  82 -11.329  -6.790  -2.591
  616   HH11  ARG  82          HH11      ARG  82 -10.362  -8.368  -4.452
  617   HH12  ARG  82          HH12      ARG  82 -10.344  -8.357  -6.195
  618   HH21  ARG  82          HH21      ARG  82 -10.299  -4.840  -6.455
  619   HH22  ARG  82          HH22      ARG  82 -10.325  -6.348  -7.333
  620    H    LEU  83           HN       LEU  83  -6.699  -6.320   0.936
  621    HA   LEU  83           HA       LEU  83  -5.293  -5.547  -1.454
  622    HG   LEU  83           HG       LEU  83  -2.456  -5.245   0.287
  623    HB2  LEU  83           HB2      LEU  83  -5.233  -4.118   0.519
  624    HB3  LEU  83           HB1      LEU  83  -4.509  -5.412   1.454
  625   HD11  LEU  83          HD11      LEU  83  -3.310  -4.965  -1.977
  626   HD12  LEU  83          HD12      LEU  83  -2.091  -3.747  -1.604
  627   HD13  LEU  83          HD13      LEU  83  -3.802  -3.315  -1.594
  628   HD21  LEU  83          HD21      LEU  83  -2.540  -3.591   1.943
  629   HD22  LEU  83          HD22      LEU  83  -3.637  -2.585   0.998
  630   HD23  LEU  83          HD23      LEU  83  -1.953  -2.757   0.503
  631    H    MET  84           HN       MET  84  -4.947  -7.998   1.103
  632    HA   MET  84           HA       MET  84  -2.476  -9.030   0.234
  633    HB2  MET  84           HB2      MET  84  -4.760 -10.334   1.710
  634    HB3  MET  84           HB1      MET  84  -3.220 -11.132   1.419
  635    HG2  MET  84           HG2      MET  84  -2.065  -9.440   2.693
  636    HG3  MET  84           HG1      MET  84  -3.566  -8.546   2.915
  637    HE1  MET  84           HE1      MET  84  -5.632  -9.470   4.319
  638    HE2  MET  84           HE2      MET  84  -5.648 -11.057   5.090
  639    HE3  MET  84           HE3      MET  84  -5.605 -10.933   3.332
  640    H    GLN  85           HN       GLN  85  -5.788  -9.811  -0.689
  641    HA   GLN  85           HA       GLN  85  -5.165 -11.979  -2.388
  642    HB2  GLN  85           HB2      GLN  85  -7.516 -10.073  -2.449
  643    HB3  GLN  85           HB1      GLN  85  -7.411 -11.566  -3.372
  644    HG2  GLN  85           HG2      GLN  85  -7.376 -11.361  -0.372
  645    HG3  GLN  85           HG1      GLN  85  -8.766 -11.817  -1.356
  646   HE21  GLN  85          HE21      GLN  85  -8.790 -13.835  -2.355
  647   HE22  GLN  85          HE22      GLN  85  -7.720 -15.105  -1.877
  648    H    HIS  86           HN       HIS  86  -5.481  -8.515  -2.927
  649    HA   HIS  86           HA       HIS  86  -5.389  -8.603  -5.749
  650    HD1  HIS  86           HD1      HIS  86  -6.605  -6.795  -7.173
  651    HD2  HIS  86           HD2      HIS  86  -3.605  -4.396  -5.543
  652    HE1  HIS  86           HE1      HIS  86  -6.061  -5.085  -8.935
  653    HE2  HIS  86           HE2      HIS  86  -4.310  -3.597  -7.916
  654    HB2  HIS  86           HB2      HIS  86  -6.285  -6.721  -4.375
  655    HB3  HIS  86           HB1      HIS  86  -4.632  -6.309  -3.935
  656    H    LEU  87           HN       LEU  87  -2.902  -8.394  -3.285
  657    HA   LEU  87           HA       LEU  87  -0.796  -7.798  -5.143
  658    HG   LEU  87           HG       LEU  87  -1.712  -6.537  -2.494
  659    HB2  LEU  87           HB2      LEU  87  -0.691  -8.801  -2.297
  660    HB3  LEU  87           HB1      LEU  87   0.687  -8.225  -3.218
  661   HD11  LEU  87          HD11      LEU  87  -0.212  -5.452  -0.895
  662   HD12  LEU  87          HD12      LEU  87   1.045  -6.631  -1.283
  663   HD13  LEU  87          HD13      LEU  87  -0.453  -7.159  -0.516
  664   HD21  LEU  87          HD21      LEU  87  -0.468  -5.920  -4.576
  665   HD22  LEU  87          HD22      LEU  87   0.970  -5.694  -3.575
  666   HD23  LEU  87          HD23      LEU  87  -0.454  -4.686  -3.313
  667    H    ALA  88           HN       ALA  88  -2.025 -10.670  -3.528
  668    HA   ALA  88           HA       ALA  88  -0.052 -12.489  -4.353
  669    HB1  ALA  88           HB1      ALA  88  -2.964 -13.001  -3.764
  670    HB2  ALA  88           HB2      ALA  88  -1.645 -13.004  -2.593
  671    HB3  ALA  88           HB3      ALA  88  -1.703 -14.230  -3.860
  672    H    GLU  89           HN       GLU  89  -2.408 -10.887  -6.180
  673    HA   GLU  89           HA       GLU  89  -2.859 -12.854  -8.185
  674    HB2  GLU  89           HB2      GLU  89  -3.231  -9.864  -8.220
  675    HB3  GLU  89           HB1      GLU  89  -3.749 -10.955  -9.496
  676    HG2  GLU  89           HG2      GLU  89  -4.697 -11.167  -6.655
  677    HG3  GLU  89           HG1      GLU  89  -5.539 -10.252  -7.905
  678    H    HIS  90           HN       HIS  90  -0.185 -10.789  -7.550
  679    HA   HIS  90           HA       HIS  90   0.707 -11.137 -10.340
  680    HD1  HIS  90           HD1      HIS  90   0.068  -9.046 -12.260
  681    HD2  HIS  90           HD2      HIS  90  -1.422  -7.676  -8.626
  682    HE1  HIS  90           HE1      HIS  90  -2.081  -7.860 -12.809
  683    HE2  HIS  90           HE2      HIS  90  -2.809  -6.818 -10.633
  684    HB2  HIS  90           HB2      HIS  90   1.118  -8.679  -8.643
  685    HB3  HIS  90           HB1      HIS  90   1.816  -8.940 -10.236
  686    H    GLY  91           HN       GLY  91   1.614 -11.193  -6.973
  687    HA2  GLY  91           HA2      GLY  91   3.347 -12.778  -6.377
  688    HA3  GLY  91           HA1      GLY  91   4.198 -12.322  -7.842
  689    H    ILE  92           HN       ILE  92   2.781 -10.297  -5.298
  690    HA   ILE  92           HA       ILE  92   5.023  -8.635  -4.973
  691    HB   ILE  92           HB       ILE  92   2.523  -9.184  -3.440
  692   HG12  ILE  92          HG12      ILE  92   2.345  -6.679  -3.753
  693   HG13  ILE  92          HG11      ILE  92   3.814  -6.794  -4.710
  694   HG21  ILE  92          HG21      ILE  92   3.132  -7.571  -1.695
  695   HG22  ILE  92          HG22      ILE  92   4.779  -7.526  -2.323
  696   HG23  ILE  92          HG23      ILE  92   4.137  -9.019  -1.637
  697   HD11  ILE  92          HD11      ILE  92   1.864  -6.737  -6.125
  698   HD12  ILE  92          HD12      ILE  92   1.222  -8.168  -5.316
  699   HD13  ILE  92          HD13      ILE  92   2.704  -8.281  -6.266
  700    H    GLN  93           HN       GLN  93   6.653  -8.614  -3.436
  701    HA   GLN  93           HA       GLN  93   7.623 -11.123  -2.524
  702    HB2  GLN  93           HB2      GLN  93   8.415  -8.308  -1.753
  703    HB3  GLN  93           HB1      GLN  93   9.290  -9.753  -1.270
  704    HG2  GLN  93           HG2      GLN  93   8.861  -8.853  -4.110
  705    HG3  GLN  93           HG1      GLN  93  10.328  -8.596  -3.165
  706   HE21  GLN  93          HE21      GLN  93   8.417 -10.870  -4.927
  707   HE22  GLN  93          HE22      GLN  93   9.576 -12.154  -4.931
  708    HA   PRO  94           HA       PRO  94   5.199 -11.461   1.239
  709    HB2  PRO  94           HB2      PRO  94   7.298 -13.411   1.970
  710    HB3  PRO  94           HB1      PRO  94   5.550 -13.636   1.848
  711    HG2  PRO  94           HG2      PRO  94   7.225 -14.667   0.022
  712    HG3  PRO  94           HG1      PRO  94   5.621 -14.051  -0.419
  713    HD2  PRO  94           HD2      PRO  94   8.305 -12.784  -0.786
  714    HD3  PRO  94           HD1      PRO  94   6.892 -12.774  -1.861
  715    H    ALA  95           HN       ALA  95   5.351 -10.283   3.049
  716    HA   ALA  95           HA       ALA  95   8.017  -9.293   3.792
  717    HB1  ALA  95           HB1      ALA  95   6.583  -7.535   2.976
  718    HB2  ALA  95           HB2      ALA  95   6.859  -7.319   4.704
  719    HB3  ALA  95           HB3      ALA  95   5.329  -7.984   4.131
  720    H    ARG  96           HN       ARG  96   5.833 -11.478   4.813
  721    HA   ARG  96           HA       ARG  96   5.830 -10.973   7.614
  722    HE   ARG  96           HE       ARG  96   4.359 -13.867  10.803
  723    HB2  ARG  96           HB2      ARG  96   4.219 -12.511   6.519
  724    HB3  ARG  96           HB1      ARG  96   5.539 -13.633   6.209
  725    HG2  ARG  96           HG2      ARG  96   4.239 -14.271   8.175
  726    HG3  ARG  96           HG1      ARG  96   5.913 -13.894   8.583
  727    HD2  ARG  96           HD2      ARG  96   5.101 -11.558   9.142
  728    HD3  ARG  96           HD1      ARG  96   3.467 -12.212   9.047
  729   HH11  ARG  96          HH11      ARG  96   5.375 -10.526  10.508
  730   HH12  ARG  96          HH12      ARG  96   5.741 -10.352  12.201
  731   HH21  ARG  96          HH21      ARG  96   4.838 -13.652  13.021
  732   HH22  ARG  96          HH22      ARG  96   5.435 -12.138  13.635
  733    H    ASN  97           HN       ASN  97   8.027 -12.528   5.409
  734    HA   ASN  97           HA       ASN  97   9.799 -13.305   7.592
  735    HB2  ASN  97           HB2      ASN  97  11.196 -14.330   5.852
  736    HB3  ASN  97           HB1      ASN  97   9.535 -14.894   5.731
  737   HD21  ASN  97          HD21      ASN  97   8.310 -14.342   3.949
  738   HD22  ASN  97          HD22      ASN  97   9.000 -13.623   2.533
  739    H    MET  98           HN       MET  98  12.293 -12.811   6.625
  740    HA   MET  98           HA       MET  98  12.550 -10.046   7.189
  741    HB2  MET  98           HB2      MET  98  14.273 -11.718   7.772
  742    HB3  MET  98           HB1      MET  98  14.619 -11.932   6.063
  743    HG2  MET  98           HG2      MET  98  15.260  -9.547   5.935
  744    HG3  MET  98           HG1      MET  98  15.013  -9.423   7.675
  745    HE1  MET  98           HE1      MET  98  17.218 -10.922   4.795
  746    HE2  MET  98           HE2      MET  98  16.514 -12.356   5.542
  747    HE3  MET  98           HE3      MET  98  18.244 -12.047   5.685
  748    H    ALA  99           HN       ALA  99  13.734 -11.728   4.336
  749    HA   ALA  99           HA       ALA  99  13.988 -11.147   2.166
  750    HB1  ALA  99           HB1      ALA  99  11.545 -11.072   2.191
  751    HB2  ALA  99           HB2      ALA  99  12.222  -9.877   1.084
  752    HB3  ALA  99           HB3      ALA  99  11.601  -9.371   2.655
  753    H    GLU 100           HN       GLU 100  12.797  -8.001   3.261
  754    HA   GLU 100           HA       GLU 100  13.615  -5.901   3.087
  755    HB2  GLU 100           HB2      GLU 100  16.255  -7.306   3.502
  756    HB3  GLU 100           HB1      GLU 100  16.040  -5.563   3.551
  757    HG2  GLU 100           HG2      GLU 100  14.389  -5.938   5.412
  758    HG3  GLU 100           HG1      GLU 100  14.932  -7.617   5.438
  759    H    HIS 101           HN       HIS 101  15.497  -4.589   1.922
  760    HA   HIS 101           HA       HIS 101  16.024  -5.715  -0.733
  761    HD1  HIS 101           HD1      HIS 101  12.664  -2.873   0.268
  762    HD2  HIS 101           HD2      HIS 101  13.634  -5.813  -2.510
  763    HE1  HIS 101           HE1      HIS 101  10.475  -3.891  -0.430
  764    HE2  HIS 101           HE2      HIS 101  11.071  -5.461  -2.313
  765    HB2  HIS 101           HB2      HIS 101  15.052  -2.886  -0.246
  766    HB3  HIS 101           HB1      HIS 101  15.489  -3.576  -1.801
  767    H    ILE 102           HN       ILE 102  18.185  -5.785  -0.821
  768    HA   ILE 102           HA       ILE 102  19.870  -4.115   0.757
  769    HB   ILE 102           HB       ILE 102  20.579  -5.799  -1.653
  770   HG12  ILE 102          HG12      ILE 102  19.593  -7.134   0.150
  771   HG13  ILE 102          HG11      ILE 102  21.313  -7.475   0.000
  772   HG21  ILE 102          HG21      ILE 102  22.326  -4.558   0.468
  773   HG22  ILE 102          HG22      ILE 102  22.287  -4.146  -1.246
  774   HG23  ILE 102          HG23      ILE 102  22.876  -5.727  -0.733
  775   HD11  ILE 102          HD11      ILE 102  20.659  -7.343   2.326
  776   HD12  ILE 102          HD12      ILE 102  20.027  -5.715   2.075
  777   HD13  ILE 102          HD13      ILE 102  21.756  -6.023   1.919
  778    HA   PRO 103           HA       PRO 103  19.292  -0.629  -1.963
  779    HB2  PRO 103           HB2      PRO 103  20.820   1.121  -0.545
  780    HB3  PRO 103           HB1      PRO 103  19.173   0.681  -0.078
  781    HG2  PRO 103           HG2      PRO 103  21.782  -0.333   0.974
  782    HG3  PRO 103           HG1      PRO 103  20.303   0.084   1.860
  783    HD2  PRO 103           HD2      PRO 103  20.989  -2.471   1.276
  784    HD3  PRO 103           HD1      PRO 103  19.302  -1.935   1.390
  785    HA   PRO 104           HA       PRO 104  22.960  -0.923  -4.481
  786    HB2  PRO 104           HB2      PRO 104  22.013   1.595  -5.691
  787    HB3  PRO 104           HB1      PRO 104  22.274   0.018  -6.443
  788    HG2  PRO 104           HG2      PRO 104  19.804   0.985  -6.026
  789    HG3  PRO 104           HG1      PRO 104  20.166  -0.745  -5.898
  790    HD2  PRO 104           HD2      PRO 104  19.797   1.280  -3.725
  791    HD3  PRO 104           HD1      PRO 104  19.242  -0.406  -3.802
  792    H    ALA 105           HN       ALA 105  24.819  -0.404  -3.555
  793    HA   ALA 105           HA       ALA 105  25.264   1.950  -2.030
  794    HB1  ALA 105           HB1      ALA 105  27.249  -0.004  -3.193
  795    HB2  ALA 105           HB2      ALA 105  26.488  -0.117  -1.606
  796    HB3  ALA 105           HB3      ALA 105  27.596   1.207  -1.959
  797    HA   PRO 106           HA       PRO 106  25.745   4.913  -5.281
  798    HB2  PRO 106           HB2      PRO 106  27.628   6.125  -3.305
  799    HB3  PRO 106           HB1      PRO 106  26.297   6.871  -4.198
  800    HG2  PRO 106           HG2      PRO 106  26.015   6.251  -1.631
  801    HG3  PRO 106           HG1      PRO 106  24.683   6.007  -2.776
  802    HD2  PRO 106           HD2      PRO 106  26.508   4.002  -1.537
  803    HD3  PRO 106           HD1      PRO 106  24.794   3.853  -1.973
  804    H    ASN 107           HN       ASN 107  26.903   4.356  -6.993
  805    HA   ASN 107           HA       ASN 107  29.512   3.185  -6.794
  806    HB2  ASN 107           HB2      ASN 107  27.719   3.949  -9.076
  807    HB3  ASN 107           HB1      ASN 107  29.392   3.501  -9.382
  808   HD21  ASN 107          HD21      ASN 107  27.471   2.082  -6.822
  809   HD22  ASN 107          HD22      ASN 107  27.367   0.502  -7.530
  810    H    TRP 108           HN       TRP 108  31.485   3.998  -7.464
  811    HA   TRP 108           HA       TRP 108  31.640   6.922  -7.652
  812    HD1  TRP 108           HD1      TRP 108  32.758   8.104  -5.347
  813    HE1  TRP 108           HE1      TRP 108  32.453   7.557  -2.851
  814    HE3  TRP 108           HE3      TRP 108  33.555   3.053  -5.521
  815    HZ2  TRP 108           HZ2      TRP 108  32.546   5.286  -1.176
  816    HZ3  TRP 108           HZ3      TRP 108  33.431   1.770  -3.423
  817    HH2  TRP 108           HH2      TRP 108  32.937   2.863  -1.301
  818    HB2  TRP 108           HB2      TRP 108  33.783   4.837  -7.174
  819    HB3  TRP 108           HB1      TRP 108  34.090   6.565  -7.305