*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   30-NOV-00   1GH9              
*TITLE     SOLUTION STRUCTURE OF A 8.3 KDA PROTEIN (GENE MTH1184) FROM           
*TITLE    2 METHANOBACTERIUM THERMOAUTOTROPHICUM                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 8.3 KDA PROTEIN (GENE MTH1184);                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: METHANOBACTERIUM THERMOAUTOTROPHICUM;           
*SOURCE   3 ORGANISM_COMMON: ARCHAEBACTERIA;                                     
*SOURCE   4 GENE: MTH1184;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    BETA+ALPHA COMPLEX STRUCTURE                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.KOZLOV, I.EKIEL, K.GEHRING                                          
*REVDAT   1   11-DEC-00 1GH9    0                                                


assign (resid 1 and name HA) (resid 1 and name HB2)   2.400 0.700 0.700
assign (resid 1 and name HA) (resid 2 and name HN)   2.200 0.600 0.600
assign (resid 1 and name HB2) (resid 2 and name HN)   2.600 0.800 0.800
assign (resid 1 and name HB2) (resid 3 and name HG2#)   2.100 2.100 3.400
assign (resid 1 and name HB2) (resid 41 and name HB#)   2.500 2.500 3.000
assign (resid 1 and name HB2) (resid 42 and name HA)   2.200 0.600 0.600
assign (resid 2 and name HA) (resid 15 and name HN)   3.500 1.500 1.500
assign (resid 2 and name HA) (resid 16 and name HA)   2.200 0.600 0.600
assign (resid 2 and name HA) (resid 16 and name HN)   4.200 2.200 1.300
assign (resid 2 and name HA) (resid 17 and name HN)   2.800 1.000 1.000
assign (resid 2 and name HA) (resid 2 and name HB2)   2.300 0.700 0.700
assign (resid 2 and name HA) (resid 2 and name HN)   2.700 0.900 0.900
assign (resid 2 and name HA) (resid 3 and name HG2#)   3.100 1.200 1.200
assign (resid 2 and name HA) (resid 3 and name HN)   2.100 0.600 0.600
assign (resid 2 and name HB1) (resid 15 and name HN)   4.000 2.000 1.500
assign (resid 2 and name HB1) (resid 2 and name HN)   2.800 1.000 1.000
assign (resid 2 and name HB1) (resid 3 and name HN)   3.200 1.300 1.300
assign (resid 2 and name HB1) (resid 4 and name HD1#)   2.900 1.100 1.100
assign (resid 2 and name HB1) (resid 41 and name HB#)   2.700 0.900 0.900
assign (resid 2 and name HB1) (resid 41 and name HN)   3.600 1.600 1.600
assign (resid 2 and name HB1) (resid 47 and name HB#)   2.600 0.800 0.800
assign (resid 2 and name HB2) (resid 2 and name HN)   2.600 0.800 0.800
assign (resid 2 and name HB2) (resid 3 and name HN)   3.300 1.400 1.400
assign (resid 2 and name HB2) (resid 41 and name HN)   3.200 1.300 1.300
assign (resid 2 and name HB2) (resid 47 and name HB#)   2.600 0.800 0.800
assign (resid 2 and name HD#) (resid 15 and name HN)   3.100 1.200 1.200
assign (resid 2 and name HD#) (resid 16 and name HN)   3.800 1.800 1.700
assign (resid 2 and name HD#) (resid 2 and name HN)   2.900 1.100 1.100
assign (resid 2 and name HD#) (resid 3 and name HN)   3.500 1.500 1.500
assign (resid 2 and name HD#) (resid 47 and name HB#)   3.200 1.400 0.800
assign (resid 2 and name HE#) (resid 47 and name HB#)   3.200 1.400 0.800
assign (resid 2 and name HN) (resid 41 and name HB#)   3.600 1.600 1.600
assign (resid 2 and name HN) (resid 42 and name HA)   3.200 1.300 1.300
assign (resid 3 and name HA) (resid 3 and name HG2#)   2.100 0.600 0.600
assign (resid 3 and name HA) (resid 3 and name HN)   3.000 1.100 1.100
assign (resid 3 and name HA) (resid 37 and name HD1#)   4.000 2.200 1.000
assign (resid 3 and name HA) (resid 37 and name HG11)   3.000 3.000 2.500
assign (resid 3 and name HA) (resid 37 and name HG2#)   3.000 1.100 1.100
assign (resid 3 and name HA) (resid 4 and name HD1#)   2.500 2.500 3.000
assign (resid 3 and name HA) (resid 4 and name HN)   2.000 0.500 0.500
assign (resid 3 and name HA) (resid 40 and name HA)   2.200 0.400 0.800
assign (resid 3 and name HA) (resid 40 and name HB2)   2.800 2.800 2.700
assign (resid 3 and name HA) (resid 41 and name HN)   3.000 1.100 1.100
assign (resid 3 and name HB) (resid 15 and name HN)   3.400 1.400 1.400
assign (resid 3 and name HB) (resid 3 and name HD1#)   2.400 0.700 0.700
assign (resid 3 and name HB) (resid 3 and name HG2#)   2.400 0.700 0.700
assign (resid 3 and name HB) (resid 3 and name HN)   2.800 1.000 1.000
assign (resid 3 and name HB) (resid 40 and name HA)   4.000 2.200 1.000
assign (resid 3 and name HB) (resid 5 and name HD#)   3.000 1.100 1.100
assign (resid 3 and name HD1#) (resid 15 and name HN)   3.200 1.300 1.300
assign (resid 3 and name HD1#) (resid 17 and name HA)   2.300 0.700 0.700
assign (resid 3 and name HD1#) (resid 18 and name HN)   3.400 1.400 1.400
assign (resid 3 and name HD1#) (resid 3 and name HG2#)   2.000 0.500 0.500
assign (resid 3 and name HD1#) (resid 3 and name HN)   3.100 1.200 1.200
assign (resid 3 and name HD1#) (resid 32 and name HB)   2.500 2.500 3.000
assign (resid 3 and name HD1#) (resid 32 and name HG1#)   3.200 1.400 0.800
assign (resid 3 and name HD1#) (resid 32 and name HG2#)   2.200 2.200 3.300
assign (resid 3 and name HD1#) (resid 37 and name HG12)   2.100 2.100 3.400
assign (resid 3 and name HD1#) (resid 4 and name HA)   3.200 1.300 1.300
assign (resid 3 and name HG2#) (resid 16 and name HB1)   3.100 3.100 2.400
assign (resid 3 and name HG2#) (resid 17 and name HA)   2.000 0.500 0.500
assign (resid 3 and name HG2#) (resid 17 and name HG1)   3.000 1.100 1.100
assign (resid 3 and name HG2#) (resid 17 and name HN)   3.800 1.800 1.700
assign (resid 3 and name HG2#) (resid 19 and name HB#)   3.400 1.400 1.400
assign (resid 3 and name HG2#) (resid 3 and name HN)   2.500 0.800 0.800
assign (resid 3 and name HG2#) (resid 32 and name HG2#)   4.000 2.000 1.500
assign (resid 3 and name HG2#) (resid 37 and name HG11)   2.500 0.800 0.800
assign (resid 3 and name HG2#) (resid 40 and name HA)   4.000 2.200 1.000
assign (resid 3 and name HG2#) (resid 40 and name HD1)   3.500 1.500 1.500
assign (resid 3 and name HG2#) (resid 41 and name HN)   3.900 1.900 1.600
assign (resid 3 and name HN) (resid 14 and name HB2)   3.900 1.900 1.600
assign (resid 3 and name HN) (resid 16 and name HA)   3.200 1.300 1.300
assign (resid 4 and name HA) (resid 14 and name HA)   2.200 0.400 0.800
assign (resid 4 and name HA) (resid 15 and name HN)   3.200 1.300 1.300
assign (resid 4 and name HA) (resid 4 and name HB)   4.000 2.000 1.500
assign (resid 4 and name HA) (resid 4 and name HD1#)   2.700 0.900 0.900
assign (resid 4 and name HA) (resid 4 and name HN)   2.800 1.000 1.000
assign (resid 4 and name HA) (resid 41 and name HB#)   2.500 2.500 3.000
assign (resid 4 and name HA) (resid 5 and name HD#)   2.700 0.900 0.900
assign (resid 4 and name HA) (resid 5 and name HN)   2.000 0.500 0.500
assign (resid 4 and name HA) (resid 51 and name HG1#)   3.400 1.400 1.400
assign (resid 4 and name HB) (resid 39 and name HA1)   3.200 1.300 1.300
assign (resid 4 and name HB) (resid 39 and name HA2)   3.600 1.600 1.600
assign (resid 4 and name HB) (resid 39 and name HN)   2.900 2.900 2.600
assign (resid 4 and name HB) (resid 4 and name HD1#)   2.300 0.700 0.700
assign (resid 4 and name HB) (resid 4 and name HG2#)   2.200 0.600 0.600
assign (resid 4 and name HB) (resid 4 and name HN)   2.700 0.900 0.900
assign (resid 4 and name HB) (resid 41 and name HB#)   2.400 2.400 3.100
assign (resid 4 and name HD1#) (resid 14 and name HA)   2.800 1.000 1.000
assign (resid 4 and name HD1#) (resid 14 and name HB1)   3.000 1.100 1.100
assign (resid 4 and name HD1#) (resid 14 and name HB2)   3.500 1.500 1.500
assign (resid 4 and name HD1#) (resid 15 and name HN)   3.600 1.600 1.600
assign (resid 4 and name HD1#) (resid 39 and name HA2)   3.300 1.400 1.400
assign (resid 4 and name HD1#) (resid 39 and name HN)   4.000 2.200 1.000
assign (resid 4 and name HD1#) (resid 4 and name HN)   3.000 1.100 1.100
assign (resid 4 and name HD1#) (resid 40 and name HA)   2.800 1.000 1.000
assign (resid 4 and name HD1#) (resid 40 and name HN)   3.200 1.300 1.300
assign (resid 4 and name HD1#) (resid 41 and name HB#)   2.000 0.500 0.500
assign (resid 4 and name HD1#) (resid 41 and name HN)   3.000 1.100 1.100
assign (resid 4 and name HD1#) (resid 47 and name HA)   2.300 0.700 0.700
assign (resid 4 and name HD1#) (resid 47 and name HB#)   2.700 0.900 0.900
assign (resid 4 and name HD1#) (resid 50 and name HB1)   3.400 1.400 1.400
assign (resid 4 and name HD1#) (resid 54 and name HD2#)   3.100 1.200 1.200
assign (resid 4 and name HG2#) (resid 12 and name HB#)   2.500 0.800 0.800
assign (resid 4 and name HG2#) (resid 13 and name HA)   2.400 2.400 3.100
assign (resid 4 and name HG2#) (resid 13 and name HN)   2.500 0.800 0.800
assign (resid 4 and name HG2#) (resid 14 and name HB1)   2.400 2.400 3.100
assign (resid 4 and name HG2#) (resid 38 and name HB2)   3.100 1.200 1.200
assign (resid 4 and name HG2#) (resid 39 and name HA2)   3.500 1.500 1.500
assign (resid 4 and name HG2#) (resid 39 and name HN)   3.200 1.400 0.800
assign (resid 4 and name HG2#) (resid 41 and name HB#)   2.100 2.100 3.400
assign (resid 4 and name HG2#) (resid 5 and name HA)   2.700 0.900 0.900
assign (resid 4 and name HG2#) (resid 5 and name HD#)   3.200 1.300 1.300
assign (resid 4 and name HG2#) (resid 5 and name HN)   3.300 1.400 1.400
assign (resid 4 and name HG2#) (resid 51 and name HA)   2.200 0.600 0.600
assign (resid 4 and name HG2#) (resid 51 and name HG1#)   2.500 0.800 0.800
assign (resid 4 and name HG2#) (resid 51 and name HN)   3.000 1.100 1.100
assign (resid 4 and name HG2#) (resid 54 and name HB1)   3.100 1.200 1.200
assign (resid 4 and name HG2#) (resid 54 and name HB2)   2.100 2.100 3.400
assign (resid 4 and name HG2#) (resid 54 and name HD1#)   2.600 0.800 0.800
assign (resid 4 and name HG2#) (resid 54 and name HD2#)   2.500 0.800 0.800
assign (resid 4 and name HG2#) (resid 54 and name HG)   2.500 0.800 0.800
assign (resid 4 and name HN) (resid 37 and name HD1#)   3.000 1.100 1.100
assign (resid 4 and name HN) (resid 37 and name HG2#)   2.400 0.700 0.700
assign (resid 4 and name HN) (resid 39 and name HN)   4.000 2.200 1.000
assign (resid 4 and name HN) (resid 40 and name HA)   3.000 1.100 1.100
assign (resid 4 and name HN) (resid 41 and name HB#)   2.900 2.900 2.600
assign (resid 5 and name HA) (resid 13 and name HN)   4.000 2.200 1.000
assign (resid 5 and name HA) (resid 32 and name HA)   2.200 0.400 0.800
assign (resid 5 and name HA) (resid 32 and name HB)   3.500 1.500 1.500
assign (resid 5 and name HA) (resid 37 and name HA)   4.000 2.200 1.000
assign (resid 5 and name HA) (resid 38 and name HD#)   2.300 2.300 3.200
assign (resid 5 and name HA) (resid 38 and name HN)   2.800 1.000 1.000
assign (resid 5 and name HA) (resid 5 and name HD#)   2.400 2.400 3.100
assign (resid 5 and name HA) (resid 5 and name HN)   2.700 0.900 0.900
assign (resid 5 and name HA) (resid 6 and name HN)   2.600 0.800 0.800
assign (resid 5 and name HB1) (resid 22 and name HB1)   2.900 2.900 2.600
assign (resid 5 and name HB1) (resid 30 and name HG2#)   2.800 0.900 0.900
assign (resid 5 and name HB1) (resid 37 and name HD1#)   4.000 2.200 1.000
assign (resid 5 and name HB1) (resid 5 and name HD#)   2.400 0.700 0.700
assign (resid 5 and name HB1) (resid 5 and name HN)   4.100 2.100 1.400
assign (resid 5 and name HB1) (resid 6 and name HB1)   2.300 2.300 3.200
assign (resid 5 and name HB1) (resid 6 and name HN)   2.500 0.800 0.800
assign (resid 5 and name HB2) (resid 13 and name HN)   3.600 1.600 1.600
assign (resid 5 and name HB2) (resid 32 and name HB)   3.200 1.300 1.300
assign (resid 5 and name HB2) (resid 5 and name HD#)   2.700 0.900 0.900
assign (resid 5 and name HB2) (resid 5 and name HN)   4.200 2.200 1.300
assign (resid 5 and name HB2) (resid 6 and name HN)   2.700 0.900 0.900
assign (resid 5 and name HD#) (resid 13 and name HB1)   3.200 1.400 0.800
assign (resid 5 and name HD#) (resid 13 and name HB2)   3.200 1.400 0.800
assign (resid 5 and name HD#) (resid 15 and name HB1)   4.000 2.200 1.000
assign (resid 5 and name HD#) (resid 15 and name HB2)   4.000 2.200 1.000
assign (resid 5 and name HD#) (resid 30 and name HG1#)   3.600 1.600 1.600
assign (resid 5 and name HD#) (resid 30 and name HG2#)   2.400 2.400 3.100
assign (resid 5 and name HD#) (resid 32 and name HG1#)   4.000 2.200 1.000
assign (resid 5 and name HD#) (resid 32 and name HG2#)   3.200 1.300 1.300
assign (resid 5 and name HD#) (resid 37 and name HA)   2.800 2.800 2.700
assign (resid 5 and name HD#) (resid 37 and name HG11)   3.900 1.900 1.600
assign (resid 5 and name HD#) (resid 37 and name HG2#)   3.200 1.300 1.300
assign (resid 5 and name HD#) (resid 5 and name HN)   3.000 1.100 1.100
assign (resid 5 and name HD#) (resid 6 and name HN)   3.100 1.200 1.200
assign (resid 5 and name HD#) (resid 7 and name HB2)   3.600 1.600 1.600
assign (resid 5 and name HE#) (resid 13 and name HB1)   3.200 1.400 0.800
assign (resid 5 and name HE#) (resid 13 and name HB2)   3.200 1.400 0.800
assign (resid 5 and name HE#) (resid 14 and name HB1)   3.100 3.100 2.400
assign (resid 5 and name HE#) (resid 15 and name HB1)   3.200 1.400 0.800
assign (resid 5 and name HE#) (resid 15 and name HB2)   3.200 1.400 0.800
assign (resid 5 and name HE#) (resid 15 and name HN)   4.200 2.200 1.300
assign (resid 5 and name HN) (resid 12 and name HB#)   4.000 2.200 1.000
assign (resid 5 and name HN) (resid 13 and name HN)   3.200 1.300 1.300
assign (resid 5 and name HN) (resid 14 and name HA)   3.200 1.300 1.300
assign (resid 5 and name HN) (resid 30 and name HG2#)   2.400 2.400 3.100
assign (resid 5 and name HN) (resid 37 and name HG2#)   4.000 2.200 1.000
assign (resid 5 and name HN) (resid 6 and name HG2)   3.600 1.600 1.600
assign (resid 5 and name HZ) (resid 13 and name HB1)   3.200 1.400 0.800
assign (resid 5 and name HZ) (resid 13 and name HB2)   3.200 1.400 0.800
assign (resid 5 and name HZ) (resid 15 and name HB1)   2.600 0.800 0.400
assign (resid 5 and name HZ) (resid 15 and name HB2)   2.600 0.800 0.400
assign (resid 5 and name HZ) (resid 22 and name HB1)   2.800 2.800 2.700
assign (resid 5 and name HZ) (resid 32 and name HG1#)   2.700 2.700 2.800
assign (resid 6 and name HA) (resid 12 and name HA)   2.200 0.600 0.600
assign (resid 6 and name HA) (resid 12 and name HB#)   2.500 0.800 0.800
assign (resid 6 and name HA) (resid 12 and name HN)   3.200 1.300 1.300
assign (resid 6 and name HA) (resid 13 and name HN)   2.900 1.100 1.100
assign (resid 6 and name HA) (resid 7 and name HN)   2.200 0.600 0.600
assign (resid 6 and name HB1) (resid 12 and name HA)   3.400 1.400 1.400
assign (resid 6 and name HB1) (resid 38 and name HB1)   2.200 2.200 3.300
assign (resid 6 and name HB1) (resid 6 and name HN)   2.700 0.900 0.900
assign (resid 6 and name HB2) (resid 6 and name HN)   2.800 1.000 1.000
assign (resid 6 and name HG2) (resid 12 and name HA)   2.700 0.900 0.900
assign (resid 6 and name HG2) (resid 54 and name HD1#)   2.500 0.800 0.800
assign (resid 6 and name HN) (resid 30 and name HG2#)   4.000 2.200 1.000
assign (resid 6 and name HN) (resid 32 and name HB)   3.500 1.500 1.500
assign (resid 7 and name HA) (resid 30 and name HA)   2.200 0.400 0.800
assign (resid 7 and name HA) (resid 7 and name HB2)   2.200 0.600 0.600
assign (resid 7 and name HA) (resid 7 and name HN)   2.200 0.600 0.600
assign (resid 7 and name HA) (resid 8 and name HN)   2.200 0.600 0.600
assign (resid 7 and name HA) (resid 9 and name HN)   3.700 1.700 1.700
assign (resid 7 and name HB1) (resid 11 and name HG2)   2.300 0.700 0.700
assign (resid 7 and name HB1) (resid 11 and name HN)   2.600 0.800 0.800
assign (resid 7 and name HB1) (resid 7 and name HN)   2.400 0.700 0.700
assign (resid 7 and name HB1) (resid 8 and name HN)   3.600 1.600 1.600
assign (resid 7 and name HB2) (resid 13 and name HN)   3.100 3.100 2.400
assign (resid 7 and name HB2) (resid 30 and name HG2#)   3.200 1.300 1.300
assign (resid 7 and name HN) (resid 13 and name HB1)   4.100 2.100 1.400
assign (resid 7 and name HN) (resid 30 and name HG1#)   3.600 1.600 1.900
assign (resid 7 and name HN) (resid 9 and name HB2)   3.100 3.100 2.400
assign (resid 8 and name HA) (resid 8 and name HB2)   2.700 0.900 0.900
assign (resid 8 and name HA) (resid 8 and name HN)   2.400 0.700 0.700
assign (resid 8 and name HB1) (resid 8 and name HN)   2.600 0.800 0.800
assign (resid 8 and name HB1) (resid 9 and name HN)   3.100 1.200 1.200
assign (resid 8 and name HB2) (resid 8 and name HN)   2.800 1.000 1.000
assign (resid 8 and name HB2) (resid 9 and name HN)   3.100 1.200 1.200
assign (resid 8 and name HN) (resid 30 and name HG1#)   4.000 2.200 1.000
assign (resid 8 and name HN) (resid 30 and name HG2#)   3.500 1.500 1.500
assign (resid 8 and name HN) (resid 9 and name HB2)   3.700 1.700 1.700
assign (resid 8 and name HN) (resid 9 and name HN)   2.400 0.700 0.700
assign (resid 9 and name HA) (resid 9 and name HB1)   2.000 0.500 0.500
assign (resid 9 and name HA) (resid 9 and name HN)   2.600 0.800 0.800
assign (resid 9 and name HB2) (resid 10 and name HN)   2.700 0.900 0.900
assign (resid 9 and name HB2) (resid 9 and name HN)   2.400 0.700 0.700
assign (resid 9 and name HN) (resid 10 and name HA2)   4.200 2.200 1.300
assign (resid 9 and name HN) (resid 10 and name HN)   2.500 0.800 0.800
assign (resid 9 and name HN) (resid 11 and name HN)   3.400 1.400 1.400
assign (resid 10 and name HA1) (resid 10 and name HN)   2.600 0.800 0.800
assign (resid 10 and name HA1) (resid 11 and name HN)   2.700 0.900 0.900
assign (resid 10 and name HA2) (resid 10 and name HN)   2.400 0.700 0.700
assign (resid 10 and name HA2) (resid 11 and name HN)   2.900 1.100 1.100
assign (resid 10 and name HN) (resid 11 and name HN)   2.500 0.800 0.800
assign (resid 11 and name HA) (resid 11 and name HN)   2.500 0.800 0.800
assign (resid 11 and name HA) (resid 12 and name HN)   2.200 0.600 0.600
assign (resid 11 and name HB1) (resid 11 and name HN)   2.400 0.700 0.700
assign (resid 11 and name HB2) (resid 12 and name HN)   3.000 1.100 1.100
assign (resid 11 and name HB2) (resid 55 and name HA)   2.500 2.500 3.000
assign (resid 11 and name HG1) (resid 11 and name HN)   2.800 1.000 1.000
assign (resid 11 and name HG2) (resid 13 and name HD2#)   2.400 2.400 3.100
assign (resid 11 and name HN) (resid 12 and name HA)   2.600 2.600 2.900
assign (resid 11 and name HN) (resid 12 and name HN)   4.000 2.000 1.500
assign (resid 12 and name HA) (resid 12 and name HB#)   2.200 0.600 0.600
assign (resid 12 and name HA) (resid 12 and name HN)   2.300 0.700 0.700
assign (resid 12 and name HA) (resid 13 and name HN)   2.000 0.500 0.500
assign (resid 12 and name HB#) (resid 12 and name HN)   2.200 0.600 0.600
assign (resid 12 and name HB#) (resid 13 and name HN)   2.400 0.700 0.700
assign (resid 12 and name HB#) (resid 51 and name HA)   2.500 0.800 0.800
assign (resid 12 and name HB#) (resid 51 and name HB)   4.000 2.200 1.000
assign (resid 12 and name HB#) (resid 51 and name HG1#)   2.600 0.800 0.800
assign (resid 12 and name HB#) (resid 51 and name HG2#)   2.100 0.600 0.600
assign (resid 12 and name HB#) (resid 54 and name HB1)   2.800 1.000 1.000
assign (resid 12 and name HB#) (resid 54 and name HD1#)   2.700 0.900 0.900
assign (resid 12 and name HB#) (resid 54 and name HD2#)   2.900 1.100 1.100
assign (resid 12 and name HB#) (resid 55 and name HA)   3.200 1.300 1.300
assign (resid 12 and name HB#) (resid 55 and name HG1)   4.000 2.200 1.000
assign (resid 12 and name HB#) (resid 55 and name HG2)   2.800 1.000 1.000
assign (resid 12 and name HB#) (resid 55 and name HN)   3.300 1.400 1.400
assign (resid 12 and name HN) (resid 13 and name HG)   3.000 3.000 2.500
assign (resid 12 and name HN) (resid 51 and name HG2#)   3.100 1.200 1.200
assign (resid 12 and name HN) (resid 55 and name HG2)   3.600 1.600 1.600
assign (resid 13 and name HA) (resid 13 and name HB1)   2.500 0.800 0.800
assign (resid 13 and name HA) (resid 13 and name HB2)   2.700 0.900 0.900
assign (resid 13 and name HA) (resid 13 and name HG)   3.500 1.500 1.500
assign (resid 13 and name HA) (resid 13 and name HN)   2.800 1.000 1.000
assign (resid 13 and name HA) (resid 14 and name HN)   2.400 0.700 0.700
assign (resid 13 and name HA) (resid 51 and name HG2#)   1.900 0.500 0.500
assign (resid 13 and name HB1) (resid 13 and name HG)   2.900 1.100 1.100
assign (resid 13 and name HB2) (resid 13 and name HN)   2.800 1.000 1.000
assign (resid 13 and name HB2) (resid 14 and name HN)   2.400 0.700 0.700
assign (resid 13 and name HD1#) (resid 14 and name HN)   2.100 0.600 0.600
assign (resid 13 and name HG) (resid 13 and name HN)   3.300 1.200 1.200
assign (resid 13 and name HG) (resid 14 and name HN)   4.400 2.400 1.100
assign (resid 13 and name HN) (resid 14 and name HN)   3.400 1.400 1.400
assign (resid 13 and name HN) (resid 30 and name HG2#)   2.800 1.000 1.000
assign (resid 13 and name HN) (resid 54 and name HD1#)   3.300 3.300 2.200
assign (resid 14 and name HA) (resid 14 and name HN)   2.600 0.800 0.800
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assign (resid 66 and name HB1) (resid 68 and name HB2)   3.800 1.800 1.700
assign (resid 68 and name HA) (resid 68 and name HN)   2.400 0.700 0.700
assign (resid 68 and name HB1) (resid 68 and name HN)   3.200 1.300 1.300
assign (resid 69 and name HA) (resid 69 and name HN)   2.600 0.800 0.800
assign (resid 69 and name HA) (resid 70 and name HN)   2.900 1.100 1.100
assign (resid 69 and name HB1) (resid 69 and name HN)   4.000 2.000 1.500
assign (resid 69 and name HB2) (resid 69 and name HN)   4.300 2.300 1.200
assign (resid 69 and name HB2) (resid 70 and name HN)   3.400 1.400 1.400
assign (resid 69 and name HG1) (resid 69 and name HN)   4.300 2.300 1.200
assign (resid 70 and name HA) (resid 70 and name HG2)   4.100 2.100 1.400
assign (resid 70 and name HA) (resid 70 and name HN)   2.800 1.000 1.000
assign (resid 70 and name HA) (resid 71 and name HN)   2.700 0.900 0.900
assign (resid 71 and name HA) (resid 71 and name HN)   3.800 1.800 1.700







  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1 -10.568 -11.584   4.673
    2   2H    MET   1          HT2       MET   1 -10.508 -11.744   6.381
    3   3H    MET   1          HT3       MET   1 -10.247 -13.113   5.382
    4    HA   MET   1           HA       MET   1  -8.196 -12.355   6.236
    5   1HB   MET   1          HB1       MET   1  -8.450 -11.540   3.337
    6   2HB   MET   1          HB2       MET   1  -7.029 -12.192   4.142
    7   1HG   MET   1          HG1       MET   1  -9.557 -13.614   3.383
    8   2HG   MET   1          HG2       MET   1  -7.908 -13.945   2.856
    9   1HE   MET   1          HE1       MET   1 -10.613 -15.268   4.498
   10   2HE   MET   1          HE2       MET   1  -9.963 -16.457   5.626
   11   3HE   MET   1          HE3       MET   1  -9.550 -16.548   3.914
   12    H    TYR   2           HN       TYR   2  -6.454 -10.573   5.343
   13    HA   TYR   2           HA       TYR   2  -7.584  -8.006   6.216
   14   1HB   TYR   2          HB2       TYR   2  -4.986  -9.357   6.624
   15   2HB   TYR   2          HB1       TYR   2  -4.897  -7.622   6.332
   16    HD1  TYR   2           HD1      TYR   2  -5.279  -6.118   8.074
   17    HD2  TYR   2           HD2      TYR   2  -6.561 -10.153   8.496
   18    HE1  TYR   2           HE1      TYR   2  -5.840  -5.688  10.429
   19    HE2  TYR   2           HE2      TYR   2  -7.126  -9.734  10.851
   20    HH   TYR   2           HH       TYR   2  -6.506  -6.580  12.358
   21    H    ILE   3           HN       ILE   3  -6.920  -6.068   5.183
   22    HA   ILE   3           HA       ILE   3  -5.902  -6.397   2.439
   23    HB   ILE   3           HB       ILE   3  -7.450  -4.548   1.764
   24   1HG1  ILE   3          HG12      ILE   3  -9.104  -5.179   4.181
   25   2HG1  ILE   3          HG11      ILE   3  -7.815  -3.985   4.311
   26   1HG2  ILE   3          HG21      ILE   3  -9.137  -5.989   1.187
   27   2HG2  ILE   3          HG22      ILE   3  -9.141  -6.787   2.761
   28   3HG2  ILE   3          HG23      ILE   3  -7.854  -7.126   1.603
   29   1HD1  ILE   3          HD11      ILE   3 -10.034  -3.857   2.289
   30   2HD1  ILE   3          HD12      ILE   3  -8.829  -2.618   2.636
   31   3HD1  ILE   3          HD13      ILE   3 -10.048  -3.027   3.844
   32    H    ILE   4           HN       ILE   4  -5.050  -4.350   1.515
   33    HA   ILE   4           HA       ILE   4  -4.110  -2.489   3.594
   34    HB   ILE   4           HB       ILE   4  -2.522  -3.905   1.492
   35   1HG1  ILE   4          HG12      ILE   4  -0.886  -3.538   3.602
   36   2HG1  ILE   4          HG11      ILE   4  -2.443  -3.448   4.421
   37   1HG2  ILE   4          HG21      ILE   4  -2.257  -1.071   2.171
   38   2HG2  ILE   4          HG22      ILE   4  -1.621  -1.977   0.798
   39   3HG2  ILE   4          HG23      ILE   4  -0.768  -2.002   2.343
   40   1HD1  ILE   4          HD11      ILE   4  -2.992  -5.642   3.265
   41   2HD1  ILE   4          HD12      ILE   4  -1.805  -5.683   4.568
   42   3HD1  ILE   4          HD13      ILE   4  -1.272  -5.734   2.888
   43    H    PHE   5           HN       PHE   5  -3.840  -0.319   2.932
   44    HA   PHE   5           HA       PHE   5  -4.777   0.396   0.255
   45   1HB   PHE   5          HB2       PHE   5  -6.102   2.259   1.748
   46   2HB   PHE   5          HB1       PHE   5  -6.838   0.806   1.085
   47    HD1  PHE   5           HD1      PHE   5  -7.332  -1.103   2.510
   48    HD2  PHE   5           HD2      PHE   5  -5.653   2.471   4.094
   49    HE1  PHE   5           HE1      PHE   5  -7.934  -1.827   4.784
   50    HE2  PHE   5           HE2      PHE   5  -6.254   1.754   6.363
   51    HZ   PHE   5           HZ       PHE   5  -7.391  -0.394   6.713
   52    H    ARG   6           HN       ARG   6  -4.961   3.128   0.554
   53    HA   ARG   6           HA       ARG   6  -2.420   3.963   1.758
   54   1HB   ARG   6          HB2       ARG   6  -3.221   4.242  -1.127
   55   2HB   ARG   6          HB1       ARG   6  -2.076   5.355  -0.392
   56   1HG   ARG   6          HG2       ARG   6  -1.111   2.874   0.327
   57   2HG   ARG   6          HG1       ARG   6  -1.694   2.637  -1.321
   58   1HD   ARG   6          HD2       ARG   6   0.126   4.888  -0.487
   59   2HD   ARG   6          HD1       ARG   6   0.697   3.355  -1.145
   60    HE   ARG   6           HE       ARG   6  -1.231   4.810  -2.758
   61   1HH1  ARG   6          HH21      ARG   6   2.111   4.050  -2.134
   62   2HH1  ARG   6          HH22      ARG   6   2.647   4.517  -3.713
   63   1HH2  ARG   6          HH11      ARG   6  -0.535   5.427  -4.840
   64   2HH2  ARG   6          HH12      ARG   6   1.143   5.300  -5.252
   65    H    CYS   7           HN       CYS   7  -2.559   5.829   2.823
   66    HA   CYS   7           HA       CYS   7  -5.030   7.277   2.861
   67   1HB   CYS   7          HB2       CYS   7  -3.479   6.864   4.851
   68   2HB   CYS   7          HB1       CYS   7  -2.450   8.122   4.171
   69    HG   CYS   7           HG       CYS   7  -3.848   9.694   5.401
   70    H    ASP   8           HN       ASP   8  -5.054   9.687   2.619
   71    HA   ASP   8           HA       ASP   8  -4.239  10.413   0.052
   72   1HB   ASP   8          HB1       ASP   8  -5.246  11.991   2.406
   73   2HB   ASP   8          HB2       ASP   8  -4.783  12.798   0.911
   74    H    CYS   9           HN       CYS   9  -2.650  10.763   3.126
   75    HA   CYS   9           HA       CYS   9  -0.661  12.629   2.246
   76   1HB   CYS   9          HB2       CYS   9  -0.765  10.745   4.612
   77   2HB   CYS   9          HB1       CYS   9   0.509  11.934   4.354
   78    HG   CYS   9           HG       CYS   9  -2.378  12.571   5.228
   79    H    GLY  10           HN       GLY  10  -1.270   9.654   1.196
   80   1HA   GLY  10          HA2       GLY  10   0.030   8.299  -0.189
   81   2HA   GLY  10          HA1       GLY  10   1.458   9.195   0.318
   82    H    ARG  11           HN       ARG  11  -0.615   8.178   2.814
   83    HA   ARG  11           HA       ARG  11   1.434   6.439   3.880
   84   1HB   ARG  11          HB1       ARG  11  -1.301   7.092   4.987
   85   2HB   ARG  11          HB2       ARG  11   0.009   6.308   5.856
   86   1HG   ARG  11          HG2       ARG  11   0.513   8.981   4.661
   87   2HG   ARG  11          HG1       ARG  11  -0.476   8.877   6.120
   88   1HD   ARG  11          HD2       ARG  11   2.344   7.878   5.753
   89   2HD   ARG  11          HD1       ARG  11   1.815   9.227   6.756
   90    HE   ARG  11           HE       ARG  11   0.623   6.694   7.443
   91   1HH1  ARG  11          HH21      ARG  11   3.299   8.863   7.965
   92   2HH1  ARG  11          HH22      ARG  11   3.688   8.214   9.523
   93   1HH2  ARG  11          HH11      ARG  11   1.127   5.833   9.493
   94   2HH2  ARG  11          HH12      ARG  11   2.453   6.492  10.391
   95    H    ALA  12           HN       ALA  12   0.079   4.511   5.224
   96    HA   ALA  12           HA       ALA  12  -1.687   3.058   3.475
   97   1HB   ALA  12          HB1       ALA  12   0.965   1.773   4.076
   98   2HB   ALA  12          HB2       ALA  12   0.630   2.628   2.570
   99   3HB   ALA  12          HB3       ALA  12  -0.307   1.197   3.001
  100    H    LEU  13           HN       LEU  13  -2.770   1.382   4.533
  101    HA   LEU  13           HA       LEU  13  -1.954   0.714   7.254
  102   1HB   LEU  13          HB1       LEU  13  -4.372   2.267   6.533
  103   2HB   LEU  13          HB2       LEU  13  -4.573   1.017   7.743
  104    HG   LEU  13           HG       LEU  13  -2.301   2.883   8.133
  105   1HD1  LEU  13          HD21      LEU  13  -3.760   4.588   7.601
  106   2HD1  LEU  13          HD22      LEU  13  -4.031   4.402   9.333
  107   3HD1  LEU  13          HD23      LEU  13  -5.171   3.705   8.184
  108   1HD2  LEU  13          HD11      LEU  13  -2.550   1.262   9.801
  109   2HD2  LEU  13          HD12      LEU  13  -4.303   1.450   9.847
  110   3HD2  LEU  13          HD13      LEU  13  -3.264   2.719  10.493
  111    H    TYR  14           HN       TYR  14  -4.014  -0.764   8.129
  112    HA   TYR  14           HA       TYR  14  -4.656  -2.707   6.017
  113   1HB   TYR  14          HB2       TYR  14  -4.074  -4.545   7.636
  114   2HB   TYR  14          HB1       TYR  14  -2.699  -3.633   7.023
  115    HD1  TYR  14           HD1      TYR  14  -4.769  -4.336   9.965
  116    HD2  TYR  14           HD2      TYR  14  -1.397  -2.206   8.484
  117    HE1  TYR  14           HE1      TYR  14  -4.050  -3.882  12.272
  118    HE2  TYR  14           HE2      TYR  14  -0.668  -1.747  10.787
  119    HH   TYR  14           HH       TYR  14  -2.573  -1.997  13.404
  120    H    SER  15           HN       SER  15  -6.581  -3.811   6.297
  121    HA   SER  15           HA       SER  15  -8.053  -3.639   8.777
  122   1HB   SER  15          HB1       SER  15  -8.524  -1.462   7.568
  123   2HB   SER  15          HB2       SER  15  -9.306  -2.419   6.309
  124    HG   SER  15           HG       SER  15 -10.027  -2.443   9.054
  125    H    ARG  16           HN       ARG  16 -10.528  -4.413   8.027
  126    HA   ARG  16           HA       ARG  16 -10.078  -7.116   7.172
  127   1HB   ARG  16          HB1       ARG  16 -12.385  -7.498   7.661
  128   2HB   ARG  16          HB2       ARG  16 -11.731  -6.473   8.932
  129   1HG   ARG  16          HG1       ARG  16 -13.143  -4.812   8.468
  130   2HG   ARG  16          HG2       ARG  16 -12.893  -4.966   6.726
  131   1HD   ARG  16          HD2       ARG  16 -14.303  -7.184   7.121
  132   2HD   ARG  16          HD1       ARG  16 -14.916  -6.242   8.481
  133    HE   ARG  16           HE       ARG  16 -14.967  -5.104   5.775
  134   1HH1  ARG  16          HH21      ARG  16 -16.636  -6.250   8.611
  135   2HH1  ARG  16          HH22      ARG  16 -18.167  -5.601   8.130
  136   1HH2  ARG  16          HH12      ARG  16 -16.980  -4.247   5.133
  137   2HH2  ARG  16          HH11      ARG  16 -18.363  -4.462   6.152
  138    H    GLU  17           HN       GLU  17 -10.874  -8.143   5.347
  139    HA   GLU  17           HA       GLU  17 -10.718  -6.780   2.930
  140   1HB   GLU  17          HB1       GLU  17 -10.718  -9.371   3.590
  141   2HB   GLU  17          HB2       GLU  17 -12.385  -9.242   3.047
  142   1HG   GLU  17          HG2       GLU  17 -11.261  -8.067   0.976
  143   2HG   GLU  17          HG1       GLU  17  -9.860  -8.997   1.506
  144    H    GLY  18           HN       GLY  18 -12.027  -5.144   2.370
  145   1HA   GLY  18          HA1       GLY  18 -14.386  -5.154   1.272
  146   2HA   GLY  18          HA2       GLY  18 -14.901  -5.375   2.936
  147    H    ALA  19           HN       ALA  19 -12.280  -3.546   3.312
  148    HA   ALA  19           HA       ALA  19 -13.806  -1.156   3.734
  149   1HB   ALA  19          HB1       ALA  19 -10.987  -0.685   3.890
  150   2HB   ALA  19          HB2       ALA  19 -11.386  -2.201   4.699
  151   3HB   ALA  19          HB3       ALA  19 -12.189  -0.706   5.181
  152    H    LYS  20           HN       LYS  20 -14.388   0.096   2.083
  153    HA   LYS  20           HA       LYS  20 -12.709   0.272  -0.292
  154   1HB   LYS  20          HB2       LYS  20 -15.527   0.923   0.374
  155   2HB   LYS  20          HB1       LYS  20 -14.758   1.925  -0.850
  156   1HG   LYS  20          HG2       LYS  20 -15.684   0.278  -2.141
  157   2HG   LYS  20          HG1       LYS  20 -14.064  -0.372  -1.880
  158   1HD   LYS  20          HD1       LYS  20 -15.633  -1.230   0.293
  159   2HD   LYS  20          HD2       LYS  20 -16.599  -1.494  -1.161
  160   1HE   LYS  20          HE2       LYS  20 -13.745  -2.406  -0.833
  161   2HE   LYS  20          HE1       LYS  20 -15.150  -3.424  -0.521
  162   1HZ   LYS  20          HZ1       LYS  20 -15.598  -2.407  -3.012
  163   2HZ   LYS  20          HZ2       LYS  20 -15.034  -3.962  -2.660
  164   3HZ   LYS  20          HZ3       LYS  20 -13.936  -2.724  -3.011
  165    H    THR  21           HN       THR  21 -13.841   2.261   2.374
  166    HA   THR  21           HA       THR  21 -11.743   4.191   1.772
  167    HB   THR  21           HB       THR  21 -13.567   6.002   2.376
  168    HG1  THR  21           HG1      THR  21 -15.080   3.946   2.327
  169   1HG2  THR  21          HG21      THR  21 -12.281   5.537   0.143
  170   2HG2  THR  21          HG22      THR  21 -13.662   6.634   0.195
  171   3HG2  THR  21          HG23      THR  21 -13.868   4.982  -0.390
  172    H    ARG  22           HN       ARG  22 -10.586   4.141   3.567
  173    HA   ARG  22           HA       ARG  22 -11.867   3.766   6.154
  174   1HB   ARG  22          HB1       ARG  22  -9.098   3.571   5.095
  175   2HB   ARG  22          HB2       ARG  22  -9.269   4.034   6.783
  176   1HG   ARG  22          HG1       ARG  22 -10.555   1.587   5.598
  177   2HG   ARG  22          HG2       ARG  22  -8.965   1.586   6.365
  178   1HD   ARG  22          HD1       ARG  22 -11.625   2.223   7.621
  179   2HD   ARG  22          HD2       ARG  22 -10.536   0.890   8.008
  180    HE   ARG  22           HE       ARG  22  -9.882   3.717   8.544
  181   1HH1  ARG  22          HH21      ARG  22  -9.908   0.349   9.444
  182   2HH1  ARG  22          HH22      ARG  22  -9.081   0.611  10.942
  183   1HH2  ARG  22          HH12      ARG  22  -8.793   4.070  10.516
  184   2HH2  ARG  22          HH11      ARG  22  -8.448   2.725  11.553
  185    H    LYS  23           HN       LYS  23 -10.305   5.156   7.877
  186    HA   LYS  23           HA       LYS  23 -10.178   7.929   7.031
  187   1HB   LYS  23          HB1       LYS  23 -12.536   7.609   7.728
  188   2HB   LYS  23          HB2       LYS  23 -11.979   7.077   9.308
  189   1HG   LYS  23          HG2       LYS  23 -10.978   9.271   9.697
  190   2HG   LYS  23          HG1       LYS  23 -11.536   9.804   8.110
  191   1HD   LYS  23          HD2       LYS  23 -13.814   8.790   9.315
  192   2HD   LYS  23          HD1       LYS  23 -12.977   9.628  10.623
  193   1HE   LYS  23          HE2       LYS  23 -12.959  11.158   8.161
  194   2HE   LYS  23          HE1       LYS  23 -14.597  10.776   8.689
  195   1HZ   LYS  23          HZ1       LYS  23 -13.830  11.609  10.949
  196   2HZ   LYS  23          HZ2       LYS  23 -14.084  12.769   9.746
  197   3HZ   LYS  23          HZ3       LYS  23 -12.510  12.286  10.136
  198    H    CYS  24           HN       CYS  24  -8.801   9.157   8.250
  199    HA   CYS  24           HA       CYS  24  -7.210   7.685  10.213
  200   1HB   CYS  24          HB2       CYS  24  -6.535   9.441   8.115
  201   2HB   CYS  24          HB1       CYS  24  -6.183  10.310   9.606
  202    HG   CYS  24           HG       CYS  24  -4.480   8.497  10.244
  203    H    VAL  25           HN       VAL  25  -7.365   8.096  12.302
  204    HA   VAL  25           HA       VAL  25  -9.271   9.928  13.316
  205    HB   VAL  25           HB       VAL  25  -7.110   8.800  15.049
  206   1HG1  VAL  25          HG11      VAL  25  -8.538   9.804  16.474
  207   2HG1  VAL  25          HG12      VAL  25  -9.475   8.324  16.271
  208   3HG1  VAL  25          HG13      VAL  25  -9.878   9.759  15.329
  209   1HG2  VAL  25          HG21      VAL  25  -7.682   6.644  14.768
  210   2HG2  VAL  25          HG22      VAL  25  -8.290   7.186  13.202
  211   3HG2  VAL  25          HG23      VAL  25  -9.393   7.019  14.570
  212    H    CYS  26           HN       CYS  26  -6.002  10.260  12.420
  213    HA   CYS  26           HA       CYS  26  -5.246  12.355  14.182
  214   1HB   CYS  26          HB2       CYS  26  -3.793  10.835  12.614
  215   2HB   CYS  26          HB1       CYS  26  -4.105  12.092  11.422
  216    HG   CYS  26           HG       CYS  26  -1.978  12.251  13.412
  217    H    GLY  27           HN       GLY  27  -6.953  12.233  11.131
  218   1HA   GLY  27          HA1       GLY  27  -8.531  14.246  11.025
  219   2HA   GLY  27          HA2       GLY  27  -7.043  15.180  11.069
  220    H    ARG  28           HN       ARG  28  -8.261  12.346   9.268
  221    HA   ARG  28           HA       ARG  28  -8.243  13.666   6.760
  222   1HB   ARG  28          HB1       ARG  28  -6.351  11.787   6.062
  223   2HB   ARG  28          HB2       ARG  28  -6.063  13.511   6.242
  224   1HG   ARG  28          HG2       ARG  28  -5.300  13.189   8.506
  225   2HG   ARG  28          HG1       ARG  28  -5.706  11.474   8.430
  226   1HD   ARG  28          HD2       ARG  28  -4.104  11.576   6.320
  227   2HD   ARG  28          HD1       ARG  28  -3.443  12.952   7.201
  228    HE   ARG  28           HE       ARG  28  -3.370  10.154   8.024
  229   1HH1  ARG  28          HH11      ARG  28  -2.654  13.491   8.727
  230   2HH1  ARG  28          HH12      ARG  28  -1.521  13.117   9.982
  231   1HH2  ARG  28          HH21      ARG  28  -1.880   9.654   9.675
  232   2HH2  ARG  28          HH22      ARG  28  -1.081  10.937  10.521
  233    H    THR  29           HN       THR  29  -7.876  11.600   5.016
  234    HA   THR  29           HA       THR  29  -9.549   9.393   5.971
  235    HB   THR  29           HB       THR  29 -10.114  11.050   3.502
  236    HG1  THR  29           HG1      THR  29 -11.177  12.096   5.000
  237   1HG2  THR  29          HG21      THR  29 -12.243   9.304   4.049
  238   2HG2  THR  29          HG22      THR  29 -10.773   8.329   4.016
  239   3HG2  THR  29          HG23      THR  29 -11.194   9.339   2.632
  240    H    VAL  30           HN       VAL  30  -9.084   7.437   5.070
  241    HA   VAL  30           HA       VAL  30  -6.775   7.381   3.262
  242    HB   VAL  30           HB       VAL  30  -7.899   5.114   4.904
  243   1HG1  VAL  30          HG21      VAL  30  -6.653   4.006   3.361
  244   2HG1  VAL  30          HG22      VAL  30  -5.355   4.447   4.471
  245   3HG1  VAL  30          HG23      VAL  30  -5.635   5.406   3.018
  246   1HG2  VAL  30          HG11      VAL  30  -5.371   6.566   5.549
  247   2HG2  VAL  30          HG12      VAL  30  -6.405   5.595   6.598
  248   3HG2  VAL  30          HG13      VAL  30  -6.919   7.206   6.098
  249    H    ASN  31           HN       ASN  31  -7.162   7.061   1.197
  250    HA   ASN  31           HA       ASN  31  -9.610   5.702   0.348
  251   1HB   ASN  31          HB1       ASN  31  -9.018   7.884  -0.683
  252   2HB   ASN  31          HB2       ASN  31  -7.545   7.157  -1.320
  253   1HD2  ASN  31          HD22      ASN  31  -7.654   6.488  -3.327
  254   2HD2  ASN  31          HD21      ASN  31  -9.084   6.003  -4.166
  255    H    VAL  32           HN       VAL  32  -9.530   3.570  -0.017
  256    HA   VAL  32           HA       VAL  32  -7.094   2.132  -0.184
  257    HB   VAL  32           HB       VAL  32  -8.326   0.175  -0.368
  258   1HG1  VAL  32          HG11      VAL  32 -10.605   1.139   0.949
  259   2HG1  VAL  32          HG12      VAL  32  -9.290   2.234   1.376
  260   3HG1  VAL  32          HG13      VAL  32  -9.127   0.503   1.672
  261   1HG2  VAL  32          HG21      VAL  32  -9.582   0.732  -2.393
  262   2HG2  VAL  32          HG22      VAL  32 -10.669   1.742  -1.438
  263   3HG2  VAL  32          HG23      VAL  32 -10.613  -0.002  -1.163
  264    H    LYS  33           HN       LYS  33  -7.319   0.312  -2.201
  265    HA   LYS  33           HA       LYS  33  -6.129   1.613  -4.355
  266   1HB   LYS  33          HB2       LYS  33  -6.687  -1.041  -3.619
  267   2HB   LYS  33          HB1       LYS  33  -7.412  -0.831  -5.207
  268   1HG   LYS  33          HG1       LYS  33  -4.794   0.329  -5.179
  269   2HG   LYS  33          HG2       LYS  33  -4.725  -1.333  -4.591
  270   1HD   LYS  33          HD2       LYS  33  -5.909  -2.097  -6.585
  271   2HD   LYS  33          HD1       LYS  33  -6.004  -0.435  -7.172
  272   1HE   LYS  33          HE2       LYS  33  -3.296  -1.268  -6.479
  273   2HE   LYS  33          HE1       LYS  33  -4.017  -2.238  -7.761
  274   1HZ   LYS  33          HZ1       LYS  33  -4.648   0.340  -8.415
  275   2HZ   LYS  33          HZ2       LYS  33  -3.431  -0.600  -9.121
  276   3HZ   LYS  33          HZ3       LYS  33  -3.059   0.449  -7.847
  277    H    ASP  34           HN       ASP  34  -7.085   1.039  -6.711
  278    HA   ASP  34           HA       ASP  34  -9.521   2.624  -6.882
  279   1HB   ASP  34          HB2       ASP  34  -7.488   1.695  -8.905
  280   2HB   ASP  34          HB1       ASP  34  -9.015   2.422  -9.398
  281    H    ARG  35           HN       ARG  35  -8.314  -0.557  -7.858
  282    HA   ARG  35           HA       ARG  35 -10.940  -1.379  -8.780
  283   1HB   ARG  35          HB1       ARG  35  -8.720  -2.096  -9.833
  284   2HB   ARG  35          HB2       ARG  35  -8.520  -3.147  -8.437
  285   1HG   ARG  35          HG1       ARG  35  -9.662  -4.693  -9.532
  286   2HG   ARG  35          HG2       ARG  35 -11.092  -3.670  -9.381
  287   1HD   ARG  35          HD1       ARG  35  -9.180  -3.063 -11.569
  288   2HD   ARG  35          HD2       ARG  35 -10.185  -4.501 -11.736
  289    HE   ARG  35           HE       ARG  35 -11.036  -1.760 -11.899
  290   1HH1  ARG  35          HH11      ARG  35 -12.032  -5.038 -11.250
  291   2HH1  ARG  35          HH12      ARG  35 -13.693  -4.747 -11.644
  292   1HH2  ARG  35          HH21      ARG  35 -13.223  -1.371 -12.419
  293   2HH2  ARG  35          HH22      ARG  35 -14.370  -2.663 -12.308
  294    H    ARG  36           HN       ARG  36  -9.256  -3.877  -7.201
  295    HA   ARG  36           HA       ARG  36 -11.350  -4.160  -5.253
  296   1HB   ARG  36          HB2       ARG  36  -8.826  -5.773  -5.194
  297   2HB   ARG  36          HB1       ARG  36 -10.466  -6.264  -4.794
  298   1HG   ARG  36          HG2       ARG  36 -10.991  -6.760  -6.936
  299   2HG   ARG  36          HG1       ARG  36  -9.966  -5.485  -7.600
  300   1HD   ARG  36          HD2       ARG  36  -8.096  -6.797  -7.604
  301   2HD   ARG  36          HD1       ARG  36  -8.643  -7.770  -6.239
  302    HE   ARG  36           HE       ARG  36 -10.322  -8.662  -7.986
  303   1HH1  ARG  36          HH12      ARG  36  -7.021  -7.740  -8.612
  304   2HH1  ARG  36          HH11      ARG  36  -6.828  -8.843  -9.934
  305   1HH2  ARG  36          HH22      ARG  36 -10.077 -10.117  -9.724
  306   2HH2  ARG  36          HH21      ARG  36  -8.566 -10.194 -10.566
  307    H    ILE  37           HN       ILE  37  -7.986  -4.696  -4.432
  308    HA   ILE  37           HA       ILE  37  -7.844  -2.415  -2.655
  309    HB   ILE  37           HB       ILE  37  -8.704  -5.006  -1.702
  310   1HG1  ILE  37          HG12      ILE  37  -9.604  -2.675  -1.221
  311   2HG1  ILE  37          HG11      ILE  37  -9.455  -3.756   0.161
  312   1HG2  ILE  37          HG21      ILE  37  -7.249  -5.349   0.147
  313   2HG2  ILE  37          HG22      ILE  37  -6.336  -3.884  -0.219
  314   3HG2  ILE  37          HG23      ILE  37  -6.250  -5.273  -1.303
  315   1HD1  ILE  37          HD11      ILE  37  -7.196  -2.618   0.556
  316   2HD1  ILE  37          HD12      ILE  37  -8.665  -1.719   0.938
  317   3HD1  ILE  37          HD13      ILE  37  -7.787  -1.381  -0.553
  318    H    PHE  38           HN       PHE  38  -5.734  -2.185  -1.670
  319    HA   PHE  38           HA       PHE  38  -3.639  -3.352  -3.330
  320   1HB   PHE  38          HB1       PHE  38  -3.987  -0.814  -2.385
  321   2HB   PHE  38          HB2       PHE  38  -2.882  -1.471  -1.182
  322    HD1  PHE  38           HD1      PHE  38  -1.136  -3.196  -2.720
  323    HD2  PHE  38           HD2      PHE  38  -2.774   0.601  -3.730
  324    HE1  PHE  38           HE1      PHE  38   0.759  -2.785  -4.234
  325    HE2  PHE  38           HE2      PHE  38  -0.883   1.018  -5.245
  326    HZ   PHE  38           HZ       PHE  38   0.887  -0.676  -5.499
  327    H    GLY  39           HN       GLY  39  -1.939  -4.564  -2.505
  328   1HA   GLY  39          HA1       GLY  39  -1.063  -6.244  -1.200
  329   2HA   GLY  39          HA2       GLY  39  -1.202  -5.045   0.076
  330    H    ARG  40           HN       ARG  40  -2.546  -7.918  -1.318
  331    HA   ARG  40           HA       ARG  40  -4.719  -7.978   0.630
  332   1HB   ARG  40          HB1       ARG  40  -4.655  -8.833  -1.940
  333   2HB   ARG  40          HB2       ARG  40  -4.253 -10.325  -1.101
  334   1HG   ARG  40          HG1       ARG  40  -6.612  -8.680  -0.278
  335   2HG   ARG  40          HG2       ARG  40  -6.716  -9.837  -1.609
  336   1HD   ARG  40          HD2       ARG  40  -5.471 -11.280   0.373
  337   2HD   ARG  40          HD1       ARG  40  -6.622 -10.291   1.270
  338    HE   ARG  40           HE       ARG  40  -8.362 -11.233  -0.210
  339   1HH1  ARG  40          HH22      ARG  40  -5.328 -12.911   0.140
  340   2HH1  ARG  40          HH21      ARG  40  -5.987 -14.456  -0.280
  341   1HH2  ARG  40          HH11      ARG  40  -9.238 -13.265  -0.764
  342   2HH2  ARG  40          HH12      ARG  40  -8.209 -14.658  -0.794
  343    H    ALA  41           HN       ALA  41  -3.654  -8.258   2.553
  344    HA   ALA  41           HA       ALA  41  -1.804 -10.495   2.830
  345   1HB   ALA  41          HB1       ALA  41  -2.535  -8.218   4.655
  346   2HB   ALA  41          HB2       ALA  41  -1.018  -8.481   3.794
  347   3HB   ALA  41          HB3       ALA  41  -1.468  -9.545   5.130
  348    H    ASP  42           HN       ASP  42  -2.412 -12.399   3.577
  349    HA   ASP  42           HA       ASP  42  -5.062 -12.760   4.693
  350   1HB   ASP  42          HB2       ASP  42  -3.760 -14.328   3.033
  351   2HB   ASP  42          HB1       ASP  42  -3.027 -14.956   4.506
  352    H    ASP  43           HN       ASP  43  -1.696 -12.998   5.705
  353    HA   ASP  43           HA       ASP  43  -2.458 -13.752   8.416
  354   1HB   ASP  43          HB1       ASP  43   0.249 -13.319   7.142
  355   2HB   ASP  43          HB2       ASP  43   0.003 -13.819   8.812
  356    H    PHE  44           HN       PHE  44  -2.413 -12.417  10.153
  357    HA   PHE  44           HA       PHE  44  -2.599  -9.645   9.827
  358   1HB   PHE  44          HB1       PHE  44  -3.561 -10.703  11.766
  359   2HB   PHE  44          HB2       PHE  44  -1.987 -11.295  12.287
  360    HD1  PHE  44           HD1      PHE  44  -3.777  -8.108  11.565
  361    HD2  PHE  44           HD2      PHE  44  -0.808 -10.108  13.867
  362    HE1  PHE  44           HE1      PHE  44  -3.466  -6.079  12.920
  363    HE2  PHE  44           HE2      PHE  44  -0.492  -8.081  15.227
  364    HZ   PHE  44           HZ       PHE  44  -1.823  -6.063  14.754
  365    H    GLU  45           HN       GLU  45   0.139 -11.710  10.613
  366    HA   GLU  45           HA       GLU  45   1.960  -9.643  11.271
  367   1HB   GLU  45          HB1       GLU  45   2.008 -12.495  11.032
  368   2HB   GLU  45          HB2       GLU  45   3.372 -11.836  10.140
  369   1HG   GLU  45          HG2       GLU  45   4.416 -11.866  12.106
  370   2HG   GLU  45          HG1       GLU  45   3.492 -10.403  12.447
  371    H    GLU  46           HN       GLU  46   1.188 -11.321   8.254
  372    HA   GLU  46           HA       GLU  46   3.186 -10.042   6.691
  373   1HB   GLU  46          HB1       GLU  46   0.734 -11.650   6.116
  374   2HB   GLU  46          HB2       GLU  46   1.462 -10.732   4.805
  375   1HG   GLU  46          HG2       GLU  46   3.630 -11.879   5.343
  376   2HG   GLU  46          HG1       GLU  46   2.718 -12.921   6.436
  377    H    ALA  47           HN       ALA  47   0.017  -9.157   7.760
  378    HA   ALA  47           HA       ALA  47  -0.668  -7.219   5.856
  379   1HB   ALA  47          HB1       ALA  47  -1.719  -6.253   8.205
  380   2HB   ALA  47          HB2       ALA  47  -1.545  -7.979   8.531
  381   3HB   ALA  47          HB3       ALA  47  -2.484  -7.434   7.140
  382    H    SER  48           HN       SER  48   0.886  -6.772   9.036
  383    HA   SER  48           HA       SER  48   1.375  -4.033   8.779
  384   1HB   SER  48          HB2       SER  48   1.800  -5.953  10.728
  385   2HB   SER  48          HB1       SER  48   3.433  -5.446  10.297
  386    HG   SER  48           HG       SER  48   1.624  -3.391  10.599
  387    H    GLU  49           HN       GLU  49   3.202  -6.812   7.660
  388    HA   GLU  49           HA       GLU  49   5.580  -5.397   7.015
  389   1HB   GLU  49          HB2       GLU  49   4.487  -8.102   6.569
  390   2HB   GLU  49          HB1       GLU  49   5.642  -7.554   5.365
  391   1HG   GLU  49          HG2       GLU  49   6.818  -6.884   7.780
  392   2HG   GLU  49          HG1       GLU  49   6.077  -8.457   8.075
  393    H    LEU  50           HN       LEU  50   2.669  -6.249   5.222
  394    HA   LEU  50           HA       LEU  50   3.591  -5.387   2.682
  395   1HB   LEU  50          HB1       LEU  50   1.172  -6.450   3.831
  396   2HB   LEU  50          HB2       LEU  50   0.791  -5.113   2.766
  397    HG   LEU  50           HG       LEU  50   1.951  -6.221   0.921
  398   1HD1  LEU  50          HD21      LEU  50   3.051  -7.798   3.055
  399   2HD1  LEU  50          HD22      LEU  50   3.550  -7.692   1.368
  400   3HD1  LEU  50          HD23      LEU  50   2.298  -8.837   1.846
  401   1HD2  LEU  50          HD11      LEU  50   0.462  -8.487   1.229
  402   2HD2  LEU  50          HD12      LEU  50  -0.147  -6.942   0.637
  403   3HD2  LEU  50          HD13      LEU  50  -0.333  -7.370   2.338
  404    H    VAL  51           HN       VAL  51   1.835  -3.825   5.298
  405    HA   VAL  51           HA       VAL  51   1.210  -1.423   3.971
  406    HB   VAL  51           HB       VAL  51   1.662  -1.930   6.909
  407   1HG1  VAL  51          HG21      VAL  51   0.727   0.472   5.410
  408   2HG1  VAL  51          HG22      VAL  51   1.791   0.364   6.813
  409   3HG1  VAL  51          HG23      VAL  51   0.053   0.130   7.003
  410   1HG2  VAL  51          HG11      VAL  51  -0.353  -2.842   5.210
  411   2HG2  VAL  51          HG12      VAL  51  -1.067  -1.494   6.096
  412   3HG2  VAL  51          HG13      VAL  51  -0.360  -2.852   6.974
  413    H    ARG  52           HN       ARG  52   4.036  -2.442   5.834
  414    HA   ARG  52           HA       ARG  52   5.310   0.055   5.999
  415   1HB   ARG  52          HB1       ARG  52   5.972  -1.962   7.296
  416   2HB   ARG  52          HB2       ARG  52   6.608  -2.674   5.821
  417   1HG   ARG  52          HG2       ARG  52   8.526  -1.823   6.682
  418   2HG   ARG  52          HG1       ARG  52   7.987  -0.423   5.752
  419   1HD   ARG  52          HD2       ARG  52   8.520   0.505   7.807
  420   2HD   ARG  52          HD1       ARG  52   6.778   0.264   7.928
  421    HE   ARG  52           HE       ARG  52   8.773  -1.545   9.131
  422   1HH1  ARG  52          HH11      ARG  52   5.686   0.074   9.162
  423   2HH1  ARG  52          HH12      ARG  52   5.211  -0.588  10.691
  424   1HH2  ARG  52          HH22      ARG  52   8.154  -2.420  11.142
  425   2HH2  ARG  52          HH21      ARG  52   6.614  -2.005  11.815
  426    H    LYS  53           HN       LYS  53   5.440  -2.493   3.551
  427    HA   LYS  53           HA       LYS  53   7.347  -1.179   1.891
  428   1HB   LYS  53          HB1       LYS  53   5.784  -3.615   1.827
  429   2HB   LYS  53          HB2       LYS  53   5.737  -2.810   0.263
  430   1HG   LYS  53          HG1       LYS  53   8.140  -2.826   0.129
  431   2HG   LYS  53          HG2       LYS  53   8.259  -3.490   1.760
  432   1HD   LYS  53          HD1       LYS  53   6.625  -4.989  -0.211
  433   2HD   LYS  53          HD2       LYS  53   8.378  -5.019  -0.417
  434   1HE   LYS  53          HE2       LYS  53   8.723  -6.203   1.494
  435   2HE   LYS  53          HE1       LYS  53   7.328  -5.499   2.310
  436   1HZ   LYS  53          HZ1       LYS  53   7.519  -7.935   0.842
  437   2HZ   LYS  53          HZ2       LYS  53   6.268  -6.960   0.254
  438   3HZ   LYS  53          HZ3       LYS  53   6.298  -7.403   1.885
  439    H    LEU  54           HN       LEU  54   3.850  -1.207   2.165
  440    HA   LEU  54           HA       LEU  54   3.310   0.274  -0.206
  441   1HB   LEU  54          HB1       LEU  54   1.827  -0.898   1.957
  442   2HB   LEU  54          HB2       LEU  54   1.267   0.739   1.687
  443    HG   LEU  54           HG       LEU  54  -0.074  -0.847   0.427
  444   1HD1  LEU  54          HD11      LEU  54   1.331   1.370  -0.689
  445   2HD1  LEU  54          HD12      LEU  54  -0.300   0.798  -1.036
  446   3HD1  LEU  54          HD13      LEU  54   1.071   0.156  -1.940
  447   1HD2  LEU  54          HD21      LEU  54   2.581  -1.700  -0.674
  448   2HD2  LEU  54          HD22      LEU  54   1.075  -1.993  -1.546
  449   3HD2  LEU  54          HD23      LEU  54   1.315  -2.687   0.058
  450    H    GLN  55           HN       GLN  55   4.512   1.119   2.875
  451    HA   GLN  55           HA       GLN  55   3.516   3.752   3.085
  452   1HB   GLN  55          HB1       GLN  55   5.654   2.166   4.383
  453   2HB   GLN  55          HB2       GLN  55   5.815   3.913   4.473
  454   1HG   GLN  55          HG1       GLN  55   3.595   4.070   5.477
  455   2HG   GLN  55          HG2       GLN  55   3.432   2.317   5.386
  456   1HE2  GLN  55          HE22      GLN  55   5.953   1.526   6.157
  457   2HE2  GLN  55          HE21      GLN  55   6.208   1.959   7.810
  458    H    GLU  56           HN       GLU  56   5.571   5.448   3.442
  459    HA   GLU  56           HA       GLU  56   6.329   6.062   0.731
  460   1HB   GLU  56          HB1       GLU  56   6.241   7.459   3.307
  461   2HB   GLU  56          HB2       GLU  56   7.631   7.893   2.323
  462   1HG   GLU  56          HG1       GLU  56   4.876   7.885   1.160
  463   2HG   GLU  56          HG2       GLU  56   5.461   9.257   2.099
  464    H    GLU  57           HN       GLU  57   7.530   3.739   1.164
  465    HA   GLU  57           HA       GLU  57  10.161   4.003   2.273
  466   1HB   GLU  57          HB1       GLU  57   8.613   1.860   0.907
  467   2HB   GLU  57          HB2       GLU  57  10.366   1.732   0.887
  468   1HG   GLU  57          HG2       GLU  57   9.361   2.367   3.524
  469   2HG   GLU  57          HG1       GLU  57   8.664   0.877   2.889
  470    H    LYS  58           HN       LYS  58  11.823   4.936   1.312
  471    HA   LYS  58           HA       LYS  58  11.751   5.593  -1.484
  472   1HB   LYS  58          HB1       LYS  58  13.779   6.114   0.687
  473   2HB   LYS  58          HB2       LYS  58  13.999   6.633  -0.979
  474   1HG   LYS  58          HG2       LYS  58  11.440   7.504  -0.158
  475   2HG   LYS  58          HG1       LYS  58  12.582   7.921   1.122
  476   1HD   LYS  58          HD1       LYS  58  13.984   9.097  -0.438
  477   2HD   LYS  58          HD2       LYS  58  12.993   8.559  -1.797
  478   1HE   LYS  58          HE1       LYS  58  11.777  10.132   0.440
  479   2HE   LYS  58          HE2       LYS  58  12.664  10.950  -0.846
  480   1HZ   LYS  58          HZ1       LYS  58  11.166  10.095  -2.463
  481   2HZ   LYS  58          HZ2       LYS  58  10.231  10.770  -1.225
  482   3HZ   LYS  58          HZ3       LYS  58  10.404   9.091  -1.335
  483    H    TYR  59           HN       TYR  59  11.946   2.748  -0.668
  484    HA   TYR  59           HA       TYR  59  14.615   1.966  -1.507
  485   1HB   TYR  59          HB2       TYR  59  12.650   0.812   0.130
  486   2HB   TYR  59          HB1       TYR  59  12.737  -0.224  -1.290
  487    HD1  TYR  59           HD1      TYR  59  14.423   0.870   1.727
  488    HD2  TYR  59           HD2      TYR  59  14.877  -1.329  -1.887
  489    HE1  TYR  59           HE1      TYR  59  16.436  -0.205   2.642
  490    HE2  TYR  59           HE2      TYR  59  16.892  -2.410  -0.982
  491    HH   TYR  59           HH       TYR  59  18.622  -1.930   0.747
  492    H    GLY  60           HN       GLY  60  15.167   1.425  -3.513
  493   1HA   GLY  60          HA1       GLY  60  13.777  -0.024  -5.370
  494   2HA   GLY  60          HA2       GLY  60  13.246   1.629  -5.636
  495    H    SER  61           HN       SER  61  15.422   3.140  -5.378
  496    HA   SER  61           HA       SER  61  17.023   2.315  -7.658
  497   1HB   SER  61          HB2       SER  61  17.645   4.877  -6.319
  498   2HB   SER  61          HB1       SER  61  17.393   4.529  -8.029
  499    HG   SER  61           HG       SER  61  15.715   5.818  -7.192
  500    H    CYS  62           HN       CYS  62  18.243   0.640  -6.694
  501    HA   CYS  62           HA       CYS  62  19.967   1.251  -4.452
  502   1HB   CYS  62          HB1       CYS  62  20.295  -1.233  -6.075
  503   2HB   CYS  62          HB2       CYS  62  20.399  -1.013  -4.331
  504    HG   CYS  62           HG       CYS  62  18.150  -1.964  -4.279
  505    H    HIS  63           HN       HIS  63  21.132   3.001  -5.492
  506    HA   HIS  63           HA       HIS  63  23.318   1.984  -7.176
  507   1HB   HIS  63          HB1       HIS  63  21.673   4.478  -7.544
  508   2HB   HIS  63          HB2       HIS  63  23.306   4.361  -8.194
  509    HD2  HIS  63           HD2      HIS  63  19.765   3.527  -9.168
  510    HE1  HIS  63           HE1      HIS  63  22.291   1.248 -11.686
  511    HE2  HIS  63           HE2      HIS  63  19.916   2.045 -11.294
  512    H    PHE  64           HN       PHE  64  22.244   4.465  -4.893
  513    HA   PHE  64           HA       PHE  64  24.855   5.523  -4.439
  514   1HB   PHE  64          HB2       PHE  64  22.234   5.778  -2.970
  515   2HB   PHE  64          HB1       PHE  64  23.709   6.535  -2.381
  516    HD1  PHE  64           HD1      PHE  64  24.462   8.569  -3.265
  517    HD2  PHE  64           HD2      PHE  64  21.368   6.418  -5.243
  518    HE1  PHE  64           HE1      PHE  64  24.056  10.505  -4.727
  519    HE2  PHE  64           HE2      PHE  64  20.957   8.351  -6.708
  520    HZ   PHE  64           HZ       PHE  64  22.301  10.398  -6.452
  521    H    THR  65           HN       THR  65  22.792   4.120  -1.919
  522    HA   THR  65           HA       THR  65  25.171   2.882  -0.746
  523    HB   THR  65           HB       THR  65  22.462   2.979   0.553
  524    HG1  THR  65           HG1      THR  65  24.164   5.089   0.009
  525   1HG2  THR  65          HG21      THR  65  24.889   3.521   2.095
  526   2HG2  THR  65          HG22      THR  65  24.768   1.891   1.433
  527   3HG2  THR  65          HG23      THR  65  23.492   2.515   2.477
  528    H    ASN  66           HN       ASN  66  25.304   0.703  -0.279
  529    HA   ASN  66           HA       ASN  66  23.744  -1.025  -1.964
  530   1HB   ASN  66          HB2       ASN  66  26.227  -1.189  -0.461
  531   2HB   ASN  66          HB1       ASN  66  25.249  -2.640  -0.254
  532   1HD2  ASN  66          HD21      ASN  66  25.793  -4.167  -1.613
  533   2HD2  ASN  66          HD22      ASN  66  26.291  -3.950  -3.253
  534    HA   PRO  67           HA       PRO  67  20.524  -2.175   0.820
  535   1HB   PRO  67          HB1       PRO  67  20.866  -4.953  -0.148
  536   2HB   PRO  67          HB2       PRO  67  19.442  -3.911  -0.197
  537   1HG   PRO  67          HG1       PRO  67  20.835  -4.444  -2.412
  538   2HG   PRO  67          HG2       PRO  67  20.123  -2.843  -2.134
  539   1HD   PRO  67          HD2       PRO  67  22.964  -3.736  -1.835
  540   2HD   PRO  67          HD1       PRO  67  22.324  -2.210  -2.480
  541    H    SER  68           HN       SER  68  23.302  -4.377   0.638
  542    HA   SER  68           HA       SER  68  22.822  -5.405   3.296
  543   1HB   SER  68          HB2       SER  68  25.162  -6.471   2.804
  544   2HB   SER  68          HB1       SER  68  23.745  -7.045   1.926
  545    HG   SER  68           HG       SER  68  24.880  -4.937   0.672
  546    H    LYS  69           HN       LYS  69  23.998  -2.559   2.223
  547    HA   LYS  69           HA       LYS  69  26.226  -2.336   4.073
  548   1HB   LYS  69          HB2       LYS  69  25.656  -1.154   1.648
  549   2HB   LYS  69          HB1       LYS  69  25.306   0.131   2.795
  550   1HG   LYS  69          HG1       LYS  69  27.843  -1.327   3.185
  551   2HG   LYS  69          HG2       LYS  69  27.729  -0.290   1.762
  552   1HD   LYS  69          HD1       LYS  69  27.212   1.620   3.115
  553   2HD   LYS  69          HD2       LYS  69  27.080   0.617   4.562
  554   1HE   LYS  69          HE2       LYS  69  29.263   0.771   4.941
  555   2HE   LYS  69          HE1       LYS  69  29.633   0.215   3.309
  556   1HZ   LYS  69          HZ1       LYS  69  29.789   2.344   2.520
  557   2HZ   LYS  69          HZ2       LYS  69  30.368   2.567   4.093
  558   3HZ   LYS  69          HZ3       LYS  69  28.778   2.996   3.709
  559    H    ARG  70           HN       ARG  70  24.607   0.608   3.844
  560    HA   ARG  70           HA       ARG  70  23.906   0.504   6.646
  561   1HB   ARG  70          HB2       ARG  70  24.319   2.595   4.613
  562   2HB   ARG  70          HB1       ARG  70  23.055   2.952   5.783
  563   1HG   ARG  70          HG1       ARG  70  24.667   2.542   7.604
  564   2HG   ARG  70          HG2       ARG  70  25.927   2.287   6.395
  565   1HD   ARG  70          HD2       ARG  70  25.794   4.530   5.648
  566   2HD   ARG  70          HD1       ARG  70  24.304   4.814   6.548
  567    HE   ARG  70           HE       ARG  70  25.818   4.397   8.580
  568   1HH1  ARG  70          HH11      ARG  70  26.833   5.914   5.611
  569   2HH1  ARG  70          HH12      ARG  70  28.065   6.867   6.369
  570   1HH2  ARG  70          HH21      ARG  70  27.437   5.648   9.585
  571   2HH2  ARG  70          HH22      ARG  70  28.409   6.716   8.628
  572    H    GLU  71           HN       GLU  71  22.137   1.549   3.725
  573    HA   GLU  71           HA       GLU  71  19.612   1.019   5.075
  574   1HB   GLU  71          HB2       GLU  71  20.491   2.825   3.059
  575   2HB   GLU  71          HB1       GLU  71  19.245   1.806   2.352
  576   1HG   GLU  71          HG2       GLU  71  18.263   3.803   3.270
  577   2HG   GLU  71          HG1       GLU  71  17.735   2.393   4.189
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1  -9.684 -12.333   6.886
    2   2H    MET   1          HT2       MET   1  -9.382 -13.831   6.108
    3   3H    MET   1          HT3       MET   1 -10.226 -12.590   5.277
    4    HA   MET   1           HA       MET   1  -7.394 -12.838   5.911
    5   1HB   MET   1          HB2       MET   1  -7.179 -12.234   3.584
    6   2HB   MET   1          HB1       MET   1  -8.388 -13.503   3.720
    7   1HG   MET   1          HG2       MET   1  -9.837 -11.147   3.916
    8   2HG   MET   1          HG1       MET   1  -8.630 -10.827   2.671
    9   1HE   MET   1          HE1       MET   1 -10.752 -13.472   4.110
   10   2HE   MET   1          HE2       MET   1 -11.111 -14.570   2.778
   11   3HE   MET   1          HE3       MET   1 -12.164 -13.191   3.092
   12    H    TYR   2           HN       TYR   2  -6.417 -10.678   4.637
   13    HA   TYR   2           HA       TYR   2  -7.618  -8.337   5.941
   14   1HB   TYR   2          HB2       TYR   2  -4.956  -9.503   6.410
   15   2HB   TYR   2          HB1       TYR   2  -4.948  -7.770   6.106
   16    HD1  TYR   2           HD1      TYR   2  -5.163  -6.367   7.921
   17    HD2  TYR   2           HD2      TYR   2  -6.824 -10.277   8.151
   18    HE1  TYR   2           HE1      TYR   2  -5.804  -5.951  10.256
   19    HE2  TYR   2           HE2      TYR   2  -7.470  -9.871  10.488
   20    HH   TYR   2           HH       TYR   2  -7.994  -7.623  11.890
   21    H    ILE   3           HN       ILE   3  -6.959  -6.296   5.028
   22    HA   ILE   3           HA       ILE   3  -5.959  -6.479   2.264
   23    HB   ILE   3           HB       ILE   3  -7.546  -4.655   1.663
   24   1HG1  ILE   3          HG11      ILE   3  -9.127  -5.318   4.121
   25   2HG1  ILE   3          HG12      ILE   3  -7.850  -4.108   4.212
   26   1HG2  ILE   3          HG21      ILE   3  -9.410  -6.712   2.574
   27   2HG2  ILE   3          HG22      ILE   3  -7.989  -7.346   1.745
   28   3HG2  ILE   3          HG23      ILE   3  -9.026  -6.166   0.942
   29   1HD1  ILE   3          HD11      ILE   3 -10.159  -3.231   3.802
   30   2HD1  ILE   3          HD12      ILE   3 -10.080  -3.984   2.209
   31   3HD1  ILE   3          HD13      ILE   3  -8.933  -2.716   2.644
   32    H    ILE   4           HN       ILE   4  -5.072  -4.433   1.440
   33    HA   ILE   4           HA       ILE   4  -4.199  -2.610   3.582
   34    HB   ILE   4           HB       ILE   4  -2.553  -3.977   1.497
   35   1HG1  ILE   4          HG11      ILE   4  -0.968  -3.567   3.654
   36   2HG1  ILE   4          HG12      ILE   4  -2.550  -3.550   4.427
   37   1HG2  ILE   4          HG21      ILE   4  -1.737  -1.991   0.817
   38   2HG2  ILE   4          HG22      ILE   4  -0.812  -2.092   2.318
   39   3HG2  ILE   4          HG23      ILE   4  -2.299  -1.145   2.260
   40   1HD1  ILE   4          HD11      ILE   4  -2.949  -5.749   3.970
   41   2HD1  ILE   4          HD12      ILE   4  -1.196  -5.767   4.167
   42   3HD1  ILE   4          HD13      ILE   4  -1.902  -5.759   2.551
   43    H    PHE   5           HN       PHE   5  -3.914  -0.420   2.971
   44    HA   PHE   5           HA       PHE   5  -4.806   0.336   0.291
   45   1HB   PHE   5          HB1       PHE   5  -6.133   2.194   1.809
   46   2HB   PHE   5          HB2       PHE   5  -6.868   0.782   1.064
   47    HD1  PHE   5           HD1      PHE   5  -7.100  -1.331   2.454
   48    HD2  PHE   5           HD2      PHE   5  -6.165   2.472   4.114
   49    HE1  PHE   5           HE1      PHE   5  -7.838  -2.117   4.664
   50    HE2  PHE   5           HE2      PHE   5  -6.902   1.694   6.323
   51    HZ   PHE   5           HZ       PHE   5  -7.738  -0.599   6.601
   52    H    ARG   6           HN       ARG   6  -4.995   3.083   0.661
   53    HA   ARG   6           HA       ARG   6  -2.464   3.884   1.898
   54   1HB   ARG   6          HB2       ARG   6  -3.121   3.969  -1.004
   55   2HB   ARG   6          HB1       ARG   6  -2.225   5.324  -0.332
   56   1HG   ARG   6          HG1       ARG   6  -0.378   4.037   0.157
   57   2HG   ARG   6          HG2       ARG   6  -1.305   2.536   0.201
   58   1HD   ARG   6          HD2       ARG   6  -0.480   4.133  -2.213
   59   2HD   ARG   6          HD1       ARG   6   0.005   2.493  -1.782
   60    HE   ARG   6           HE       ARG   6  -2.695   2.328  -2.019
   61   1HH1  ARG   6          HH12      ARG   6  -0.146   3.479  -4.099
   62   2HH1  ARG   6          HH11      ARG   6  -0.980   3.071  -5.560
   63   1HH2  ARG   6          HH21      ARG   6  -3.800   1.788  -3.941
   64   2HH2  ARG   6          HH22      ARG   6  -3.056   2.110  -5.471
   65    H    CYS   7           HN       CYS   7  -2.575   5.782   2.919
   66    HA   CYS   7           HA       CYS   7  -5.036   7.256   2.912
   67   1HB   CYS   7          HB2       CYS   7  -3.508   6.833   4.927
   68   2HB   CYS   7          HB1       CYS   7  -2.475   8.094   4.257
   69    HG   CYS   7           HG       CYS   7  -5.018   8.549   5.811
   70    H    ASP   8           HN       ASP   8  -5.053   9.649   2.611
   71    HA   ASP   8           HA       ASP   8  -4.139  10.327   0.064
   72   1HB   ASP   8          HB2       ASP   8  -4.761  12.700   0.755
   73   2HB   ASP   8          HB1       ASP   8  -6.033  11.490   0.892
   74    H    CYS   9           HN       CYS   9  -2.656  10.712   3.183
   75    HA   CYS   9           HA       CYS   9  -0.635  12.566   2.352
   76   1HB   CYS   9          HB2       CYS   9  -0.854  10.720   4.734
   77   2HB   CYS   9          HB1       CYS   9   0.471  11.857   4.500
   78    HG   CYS   9           HG       CYS   9  -1.307  13.801   4.693
   79    H    GLY  10           HN       GLY  10  -1.208   9.573   1.318
   80   1HA   GLY  10          HA1       GLY  10   0.151   8.226  -0.025
   81   2HA   GLY  10          HA2       GLY  10   1.558   9.113   0.552
   82    H    ARG  11           HN       ARG  11  -0.604   8.119   2.972
   83    HA   ARG  11           HA       ARG  11   1.379   6.334   4.087
   84   1HB   ARG  11          HB1       ARG  11  -1.384   6.879   5.169
   85   2HB   ARG  11          HB2       ARG  11   0.020   6.290   6.048
   86   1HG   ARG  11          HG1       ARG  11   1.073   8.564   5.317
   87   2HG   ARG  11          HG2       ARG  11  -0.613   9.048   5.114
   88   1HD   ARG  11          HD2       ARG  11  -1.097   8.761   7.372
   89   2HD   ARG  11          HD1       ARG  11   0.304   7.723   7.639
   90    HE   ARG  11           HE       ARG  11   0.368  10.648   7.337
   91   1HH1  ARG  11          HH21      ARG  11   1.873   7.652   8.285
   92   2HH1  ARG  11          HH22      ARG  11   3.213   8.423   9.065
   93   1HH2  ARG  11          HH11      ARG  11   2.128  11.672   8.362
   94   2HH2  ARG  11          HH12      ARG  11   3.359  10.707   9.109
   95    H    ALA  12           HN       ALA  12  -0.114   4.444   5.386
   96    HA   ALA  12           HA       ALA  12  -1.821   3.037   3.547
   97   1HB   ALA  12          HB1       ALA  12   0.085   2.246   2.495
   98   2HB   ALA  12          HB2       ALA  12  -0.267   0.974   3.665
   99   3HB   ALA  12          HB3       ALA  12   1.001   2.154   4.000
  100    H    LEU  13           HN       LEU  13  -2.965   1.339   4.531
  101    HA   LEU  13           HA       LEU  13  -2.324   0.717   7.315
  102   1HB   LEU  13          HB1       LEU  13  -4.783   2.102   6.361
  103   2HB   LEU  13          HB2       LEU  13  -4.931   0.954   7.676
  104    HG   LEU  13           HG       LEU  13  -2.780   2.935   8.015
  105   1HD1  LEU  13          HD21      LEU  13  -3.940   4.826   7.874
  106   2HD1  LEU  13          HD22      LEU  13  -5.304   4.138   8.756
  107   3HD1  LEU  13          HD23      LEU  13  -5.173   3.904   7.013
  108   1HD2  LEU  13          HD11      LEU  13  -4.416   3.016  10.198
  109   2HD2  LEU  13          HD12      LEU  13  -3.040   1.933   9.997
  110   3HD2  LEU  13          HD13      LEU  13  -4.667   1.373   9.608
  111    H    TYR  14           HN       TYR  14  -4.137  -0.920   8.129
  112    HA   TYR  14           HA       TYR  14  -4.767  -2.829   5.982
  113   1HB   TYR  14          HB2       TYR  14  -3.977  -4.686   7.441
  114   2HB   TYR  14          HB1       TYR  14  -2.683  -3.614   6.914
  115    HD1  TYR  14           HD1      TYR  14  -1.744  -1.942   8.531
  116    HD2  TYR  14           HD2      TYR  14  -4.454  -4.991   9.741
  117    HE1  TYR  14           HE1      TYR  14  -1.059  -1.615  10.870
  118    HE2  TYR  14           HE2      TYR  14  -3.776  -4.671  12.084
  119    HH   TYR  14           HH       TYR  14  -1.068  -2.693  12.961
  120    H    SER  15           HN       SER  15  -6.656  -3.947   6.250
  121    HA   SER  15           HA       SER  15  -8.001  -4.029   8.805
  122   1HB   SER  15          HB1       SER  15  -8.546  -1.770   7.634
  123   2HB   SER  15          HB2       SER  15  -9.550  -2.752   6.566
  124    HG   SER  15           HG       SER  15 -10.796  -3.344   8.282
  125    H    ARG  16           HN       ARG  16 -10.488  -4.798   8.121
  126    HA   ARG  16           HA       ARG  16 -10.035  -7.410   7.023
  127   1HB   ARG  16          HB1       ARG  16 -12.291  -7.892   7.614
  128   2HB   ARG  16          HB2       ARG  16 -11.612  -6.923   8.914
  129   1HG   ARG  16          HG1       ARG  16 -13.172  -5.368   8.667
  130   2HG   ARG  16          HG2       ARG  16 -12.864  -5.248   6.933
  131   1HD   ARG  16          HD1       ARG  16 -15.071  -5.943   6.999
  132   2HD   ARG  16          HD2       ARG  16 -14.197  -7.460   6.788
  133    HE   ARG  16           HE       ARG  16 -14.843  -6.671   9.516
  134   1HH1  ARG  16          HH12      ARG  16 -15.593  -8.642   6.741
  135   2HH1  ARG  16          HH11      ARG  16 -16.548  -9.772   7.641
  136   1HH2  ARG  16          HH21      ARG  16 -16.100  -8.156  10.708
  137   2HH2  ARG  16          HH22      ARG  16 -16.836  -9.496   9.895
  138    H    GLU  17           HN       GLU  17 -10.965  -8.308   5.170
  139    HA   GLU  17           HA       GLU  17 -10.912  -6.759   2.863
  140   1HB   GLU  17          HB1       GLU  17 -10.891  -9.382   3.281
  141   2HB   GLU  17          HB2       GLU  17 -12.601  -9.217   2.907
  142   1HG   GLU  17          HG2       GLU  17 -10.798  -7.863   1.034
  143   2HG   GLU  17          HG1       GLU  17 -10.647  -9.618   1.077
  144    H    GLY  18           HN       GLY  18 -12.228  -5.129   2.370
  145   1HA   GLY  18          HA2       GLY  18 -14.668  -5.061   1.464
  146   2HA   GLY  18          HA1       GLY  18 -15.051  -5.286   3.164
  147    H    ALA  19           HN       ALA  19 -12.344  -3.544   3.319
  148    HA   ALA  19           HA       ALA  19 -13.747  -1.121   3.921
  149   1HB   ALA  19          HB1       ALA  19 -10.938  -0.679   3.813
  150   2HB   ALA  19          HB2       ALA  19 -11.237  -2.244   4.568
  151   3HB   ALA  19          HB3       ALA  19 -11.988  -0.790   5.225
  152    H    LYS  20           HN       LYS  20 -14.400   0.261   2.441
  153    HA   LYS  20           HA       LYS  20 -13.083   0.404  -0.150
  154   1HB   LYS  20          HB2       LYS  20 -15.432   2.068   0.735
  155   2HB   LYS  20          HB1       LYS  20 -14.972   1.612  -0.899
  156   1HG   LYS  20          HG1       LYS  20 -16.735   0.207  -0.557
  157   2HG   LYS  20          HG2       LYS  20 -15.407  -0.816  -0.004
  158   1HD   LYS  20          HD2       LYS  20 -16.486  -1.035   1.930
  159   2HD   LYS  20          HD1       LYS  20 -16.156   0.672   2.234
  160   1HE   LYS  20          HE2       LYS  20 -18.533   0.157   2.477
  161   2HE   LYS  20          HE1       LYS  20 -18.246   1.286   1.155
  162   1HZ   LYS  20          HZ1       LYS  20 -18.669  -0.340  -0.428
  163   2HZ   LYS  20          HZ2       LYS  20 -19.840  -0.645   0.754
  164   3HZ   LYS  20          HZ3       LYS  20 -18.458  -1.617   0.662
  165    H    THR  21           HN       THR  21 -13.877   2.536   2.567
  166    HA   THR  21           HA       THR  21 -11.542   4.158   1.951
  167    HB   THR  21           HB       THR  21 -13.444   6.092   2.554
  168    HG1  THR  21           HG1      THR  21 -14.829   5.442   0.546
  169   1HG2  THR  21          HG21      THR  21 -12.482   5.302  -0.182
  170   2HG2  THR  21          HG22      THR  21 -11.635   6.364   0.943
  171   3HG2  THR  21          HG23      THR  21 -13.193   6.852   0.274
  172    H    ARG  22           HN       ARG  22 -10.457   4.221   3.796
  173    HA   ARG  22           HA       ARG  22 -11.837   3.977   6.337
  174   1HB   ARG  22          HB1       ARG  22  -9.257   3.308   5.353
  175   2HB   ARG  22          HB2       ARG  22  -9.035   4.469   6.655
  176   1HG   ARG  22          HG1       ARG  22 -10.973   2.451   7.368
  177   2HG   ARG  22          HG2       ARG  22  -9.427   1.736   6.902
  178   1HD   ARG  22          HD2       ARG  22  -8.717   3.890   8.487
  179   2HD   ARG  22          HD1       ARG  22 -10.144   3.229   9.284
  180    HE   ARG  22           HE       ARG  22  -7.709   1.679   8.685
  181   1HH1  ARG  22          HH22      ARG  22 -10.509   2.355  10.646
  182   2HH1  ARG  22          HH21      ARG  22 -10.133   1.147  11.828
  183   1HH2  ARG  22          HH12      ARG  22  -7.206   0.085  10.234
  184   2HH2  ARG  22          HH11      ARG  22  -8.255  -0.144  11.595
  185    H    LYS  23           HN       LYS  23 -10.163   5.471   8.001
  186    HA   LYS  23           HA       LYS  23 -10.196   8.207   7.025
  187   1HB   LYS  23          HB1       LYS  23 -12.503   7.730   7.904
  188   2HB   LYS  23          HB2       LYS  23 -11.784   7.454   9.485
  189   1HG   LYS  23          HG1       LYS  23 -11.152   9.701   9.712
  190   2HG   LYS  23          HG2       LYS  23 -11.406  10.031   7.997
  191   1HD   LYS  23          HD2       LYS  23 -13.264  10.982   9.074
  192   2HD   LYS  23          HD1       LYS  23 -13.854   9.453   8.420
  193   1HE   LYS  23          HE1       LYS  23 -14.346   8.673  10.447
  194   2HE   LYS  23          HE2       LYS  23 -12.765   9.129  11.081
  195   1HZ   LYS  23          HZ1       LYS  23 -14.870  11.155  10.669
  196   2HZ   LYS  23          HZ2       LYS  23 -13.522  11.219  11.689
  197   3HZ   LYS  23          HZ3       LYS  23 -14.832  10.221  12.079
  198    H    CYS  24           HN       CYS  24  -8.805   9.541   8.087
  199    HA   CYS  24           HA       CYS  24  -7.054   8.251  10.044
  200   1HB   CYS  24          HB2       CYS  24  -6.542   9.863   7.808
  201   2HB   CYS  24          HB1       CYS  24  -6.201  10.888   9.200
  202    HG   CYS  24           HG       CYS  24  -4.341   9.297   9.919
  203    H    VAL  25           HN       VAL  25  -7.116   8.789  12.112
  204    HA   VAL  25           HA       VAL  25  -9.043  10.610  13.112
  205    HB   VAL  25           HB       VAL  25  -6.762   9.692  14.808
  206   1HG1  VAL  25          HG11      VAL  25  -9.591   9.377  15.596
  207   2HG1  VAL  25          HG12      VAL  25  -9.012  11.031  15.396
  208   3HG1  VAL  25          HG13      VAL  25  -8.207   9.947  16.530
  209   1HG2  VAL  25          HG21      VAL  25  -7.063   7.533  14.389
  210   2HG2  VAL  25          HG22      VAL  25  -8.232   7.942  13.132
  211   3HG2  VAL  25          HG23      VAL  25  -8.774   7.680  14.791
  212    H    CYS  26           HN       CYS  26  -5.835  10.986  12.031
  213    HA   CYS  26           HA       CYS  26  -5.071  13.224  13.605
  214   1HB   CYS  26          HB2       CYS  26  -3.609  11.661  12.130
  215   2HB   CYS  26          HB1       CYS  26  -4.062  12.740  10.815
  216    HG   CYS  26           HG       CYS  26  -2.277  13.533  13.219
  217    H    GLY  27           HN       GLY  27  -6.923  12.829  10.667
  218   1HA   GLY  27          HA1       GLY  27  -8.570  14.777  10.488
  219   2HA   GLY  27          HA2       GLY  27  -7.116  15.760  10.401
  220    H    ARG  28           HN       ARG  28  -8.292  12.762   8.857
  221    HA   ARG  28           HA       ARG  28  -8.436  13.901   6.267
  222   1HB   ARG  28          HB1       ARG  28  -6.501  12.062   5.602
  223   2HB   ARG  28          HB2       ARG  28  -6.267  13.803   5.681
  224   1HG   ARG  28          HG1       ARG  28  -5.887  12.985   8.288
  225   2HG   ARG  28          HG2       ARG  28  -5.157  11.695   7.330
  226   1HD   ARG  28          HD2       ARG  28  -3.380  12.972   6.980
  227   2HD   ARG  28          HD1       ARG  28  -4.399  14.148   6.151
  228    HE   ARG  28           HE       ARG  28  -4.096  14.231   9.075
  229   1HH1  ARG  28          HH11      ARG  28  -3.765  15.716   5.939
  230   2HH1  ARG  28          HH12      ARG  28  -3.397  17.283   6.577
  231   1HH2  ARG  28          HH21      ARG  28  -3.612  16.293   9.923
  232   2HH2  ARG  28          HH22      ARG  28  -3.310  17.611   8.841
  233    H    THR  29           HN       THR  29  -7.985  11.684   4.683
  234    HA   THR  29           HA       THR  29  -9.589   9.528   5.849
  235    HB   THR  29           HB       THR  29 -10.222  10.998   3.284
  236    HG1  THR  29           HG1      THR  29 -12.347  10.800   4.684
  237   1HG2  THR  29          HG21      THR  29 -11.827   8.704   4.323
  238   2HG2  THR  29          HG22      THR  29 -10.496   8.455   3.193
  239   3HG2  THR  29          HG23      THR  29 -11.865   9.467   2.733
  240    H    VAL  30           HN       VAL  30  -9.102   7.506   5.092
  241    HA   VAL  30           HA       VAL  30  -6.766   7.341   3.335
  242    HB   VAL  30           HB       VAL  30  -7.967   5.126   4.989
  243   1HG1  VAL  30          HG21      VAL  30  -6.580   3.939   3.681
  244   2HG1  VAL  30          HG22      VAL  30  -5.314   4.605   4.712
  245   3HG1  VAL  30          HG23      VAL  30  -5.683   5.367   3.165
  246   1HG2  VAL  30          HG11      VAL  30  -6.244   7.385   5.727
  247   2HG2  VAL  30          HG12      VAL  30  -5.681   5.804   6.269
  248   3HG2  VAL  30          HG13      VAL  30  -7.284   6.376   6.732
  249    H    ASN  31           HN       ASN  31  -7.166   7.046   1.266
  250    HA   ASN  31           HA       ASN  31  -9.593   5.655   0.421
  251   1HB   ASN  31          HB2       ASN  31  -8.764   7.905  -0.546
  252   2HB   ASN  31          HB1       ASN  31  -7.590   6.931  -1.427
  253   1HD2  ASN  31          HD22      ASN  31 -10.976   7.634  -0.985
  254   2HD2  ASN  31          HD21      ASN  31 -11.514   6.944  -2.476
  255    H    VAL  32           HN       VAL  32  -9.510   3.527   0.035
  256    HA   VAL  32           HA       VAL  32  -7.061   2.103  -0.182
  257    HB   VAL  32           HB       VAL  32  -8.287   0.139  -0.372
  258   1HG1  VAL  32          HG11      VAL  32  -9.122   2.091   1.481
  259   2HG1  VAL  32          HG12      VAL  32  -9.183   0.336   1.643
  260   3HG1  VAL  32          HG13      VAL  32 -10.562   1.209   0.974
  261   1HG2  VAL  32          HG21      VAL  32  -9.579   0.749  -2.373
  262   2HG2  VAL  32          HG22      VAL  32 -10.674   1.690  -1.360
  263   3HG2  VAL  32          HG23      VAL  32 -10.565  -0.059  -1.155
  264    H    LYS  33           HN       LYS  33  -7.328   0.326  -2.249
  265    HA   LYS  33           HA       LYS  33  -6.210   1.703  -4.399
  266   1HB   LYS  33          HB2       LYS  33  -6.914  -1.011  -3.774
  267   2HB   LYS  33          HB1       LYS  33  -7.382  -0.654  -5.431
  268   1HG   LYS  33          HG2       LYS  33  -4.641  -0.055  -4.360
  269   2HG   LYS  33          HG1       LYS  33  -5.069  -1.604  -5.089
  270   1HD   LYS  33          HD1       LYS  33  -5.894   0.666  -6.711
  271   2HD   LYS  33          HD2       LYS  33  -4.152   0.626  -6.429
  272   1HE   LYS  33          HE1       LYS  33  -4.076  -1.684  -7.232
  273   2HE   LYS  33          HE2       LYS  33  -5.816  -1.643  -7.514
  274   1HZ   LYS  33          HZ1       LYS  33  -3.674  -0.240  -8.973
  275   2HZ   LYS  33          HZ2       LYS  33  -5.253   0.367  -8.992
  276   3HZ   LYS  33          HZ3       LYS  33  -4.936  -1.187  -9.583
  277    H    ASP  34           HN       ASP  34  -7.242   1.218  -6.742
  278    HA   ASP  34           HA       ASP  34  -9.691   2.786  -6.768
  279   1HB   ASP  34          HB2       ASP  34  -7.633   3.159  -8.291
  280   2HB   ASP  34          HB1       ASP  34  -8.240   1.783  -9.208
  281    H    ARG  35           HN       ARG  35  -8.512  -0.343  -7.935
  282    HA   ARG  35           HA       ARG  35 -11.183  -1.147  -8.732
  283   1HB   ARG  35          HB1       ARG  35  -9.850  -3.405  -9.060
  284   2HB   ARG  35          HB2       ARG  35  -9.708  -2.089 -10.216
  285   1HG   ARG  35          HG2       ARG  35  -7.729  -1.469  -8.462
  286   2HG   ARG  35          HG1       ARG  35  -7.712  -3.233  -8.409
  287   1HD   ARG  35          HD2       ARG  35  -6.274  -1.953 -10.175
  288   2HD   ARG  35          HD1       ARG  35  -7.125  -3.432 -10.622
  289    HE   ARG  35           HE       ARG  35  -8.708  -2.130 -11.803
  290   1HH1  ARG  35          HH11      ARG  35  -6.089  -0.253 -10.477
  291   2HH1  ARG  35          HH12      ARG  35  -6.374   1.110 -11.507
  292   1HH2  ARG  35          HH22      ARG  35  -9.090  -0.341 -13.163
  293   2HH2  ARG  35          HH21      ARG  35  -8.079   1.060 -13.033
  294    H    ARG  36           HN       ARG  36  -9.335  -3.672  -7.359
  295    HA   ARG  36           HA       ARG  36 -11.328  -4.125  -5.344
  296   1HB   ARG  36          HB2       ARG  36  -8.723  -5.614  -5.555
  297   2HB   ARG  36          HB1       ARG  36 -10.274  -6.196  -4.963
  298   1HG   ARG  36          HG2       ARG  36 -10.405  -5.332  -7.730
  299   2HG   ARG  36          HG1       ARG  36  -9.215  -6.610  -7.474
  300   1HD   ARG  36          HD1       ARG  36 -11.339  -7.494  -5.998
  301   2HD   ARG  36          HD2       ARG  36 -12.137  -6.707  -7.359
  302    HE   ARG  36           HE       ARG  36 -10.015  -8.660  -7.882
  303   1HH1  ARG  36          HH12      ARG  36 -13.377  -7.751  -8.018
  304   2HH1  ARG  36          HH11      ARG  36 -13.808  -9.018  -9.117
  305   1HH2  ARG  36          HH21      ARG  36 -10.573 -10.331  -9.330
  306   2HH2  ARG  36          HH22      ARG  36 -12.214 -10.484  -9.862
  307    H    ILE  37           HN       ILE  37  -8.006  -4.721  -4.517
  308    HA   ILE  37           HA       ILE  37  -7.801  -2.445  -2.729
  309    HB   ILE  37           HB       ILE  37  -8.729  -5.034  -1.805
  310   1HG1  ILE  37          HG12      ILE  37  -9.578  -2.652  -1.338
  311   2HG1  ILE  37          HG11      ILE  37  -9.552  -3.788   0.005
  312   1HG2  ILE  37          HG21      ILE  37  -6.285  -5.323  -1.365
  313   2HG2  ILE  37          HG22      ILE  37  -7.307  -5.390   0.070
  314   3HG2  ILE  37          HG23      ILE  37  -6.376  -3.934  -0.281
  315   1HD1  ILE  37          HD11      ILE  37  -7.353  -2.781   0.674
  316   2HD1  ILE  37          HD12      ILE  37  -8.759  -1.726   0.826
  317   3HD1  ILE  37          HD13      ILE  37  -7.652  -1.530  -0.533
  318    H    PHE  38           HN       PHE  38  -5.691  -2.200  -1.839
  319    HA   PHE  38           HA       PHE  38  -3.635  -3.525  -3.428
  320   1HB   PHE  38          HB1       PHE  38  -3.861  -0.941  -2.824
  321   2HB   PHE  38          HB2       PHE  38  -2.968  -1.446  -1.393
  322    HD1  PHE  38           HD1      PHE  38  -2.727  -0.425  -4.770
  323    HD2  PHE  38           HD2      PHE  38  -0.794  -2.778  -1.798
  324    HE1  PHE  38           HE1      PHE  38  -0.625  -0.300  -6.043
  325    HE2  PHE  38           HE2      PHE  38   1.312  -2.657  -3.065
  326    HZ   PHE  38           HZ       PHE  38   1.398  -1.416  -5.192
  327    H    GLY  39           HN       GLY  39  -1.861  -4.599  -2.495
  328   1HA   GLY  39          HA1       GLY  39  -0.950  -6.161  -1.080
  329   2HA   GLY  39          HA2       GLY  39  -1.244  -4.943   0.153
  330    H    ARG  40           HN       ARG  40  -2.404  -7.875  -1.325
  331    HA   ARG  40           HA       ARG  40  -4.635  -8.051   0.550
  332   1HB   ARG  40          HB1       ARG  40  -4.482  -8.827  -2.030
  333   2HB   ARG  40          HB2       ARG  40  -3.995 -10.319  -1.242
  334   1HG   ARG  40          HG2       ARG  40  -6.378 -10.304  -1.680
  335   2HG   ARG  40          HG1       ARG  40  -6.056 -10.324   0.055
  336   1HD   ARG  40          HD1       ARG  40  -6.730  -8.127   0.339
  337   2HD   ARG  40          HD2       ARG  40  -6.479  -7.725  -1.359
  338    HE   ARG  40           HE       ARG  40  -8.782  -9.146  -0.233
  339   1HH1  ARG  40          HH12      ARG  40  -7.182  -7.676  -2.958
  340   2HH1  ARG  40          HH11      ARG  40  -8.605  -7.651  -3.944
  341   1HH2  ARG  40          HH21      ARG  40 -10.661  -9.117  -1.525
  342   2HH2  ARG  40          HH22      ARG  40 -10.582  -8.470  -3.131
  343    H    ALA  41           HN       ALA  41  -3.582  -8.321   2.494
  344    HA   ALA  41           HA       ALA  41  -1.635 -10.467   2.757
  345   1HB   ALA  41          HB1       ALA  41  -1.018  -8.423   3.798
  346   2HB   ALA  41          HB2       ALA  41  -1.395  -9.576   5.081
  347   3HB   ALA  41          HB3       ALA  41  -2.560  -8.319   4.651
  348    H    ASP  42           HN       ASP  42  -2.313 -12.449   3.166
  349    HA   ASP  42           HA       ASP  42  -4.874 -12.931   4.437
  350   1HB   ASP  42          HB2       ASP  42  -3.679 -14.288   2.499
  351   2HB   ASP  42          HB1       ASP  42  -2.924 -15.123   3.854
  352    H    ASP  43           HN       ASP  43  -1.463 -13.085   5.179
  353    HA   ASP  43           HA       ASP  43  -1.952 -14.305   7.783
  354   1HB   ASP  43          HB1       ASP  43   0.278 -14.163   5.986
  355   2HB   ASP  43          HB2       ASP  43   0.753 -13.489   7.541
  356    H    PHE  44           HN       PHE  44  -1.777 -13.260   9.713
  357    HA   PHE  44           HA       PHE  44  -2.268 -10.513   9.862
  358   1HB   PHE  44          HB2       PHE  44  -1.033 -12.212  12.038
  359   2HB   PHE  44          HB1       PHE  44  -1.954 -10.727  12.246
  360    HD1  PHE  44           HD1      PHE  44  -4.389 -10.829  11.166
  361    HD2  PHE  44           HD2      PHE  44  -2.109 -14.189  12.439
  362    HE1  PHE  44           HE1      PHE  44  -6.458 -12.140  11.398
  363    HE2  PHE  44           HE2      PHE  44  -4.174 -15.506  12.673
  364    HZ   PHE  44           HZ       PHE  44  -6.352 -14.482  12.153
  365    H    GLU  45           HN       GLU  45   0.744 -12.335  10.292
  366    HA   GLU  45           HA       GLU  45   2.361 -10.109  10.937
  367   1HB   GLU  45          HB1       GLU  45   2.755 -12.751  11.061
  368   2HB   GLU  45          HB2       GLU  45   3.562 -12.440   9.530
  369   1HG   GLU  45          HG2       GLU  45   4.931 -10.711  10.683
  370   2HG   GLU  45          HG1       GLU  45   4.206 -11.227  12.204
  371    H    GLU  46           HN       GLU  46   1.419 -11.587   7.895
  372    HA   GLU  46           HA       GLU  46   3.286 -10.210   6.261
  373   1HB   GLU  46          HB1       GLU  46   1.030 -12.004   5.888
  374   2HB   GLU  46          HB2       GLU  46   1.053 -10.733   4.673
  375   1HG   GLU  46          HG1       GLU  46   2.936 -11.507   3.695
  376   2HG   GLU  46          HG2       GLU  46   3.618 -12.090   5.212
  377    H    ALA  47           HN       ALA  47   0.172  -9.404   7.587
  378    HA   ALA  47           HA       ALA  47  -0.572  -7.301   5.902
  379   1HB   ALA  47          HB1       ALA  47  -1.449  -6.576   8.443
  380   2HB   ALA  47          HB2       ALA  47  -1.384  -8.339   8.470
  381   3HB   ALA  47          HB3       ALA  47  -2.337  -7.510   7.238
  382    H    SER  48           HN       SER  48   1.184  -7.164   9.001
  383    HA   SER  48           HA       SER  48   1.644  -4.414   9.018
  384   1HB   SER  48          HB2       SER  48   2.184  -6.478  10.730
  385   2HB   SER  48          HB1       SER  48   3.803  -6.047  10.178
  386    HG   SER  48           HG       SER  48   2.139  -3.939  10.869
  387    H    GLU  49           HN       GLU  49   3.496  -7.030   7.547
  388    HA   GLU  49           HA       GLU  49   5.745  -5.446   6.846
  389   1HB   GLU  49          HB2       GLU  49   4.894  -8.177   6.530
  390   2HB   GLU  49          HB1       GLU  49   5.534  -7.576   5.006
  391   1HG   GLU  49          HG2       GLU  49   7.642  -7.398   5.799
  392   2HG   GLU  49          HG1       GLU  49   7.115  -6.986   7.430
  393    H    LEU  50           HN       LEU  50   2.746  -6.275   5.201
  394    HA   LEU  50           HA       LEU  50   3.460  -5.224   2.670
  395   1HB   LEU  50          HB1       LEU  50   1.095  -6.334   3.951
  396   2HB   LEU  50          HB2       LEU  50   0.699  -5.019   2.861
  397    HG   LEU  50           HG       LEU  50   2.334  -7.433   2.076
  398   1HD1  LEU  50          HD11      LEU  50   0.313  -8.170   0.890
  399   2HD1  LEU  50          HD12      LEU  50  -0.588  -6.845   1.627
  400   3HD1  LEU  50          HD13      LEU  50   0.082  -8.125   2.638
  401   1HD2  LEU  50          HD21      LEU  50   1.096  -5.198   0.479
  402   2HD2  LEU  50          HD22      LEU  50   1.828  -6.647  -0.212
  403   3HD2  LEU  50          HD23      LEU  50   2.816  -5.513   0.710
  404    H    VAL  51           HN       VAL  51   1.649  -3.887   5.405
  405    HA   VAL  51           HA       VAL  51   1.020  -1.414   4.224
  406    HB   VAL  51           HB       VAL  51   1.394  -2.025   7.153
  407   1HG1  VAL  51          HG21      VAL  51   1.217   0.231   7.233
  408   2HG1  VAL  51          HG22      VAL  51  -0.503  -0.142   7.102
  409   3HG1  VAL  51          HG23      VAL  51   0.408   0.332   5.668
  410   1HG2  VAL  51          HG11      VAL  51  -0.209  -3.552   6.288
  411   2HG2  VAL  51          HG12      VAL  51  -1.000  -2.287   5.350
  412   3HG2  VAL  51          HG13      VAL  51  -1.106  -2.275   7.109
  413    H    ARG  52           HN       ARG  52   3.787  -2.460   6.170
  414    HA   ARG  52           HA       ARG  52   4.950   0.079   6.530
  415   1HB   ARG  52          HB1       ARG  52   5.549  -2.128   7.692
  416   2HB   ARG  52          HB2       ARG  52   6.512  -2.489   6.265
  417   1HG   ARG  52          HG2       ARG  52   7.763  -0.369   6.661
  418   2HG   ARG  52          HG1       ARG  52   6.881  -0.199   8.182
  419   1HD   ARG  52          HD1       ARG  52   9.145  -1.230   8.405
  420   2HD   ARG  52          HD2       ARG  52   7.825  -2.212   9.041
  421    HE   ARG  52           HE       ARG  52   8.454  -2.868   6.335
  422   1HH1  ARG  52          HH12      ARG  52   9.421  -3.363   9.646
  423   2HH1  ARG  52          HH11      ARG  52  10.172  -4.892   9.332
  424   1HH2  ARG  52          HH21      ARG  52   9.439  -4.880   5.913
  425   2HH2  ARG  52          HH22      ARG  52  10.182  -5.754   7.211
  426    H    LYS  53           HN       LYS  53   5.396  -2.389   4.028
  427    HA   LYS  53           HA       LYS  53   7.332  -0.922   2.545
  428   1HB   LYS  53          HB2       LYS  53   6.898  -3.405   2.364
  429   2HB   LYS  53          HB1       LYS  53   5.424  -3.015   1.488
  430   1HG   LYS  53          HG2       LYS  53   6.701  -1.959  -0.270
  431   2HG   LYS  53          HG1       LYS  53   8.198  -2.221   0.628
  432   1HD   LYS  53          HD1       LYS  53   7.823  -4.656   0.489
  433   2HD   LYS  53          HD2       LYS  53   6.375  -4.357  -0.475
  434   1HE   LYS  53          HE2       LYS  53   8.925  -3.131  -1.374
  435   2HE   LYS  53          HE1       LYS  53   8.724  -4.870  -1.589
  436   1HZ   LYS  53          HZ1       LYS  53   7.157  -2.671  -2.774
  437   2HZ   LYS  53          HZ2       LYS  53   6.493  -4.220  -2.637
  438   3HZ   LYS  53          HZ3       LYS  53   7.901  -3.981  -3.543
  439    H    LEU  54           HN       LEU  54   3.835  -1.111   2.577
  440    HA   LEU  54           HA       LEU  54   3.387   0.420   0.213
  441   1HB   LEU  54          HB1       LEU  54   1.797  -0.781   2.343
  442   2HB   LEU  54          HB2       LEU  54   1.165   0.772   1.834
  443    HG   LEU  54           HG       LEU  54   0.105  -1.089   0.641
  444   1HD1  LEU  54          HD11      LEU  54   0.371  -0.226  -1.615
  445   2HD1  LEU  54          HD12      LEU  54   1.851   0.605  -1.138
  446   3HD1  LEU  54          HD13      LEU  54   0.304   1.092  -0.445
  447   1HD2  LEU  54          HD21      LEU  54   2.784  -2.029   0.447
  448   2HD2  LEU  54          HD22      LEU  54   2.133  -1.827  -1.179
  449   3HD2  LEU  54          HD23      LEU  54   1.287  -2.842  -0.010
  450    H    GLN  55           HN       GLN  55   4.191   1.163   3.476
  451    HA   GLN  55           HA       GLN  55   3.163   3.794   3.610
  452   1HB   GLN  55          HB1       GLN  55   5.037   2.139   5.188
  453   2HB   GLN  55          HB2       GLN  55   5.235   3.878   5.342
  454   1HG   GLN  55          HG1       GLN  55   2.810   4.032   5.896
  455   2HG   GLN  55          HG2       GLN  55   2.760   2.270   5.919
  456   1HE2  GLN  55          HE22      GLN  55   1.974   3.317   8.150
  457   2HE2  GLN  55          HE21      GLN  55   3.179   3.255   9.387
  458    H    GLU  56           HN       GLU  56   5.157   5.453   4.352
  459    HA   GLU  56           HA       GLU  56   6.319   6.167   1.823
  460   1HB   GLU  56          HB1       GLU  56   5.755   7.470   4.324
  461   2HB   GLU  56          HB2       GLU  56   7.428   7.768   3.871
  462   1HG   GLU  56          HG1       GLU  56   6.221   9.535   2.941
  463   2HG   GLU  56          HG2       GLU  56   6.535   8.442   1.594
  464    H    GLU  57           HN       GLU  57   7.911   4.793   1.202
  465    HA   GLU  57           HA       GLU  57   9.884   3.789   3.016
  466   1HB   GLU  57          HB1       GLU  57   9.296   3.532   0.119
  467   2HB   GLU  57          HB2       GLU  57  10.963   3.261   0.608
  468   1HG   GLU  57          HG2       GLU  57   8.780   1.883   2.089
  469   2HG   GLU  57          HG1       GLU  57   9.253   1.288   0.498
  470    H    LYS  58           HN       LYS  58  11.993   4.404   3.280
  471    HA   LYS  58           HA       LYS  58  12.613   7.126   2.649
  472   1HB   LYS  58          HB1       LYS  58  14.544   5.148   3.830
  473   2HB   LYS  58          HB2       LYS  58  14.474   6.887   4.074
  474   1HG   LYS  58          HG2       LYS  58  12.011   5.894   4.962
  475   2HG   LYS  58          HG1       LYS  58  13.237   4.785   5.579
  476   1HD   LYS  58          HD1       LYS  58  13.984   6.281   7.059
  477   2HD   LYS  58          HD2       LYS  58  14.028   7.567   5.850
  478   1HE   LYS  58          HE1       LYS  58  11.438   6.643   7.044
  479   2HE   LYS  58          HE2       LYS  58  12.449   7.828   7.868
  480   1HZ   LYS  58          HZ1       LYS  58  11.132   8.077   5.231
  481   2HZ   LYS  58          HZ2       LYS  58  12.377   9.115   5.714
  482   3HZ   LYS  58          HZ3       LYS  58  10.935   9.056   6.596
  483    H    TYR  59           HN       TYR  59  14.874   7.654   1.818
  484    HA   TYR  59           HA       TYR  59  15.206   6.271  -0.721
  485   1HB   TYR  59          HB2       TYR  59  17.032   8.231  -0.871
  486   2HB   TYR  59          HB1       TYR  59  15.330   8.488  -1.238
  487    HD1  TYR  59           HD1      TYR  59  14.249  10.259  -0.229
  488    HD2  TYR  59           HD2      TYR  59  17.673   8.598   1.674
  489    HE1  TYR  59           HE1      TYR  59  14.135  12.012   1.492
  490    HE2  TYR  59           HE2      TYR  59  17.568  10.347   3.400
  491    HH   TYR  59           HH       TYR  59  16.413  12.067   4.213
  492    H    GLY  60           HN       GLY  60  15.956   4.593   1.239
  493   1HA   GLY  60          HA1       GLY  60  18.876   4.789   1.483
  494   2HA   GLY  60          HA2       GLY  60  17.839   3.704   2.395
  495    H    SER  61           HN       SER  61  16.358   2.645   0.233
  496    HA   SER  61           HA       SER  61  18.345   0.804  -0.822
  497   1HB   SER  61          HB2       SER  61  15.975   0.247   0.197
  498   2HB   SER  61          HB1       SER  61  15.425   0.581  -1.446
  499    HG   SER  61           HG       SER  61  16.588  -1.101  -2.195
  500    H    CYS  62           HN       CYS  62  17.141  -0.017  -3.169
  501    HA   CYS  62           HA       CYS  62  18.076   1.971  -4.987
  502   1HB   CYS  62          HB2       CYS  62  16.419  -0.322  -5.936
  503   2HB   CYS  62          HB1       CYS  62  17.894   0.355  -6.620
  504    HG   CYS  62           HG       CYS  62  17.799  -2.042  -4.905
  505    H    HIS  63           HN       HIS  63  16.906   3.098  -6.575
  506    HA   HIS  63           HA       HIS  63  14.134   3.661  -5.805
  507   1HB   HIS  63          HB2       HIS  63  14.399   5.724  -7.139
  508   2HB   HIS  63          HB1       HIS  63  15.621   5.594  -5.879
  509    HD2  HIS  63           HD2      HIS  63  15.352   6.088  -9.636
  510    HE1  HIS  63           HE1      HIS  63  19.402   5.223  -8.761
  511    HE2  HIS  63           HE2      HIS  63  17.785   6.035 -10.538
  512    H    PHE  64           HN       PHE  64  15.838   1.864  -8.027
  513    HA   PHE  64           HA       PHE  64  14.100   2.273 -10.294
  514   1HB   PHE  64          HB1       PHE  64  16.632   1.021  -9.809
  515   2HB   PHE  64          HB2       PHE  64  15.559  -0.144 -10.578
  516    HD1  PHE  64           HD1      PHE  64  15.197  -0.078 -12.871
  517    HD2  PHE  64           HD2      PHE  64  16.880   3.308 -10.919
  518    HE1  PHE  64           HE1      PHE  64  15.628   0.962 -15.058
  519    HE2  PHE  64           HE2      PHE  64  17.316   4.355 -13.103
  520    HZ   PHE  64           HZ       PHE  64  16.689   3.182 -15.175
  521    H    THR  65           HN       THR  65  12.349   1.120 -10.854
  522    HA   THR  65           HA       THR  65  11.421  -0.913  -8.968
  523    HB   THR  65           HB       THR  65   9.505  -0.347 -11.022
  524    HG1  THR  65           HG1      THR  65  10.798   1.611 -11.187
  525   1HG2  THR  65          HG21      THR  65   9.501   0.577  -8.165
  526   2HG2  THR  65          HG22      THR  65   8.998  -1.025  -8.701
  527   3HG2  THR  65          HG23      THR  65   8.112   0.403  -9.237
  528    H    ASN  66           HN       ASN  66  10.645  -2.939  -9.646
  529    HA   ASN  66           HA       ASN  66  12.153  -4.132 -11.752
  530   1HB   ASN  66          HB2       ASN  66  10.469  -5.021  -9.564
  531   2HB   ASN  66          HB1       ASN  66  10.132  -5.931 -11.034
  532   1HD2  ASN  66          HD22      ASN  66  11.292  -7.685 -11.270
  533   2HD2  ASN  66          HD21      ASN  66  12.883  -7.952 -10.650
  534    HA   PRO  67           HA       PRO  67   9.461  -3.632 -15.209
  535   1HB   PRO  67          HB2       PRO  67   9.799  -6.028 -16.487
  536   2HB   PRO  67          HB1       PRO  67  10.974  -4.710 -16.542
  537   1HG   PRO  67          HG1       PRO  67  10.957  -7.166 -14.831
  538   2HG   PRO  67          HG2       PRO  67  12.313  -6.403 -15.681
  539   1HD   PRO  67          HD1       PRO  67  11.927  -6.072 -13.038
  540   2HD   PRO  67          HD2       PRO  67  12.575  -4.772 -14.059
  541    H    SER  68           HN       SER  68   9.217  -6.791 -13.593
  542    HA   SER  68           HA       SER  68   6.491  -7.156 -14.470
  543   1HB   SER  68          HB1       SER  68   6.602  -9.293 -13.456
  544   2HB   SER  68          HB2       SER  68   8.216  -9.017 -14.108
  545    HG   SER  68           HG       SER  68   8.671  -9.612 -12.101
  546    H    LYS  69           HN       LYS  69   7.883  -5.325 -12.104
  547    HA   LYS  69           HA       LYS  69   5.854  -5.774 -10.073
  548   1HB   LYS  69          HB2       LYS  69   8.474  -4.553 -10.176
  549   2HB   LYS  69          HB1       LYS  69   7.314  -3.475  -9.413
  550   1HG   LYS  69          HG1       LYS  69   7.646  -6.345  -8.594
  551   2HG   LYS  69          HG2       LYS  69   8.576  -5.026  -7.880
  552   1HD   LYS  69          HD2       LYS  69   6.469  -3.926  -7.225
  553   2HD   LYS  69          HD1       LYS  69   5.570  -5.294  -7.884
  554   1HE   LYS  69          HE1       LYS  69   7.694  -5.732  -5.824
  555   2HE   LYS  69          HE2       LYS  69   6.082  -5.206  -5.342
  556   1HZ   LYS  69          HZ1       LYS  69   5.836  -7.455  -5.254
  557   2HZ   LYS  69          HZ2       LYS  69   6.933  -7.756  -6.506
  558   3HZ   LYS  69          HZ3       LYS  69   5.377  -7.197  -6.861
  559    H    ARG  70           HN       ARG  70   3.974  -5.153 -11.188
  560    HA   ARG  70           HA       ARG  70   3.752  -2.481 -12.262
  561   1HB   ARG  70          HB2       ARG  70   2.554  -4.660 -13.059
  562   2HB   ARG  70          HB1       ARG  70   1.413  -4.296 -11.772
  563   1HG   ARG  70          HG2       ARG  70   0.361  -3.179 -13.415
  564   2HG   ARG  70          HG1       ARG  70   1.499  -1.903 -12.975
  565   1HD   ARG  70          HD1       ARG  70   2.450  -1.978 -14.982
  566   2HD   ARG  70          HD2       ARG  70   2.717  -3.715 -14.840
  567    HE   ARG  70           HE       ARG  70   0.810  -4.092 -16.083
  568   1HH1  ARG  70          HH11      ARG  70   1.050  -0.717 -15.251
  569   2HH1  ARG  70          HH12      ARG  70  -0.206  -0.228 -16.336
  570   1HH2  ARG  70          HH21      ARG  70  -0.845  -3.457 -17.516
  571   2HH2  ARG  70          HH22      ARG  70  -1.284  -1.785 -17.625
  572    H    GLU  71           HN       GLU  71   4.333  -1.417 -10.227
  573    HA   GLU  71           HA       GLU  71   2.333  -1.494  -8.113
  574   1HB   GLU  71          HB2       GLU  71   5.083  -1.042  -8.162
  575   2HB   GLU  71          HB1       GLU  71   4.391   0.540  -7.827
  576   1HG   GLU  71          HG2       GLU  71   3.690  -0.050  -5.775
  577   2HG   GLU  71          HG1       GLU  71   3.275  -1.691  -6.269
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1 -10.245 -12.894   4.853
    2   2H    MET   1          HT2       MET   1 -10.450 -11.379   5.631
    3   3H    MET   1          HT3       MET   1  -9.890 -12.734   6.524
    4    HA   MET   1           HA       MET   1  -7.831 -12.488   5.881
    5   1HB   MET   1          HB1       MET   1  -9.094 -11.898   3.214
    6   2HB   MET   1          HB2       MET   1  -7.366 -11.687   3.462
    7   1HG   MET   1          HG1       MET   1  -7.651 -14.168   4.425
    8   2HG   MET   1          HG2       MET   1  -8.968 -14.151   3.254
    9   1HE   MET   1          HE1       MET   1  -8.541 -12.679   1.180
   10   2HE   MET   1          HE2       MET   1  -7.737 -13.720   0.006
   11   3HE   MET   1          HE3       MET   1  -6.938 -12.256   0.578
   12    H    TYR   2           HN       TYR   2  -6.289 -10.669   5.113
   13    HA   TYR   2           HA       TYR   2  -7.414  -8.121   6.049
   14   1HB   TYR   2          HB2       TYR   2  -4.702  -9.368   6.286
   15   2HB   TYR   2          HB1       TYR   2  -4.848  -7.614   6.320
   16    HD1  TYR   2           HD1      TYR   2  -5.035  -6.623   8.391
   17    HD2  TYR   2           HD2      TYR   2  -6.479 -10.593   7.891
   18    HE1  TYR   2           HE1      TYR   2  -5.605  -6.710  10.781
   19    HE2  TYR   2           HE2      TYR   2  -7.053 -10.691  10.279
   20    HH   TYR   2           HH       TYR   2  -5.893  -8.627  12.538
   21    H    ILE   3           HN       ILE   3  -6.788  -6.177   5.021
   22    HA   ILE   3           HA       ILE   3  -5.769  -6.482   2.274
   23    HB   ILE   3           HB       ILE   3  -7.348  -4.629   1.634
   24   1HG1  ILE   3          HG11      ILE   3  -9.006  -5.364   4.013
   25   2HG1  ILE   3          HG12      ILE   3  -7.728  -4.168   4.208
   26   1HG2  ILE   3          HG21      ILE   3  -7.698  -7.246   1.468
   27   2HG2  ILE   3          HG22      ILE   3  -8.948  -6.104   0.970
   28   3HG2  ILE   3          HG23      ILE   3  -9.044  -6.885   2.550
   29   1HD1  ILE   3          HD11      ILE   3  -9.960  -3.990   2.202
   30   2HD1  ILE   3          HD12      ILE   3  -8.729  -2.769   2.524
   31   3HD1  ILE   3          HD13      ILE   3  -9.921  -3.167   3.762
   32    H    ILE   4           HN       ILE   4  -4.910  -4.443   1.360
   33    HA   ILE   4           HA       ILE   4  -4.006  -2.564   3.440
   34    HB   ILE   4           HB       ILE   4  -2.388  -3.953   1.340
   35   1HG1  ILE   4          HG12      ILE   4  -0.779  -3.597   3.475
   36   2HG1  ILE   4          HG11      ILE   4  -2.346  -3.532   4.276
   37   1HG2  ILE   4          HG21      ILE   4  -0.680  -2.021   2.281
   38   2HG2  ILE   4          HG22      ILE   4  -2.177  -1.126   2.010
   39   3HG2  ILE   4          HG23      ILE   4  -1.445  -2.038   0.689
   40   1HD1  ILE   4          HD11      ILE   4  -1.686  -5.766   2.411
   41   2HD1  ILE   4          HD12      ILE   4  -2.858  -5.717   3.729
   42   3HD1  ILE   4          HD13      ILE   4  -1.132  -5.785   4.084
   43    H    PHE   5           HN       PHE   5  -3.754  -0.389   2.779
   44    HA   PHE   5           HA       PHE   5  -4.689   0.314   0.098
   45   1HB   PHE   5          HB1       PHE   5  -6.045   2.160   1.588
   46   2HB   PHE   5          HB2       PHE   5  -6.753   0.703   0.907
   47    HD1  PHE   5           HD1      PHE   5  -7.102  -1.290   2.330
   48    HD2  PHE   5           HD2      PHE   5  -5.796   2.432   3.922
   49    HE1  PHE   5           HE1      PHE   5  -7.747  -2.030   4.586
   50    HE2  PHE   5           HE2      PHE   5  -6.440   1.700   6.175
   51    HZ   PHE   5           HZ       PHE   5  -7.412  -0.529   6.511
   52    H    ARG   6           HN       ARG   6  -4.955   3.074   0.492
   53    HA   ARG   6           HA       ARG   6  -2.413   3.930   1.663
   54   1HB   ARG   6          HB2       ARG   6  -3.142   4.033  -1.228
   55   2HB   ARG   6          HB1       ARG   6  -2.220   5.371  -0.556
   56   1HG   ARG   6          HG1       ARG   6  -0.339   4.174  -0.454
   57   2HG   ARG   6          HG2       ARG   6  -1.168   2.745   0.167
   58   1HD   ARG   6          HD1       ARG   6  -0.618   1.904  -1.856
   59   2HD   ARG   6          HD2       ARG   6  -2.092   2.735  -2.348
   60    HE   ARG   6           HE       ARG   6   0.656   3.634  -2.840
   61   1HH1  ARG   6          HH22      ARG   6  -2.776   4.018  -3.310
   62   2HH1  ARG   6          HH21      ARG   6  -2.601   5.141  -4.617
   63   1HH2  ARG   6          HH11      ARG   6   0.894   5.112  -4.557
   64   2HH2  ARG   6          HH12      ARG   6  -0.515   5.763  -5.325
   65    H    CYS   7           HN       CYS   7  -2.553   5.822   2.691
   66    HA   CYS   7           HA       CYS   7  -5.050   7.231   2.730
   67   1HB   CYS   7          HB2       CYS   7  -3.530   6.863   4.732
   68   2HB   CYS   7          HB1       CYS   7  -2.467   8.083   4.035
   69    HG   CYS   7           HG       CYS   7  -4.895   8.655   5.668
   70    H    ASP   8           HN       ASP   8  -5.176   9.597   2.398
   71    HA   ASP   8           HA       ASP   8  -4.279  10.310  -0.155
   72   1HB   ASP   8          HB1       ASP   8  -5.649  11.719   2.080
   73   2HB   ASP   8          HB2       ASP   8  -4.910  12.722   0.834
   74    H    CYS   9           HN       CYS   9  -2.848  10.721   2.971
   75    HA   CYS   9           HA       CYS   9  -0.920  12.698   2.204
   76   1HB   CYS   9          HB1       CYS   9  -1.665  12.261   4.565
   77   2HB   CYS   9          HB2       CYS   9  -0.785  10.737   4.503
   78    HG   CYS   9           HG       CYS   9   1.425  12.188   4.217
   79    H    GLY  10           HN       GLY  10  -1.356   9.715   1.088
   80   1HA   GLY  10          HA1       GLY  10   0.052   8.464  -0.289
   81   2HA   GLY  10          HA2       GLY  10   1.420   9.400   0.300
   82    H    ARG  11           HN       ARG  11  -0.645   8.260   2.732
   83    HA   ARG  11           HA       ARG  11   1.426   6.511   3.743
   84   1HB   ARG  11          HB1       ARG  11  -1.310   6.988   4.924
   85   2HB   ARG  11          HB2       ARG  11   0.120   6.377   5.746
   86   1HG   ARG  11          HG2       ARG  11   0.174   9.089   4.500
   87   2HG   ARG  11          HG1       ARG  11  -0.609   8.848   6.065
   88   1HD   ARG  11          HD1       ARG  11   2.078   7.665   5.741
   89   2HD   ARG  11          HD2       ARG  11   2.000   9.425   5.785
   90    HE   ARG  11           HE       ARG  11   0.579   8.044   7.901
   91   1HH1  ARG  11          HH21      ARG  11   3.516   9.625   6.888
   92   2HH1  ARG  11          HH22      ARG  11   4.054   9.942   8.504
   93   1HH2  ARG  11          HH11      ARG  11   1.280   8.457  10.029
   94   2HH2  ARG  11          HH12      ARG  11   2.783   9.278  10.289
   95    H    ALA  12           HN       ALA  12   0.056   4.549   5.045
   96    HA   ALA  12           HA       ALA  12  -1.690   3.131   3.249
   97   1HB   ALA  12          HB1       ALA  12   1.093   2.721   2.988
   98   2HB   ALA  12          HB2       ALA  12  -0.219   1.839   2.206
   99   3HB   ALA  12          HB3       ALA  12   0.419   1.282   3.753
  100    H    LEU  13           HN       LEU  13  -2.774   1.408   4.272
  101    HA   LEU  13           HA       LEU  13  -1.974   0.745   7.002
  102   1HB   LEU  13          HB1       LEU  13  -4.461   2.197   6.249
  103   2HB   LEU  13          HB2       LEU  13  -4.551   1.013   7.537
  104    HG   LEU  13           HG       LEU  13  -2.417   3.096   7.666
  105   1HD1  LEU  13          HD21      LEU  13  -5.269   3.644   7.624
  106   2HD1  LEU  13          HD22      LEU  13  -3.900   4.756   7.574
  107   3HD1  LEU  13          HD23      LEU  13  -4.498   4.162   9.124
  108   1HD2  LEU  13          HD11      LEU  13  -3.761   2.640  10.108
  109   2HD2  LEU  13          HD12      LEU  13  -2.132   2.149   9.648
  110   3HD2  LEU  13          HD13      LEU  13  -3.494   1.069   9.351
  111    H    TYR  14           HN       TYR  14  -3.838  -0.829   7.905
  112    HA   TYR  14           HA       TYR  14  -4.568  -2.736   5.790
  113   1HB   TYR  14          HB2       TYR  14  -3.789  -4.604   7.214
  114   2HB   TYR  14          HB1       TYR  14  -2.473  -3.548   6.714
  115    HD1  TYR  14           HD1      TYR  14  -1.438  -2.000   8.347
  116    HD2  TYR  14           HD2      TYR  14  -4.367  -4.856   9.518
  117    HE1  TYR  14           HE1      TYR  14  -0.765  -1.719  10.695
  118    HE2  TYR  14           HE2      TYR  14  -3.700  -4.583  11.870
  119    HH   TYR  14           HH       TYR  14  -2.202  -3.683  13.268
  120    H    SER  15           HN       SER  15  -6.452  -3.868   6.144
  121    HA   SER  15           HA       SER  15  -7.766  -3.806   8.720
  122   1HB   SER  15          HB1       SER  15  -8.345  -1.612   7.545
  123   2HB   SER  15          HB2       SER  15  -9.236  -2.590   6.378
  124    HG   SER  15           HG       SER  15  -9.724  -2.977   9.106
  125    H    ARG  16           HN       ARG  16 -10.276  -4.585   8.065
  126    HA   ARG  16           HA       ARG  16  -9.848  -7.273   7.160
  127   1HB   ARG  16          HB2       ARG  16 -11.986  -5.769   8.472
  128   2HB   ARG  16          HB1       ARG  16 -12.584  -6.936   7.298
  129   1HG   ARG  16          HG2       ARG  16 -11.409  -8.724   8.423
  130   2HG   ARG  16          HG1       ARG  16 -10.693  -7.575   9.554
  131   1HD   ARG  16          HD2       ARG  16 -13.131  -6.951  10.116
  132   2HD   ARG  16          HD1       ARG  16 -13.540  -8.480   9.335
  133    HE   ARG  16           HE       ARG  16 -12.224  -9.606  11.017
  134   1HH1  ARG  16          HH12      ARG  16 -12.933  -6.248  11.624
  135   2HH1  ARG  16          HH11      ARG  16 -12.678  -6.370  13.332
  136   1HH2  ARG  16          HH21      ARG  16 -11.886  -9.776  13.265
  137   2HH2  ARG  16          HH22      ARG  16 -12.083  -8.376  14.266
  138    H    GLU  17           HN       GLU  17 -10.608  -8.261   5.318
  139    HA   GLU  17           HA       GLU  17 -10.560  -6.842   2.937
  140   1HB   GLU  17          HB1       GLU  17 -10.262  -9.333   3.266
  141   2HB   GLU  17          HB2       GLU  17 -12.014  -9.455   3.342
  142   1HG   GLU  17          HG2       GLU  17 -11.476  -7.992   1.029
  143   2HG   GLU  17          HG1       GLU  17 -10.288  -9.294   1.053
  144    H    GLY  18           HN       GLY  18 -11.918  -5.263   2.377
  145   1HA   GLY  18          HA2       GLY  18 -14.294  -5.284   1.348
  146   2HA   GLY  18          HA1       GLY  18 -14.774  -5.560   3.014
  147    H    ALA  19           HN       ALA  19 -12.139  -3.678   3.283
  148    HA   ALA  19           HA       ALA  19 -13.683  -1.345   3.899
  149   1HB   ALA  19          HB1       ALA  19 -10.730  -1.905   3.952
  150   2HB   ALA  19          HB2       ALA  19 -11.840  -1.788   5.316
  151   3HB   ALA  19          HB3       ALA  19 -11.423  -0.345   4.391
  152    H    LYS  20           HN       LYS  20 -14.361   0.064   2.450
  153    HA   LYS  20           HA       LYS  20 -13.025   0.294  -0.126
  154   1HB   LYS  20          HB2       LYS  20 -15.486   1.767   0.825
  155   2HB   LYS  20          HB1       LYS  20 -14.945   1.553  -0.834
  156   1HG   LYS  20          HG2       LYS  20 -16.599  -0.012  -0.737
  157   2HG   LYS  20          HG1       LYS  20 -15.215  -0.994  -0.252
  158   1HD   LYS  20          HD2       LYS  20 -16.417  -1.545   1.547
  159   2HD   LYS  20          HD1       LYS  20 -16.089   0.090   2.127
  160   1HE   LYS  20          HE1       LYS  20 -18.412  -0.149   2.290
  161   2HE   LYS  20          HE2       LYS  20 -18.156   0.793   0.822
  162   1HZ   LYS  20          HZ1       LYS  20 -19.670  -1.429   0.987
  163   2HZ   LYS  20          HZ2       LYS  20 -18.216  -2.054   0.392
  164   3HZ   LYS  20          HZ3       LYS  20 -19.009  -0.817  -0.445
  165    H    THR  21           HN       THR  21 -13.937   2.370   2.603
  166    HA   THR  21           HA       THR  21 -11.670   4.102   1.988
  167    HB   THR  21           HB       THR  21 -13.550   5.963   2.703
  168    HG1  THR  21           HG1      THR  21 -14.871   4.441   0.756
  169   1HG2  THR  21          HG21      THR  21 -13.752   6.385   0.176
  170   2HG2  THR  21          HG22      THR  21 -12.559   5.095   0.028
  171   3HG2  THR  21          HG23      THR  21 -12.175   6.549   0.950
  172    H    ARG  22           HN       ARG  22 -10.515   4.165   3.785
  173    HA   ARG  22           HA       ARG  22 -11.768   3.749   6.370
  174   1HB   ARG  22          HB1       ARG  22  -9.171   3.315   5.242
  175   2HB   ARG  22          HB2       ARG  22  -9.006   4.350   6.654
  176   1HG   ARG  22          HG1       ARG  22 -10.791   2.123   7.146
  177   2HG   ARG  22          HG2       ARG  22  -9.184   1.596   6.640
  178   1HD   ARG  22          HD1       ARG  22  -8.654   1.841   8.805
  179   2HD   ARG  22          HD2       ARG  22  -8.567   3.559   8.414
  180    HE   ARG  22           HE       ARG  22 -11.212   2.823   9.113
  181   1HH1  ARG  22          HH12      ARG  22  -8.073   3.441  10.494
  182   2HH1  ARG  22          HH11      ARG  22  -8.704   3.932  12.030
  183   1HH2  ARG  22          HH22      ARG  22 -12.050   3.470  11.132
  184   2HH2  ARG  22          HH21      ARG  22 -10.964   3.948  12.393
  185    H    LYS  23           HN       LYS  23 -10.245   5.222   8.085
  186    HA   LYS  23           HA       LYS  23 -10.325   8.002   7.248
  187   1HB   LYS  23          HB1       LYS  23 -12.618   7.620   7.978
  188   2HB   LYS  23          HB2       LYS  23 -12.047   6.939   9.495
  189   1HG   LYS  23          HG1       LYS  23 -11.280   9.034  10.262
  190   2HG   LYS  23          HG2       LYS  23 -11.452   9.762   8.664
  191   1HD   LYS  23          HD1       LYS  23 -13.852   9.591   8.790
  192   2HD   LYS  23          HD2       LYS  23 -13.745   8.705  10.312
  193   1HE   LYS  23          HE1       LYS  23 -13.656  10.595  11.474
  194   2HE   LYS  23          HE2       LYS  23 -12.305  11.181  10.504
  195   1HZ   LYS  23          HZ1       LYS  23 -14.621  12.408  10.551
  196   2HZ   LYS  23          HZ2       LYS  23 -14.971  11.307   9.316
  197   3HZ   LYS  23          HZ3       LYS  23 -13.664  12.370   9.156
  198    H    CYS  24           HN       CYS  24  -8.956   9.293   8.376
  199    HA   CYS  24           HA       CYS  24  -7.266   7.959  10.363
  200   1HB   CYS  24          HB2       CYS  24  -6.566   9.405   8.147
  201   2HB   CYS  24          HB1       CYS  24  -6.462  10.626   9.411
  202    HG   CYS  24           HG       CYS  24  -4.155   9.439   9.185
  203    H    VAL  25           HN       VAL  25  -7.552   8.414  12.430
  204    HA   VAL  25           HA       VAL  25  -9.401  10.367  13.318
  205    HB   VAL  25           HB       VAL  25  -7.353   9.223  15.170
  206   1HG1  VAL  25          HG11      VAL  25  -8.778  10.186  16.589
  207   2HG1  VAL  25          HG12      VAL  25  -9.905   8.890  16.189
  208   3HG1  VAL  25          HG13      VAL  25  -9.986  10.426  15.327
  209   1HG2  VAL  25          HG21      VAL  25  -9.385   7.696  13.608
  210   2HG2  VAL  25          HG22      VAL  25  -9.050   7.227  15.276
  211   3HG2  VAL  25          HG23      VAL  25  -7.751   7.236  14.084
  212    H    CYS  26           HN       CYS  26  -6.050  10.465  12.602
  213    HA   CYS  26           HA       CYS  26  -5.316  12.660  14.256
  214   1HB   CYS  26          HB2       CYS  26  -3.868  10.918  12.855
  215   2HB   CYS  26          HB1       CYS  26  -3.947  12.195  11.646
  216    HG   CYS  26           HG       CYS  26  -3.010  13.405  14.196
  217    H    GLY  27           HN       GLY  27  -7.152  12.377  11.394
  218   1HA   GLY  27          HA1       GLY  27  -8.488  14.404  10.886
  219   2HA   GLY  27          HA2       GLY  27  -6.978  15.299  10.981
  220    H    ARG  28           HN       ARG  28  -8.312  12.476   9.254
  221    HA   ARG  28           HA       ARG  28  -7.941  13.600   6.689
  222   1HB   ARG  28          HB2       ARG  28  -5.671  12.177   7.862
  223   2HB   ARG  28          HB1       ARG  28  -6.174  11.507   6.317
  224   1HG   ARG  28          HG1       ARG  28  -5.686  13.453   5.166
  225   2HG   ARG  28          HG2       ARG  28  -5.774  14.449   6.621
  226   1HD   ARG  28          HD2       ARG  28  -3.610  12.489   5.876
  227   2HD   ARG  28          HD1       ARG  28  -3.472  14.244   5.968
  228    HE   ARG  28           HE       ARG  28  -4.005  13.876   8.435
  229   1HH1  ARG  28          HH22      ARG  28  -2.274  11.589   6.455
  230   2HH1  ARG  28          HH21      ARG  28  -1.384  10.920   7.781
  231   1HH2  ARG  28          HH12      ARG  28  -2.836  13.001  10.186
  232   2HH2  ARG  28          HH11      ARG  28  -1.704  11.722   9.902
  233    H    THR  29           HN       THR  29  -7.686  11.476   5.077
  234    HA   THR  29           HA       THR  29  -9.494   9.377   6.004
  235    HB   THR  29           HB       THR  29  -9.990  11.058   3.537
  236    HG1  THR  29           HG1      THR  29 -11.789  11.741   4.609
  237   1HG2  THR  29          HG21      THR  29 -12.190   9.401   4.125
  238   2HG2  THR  29          HG22      THR  29 -10.758   8.375   4.038
  239   3HG2  THR  29          HG23      THR  29 -11.180   9.418   2.680
  240    H    VAL  30           HN       VAL  30  -8.913   7.412   5.256
  241    HA   VAL  30           HA       VAL  30  -6.704   7.315   3.342
  242    HB   VAL  30           HB       VAL  30  -7.756   5.049   5.027
  243   1HG1  VAL  30          HG21      VAL  30  -6.370   4.562   2.967
  244   2HG1  VAL  30          HG22      VAL  30  -5.749   3.922   4.488
  245   3HG1  VAL  30          HG23      VAL  30  -5.036   5.374   3.786
  246   1HG2  VAL  30          HG11      VAL  30  -6.934   6.174   6.774
  247   2HG2  VAL  30          HG12      VAL  30  -6.133   7.356   5.739
  248   3HG2  VAL  30          HG13      VAL  30  -5.343   5.821   6.100
  249    H    ASN  31           HN       ASN  31  -7.169   6.977   1.299
  250    HA   ASN  31           HA       ASN  31  -9.635   5.574   0.575
  251   1HB   ASN  31          HB1       ASN  31  -8.544   7.878  -0.410
  252   2HB   ASN  31          HB2       ASN  31  -7.973   6.696  -1.583
  253   1HD2  ASN  31          HD21      ASN  31  -9.438   5.640  -2.892
  254   2HD2  ASN  31          HD22      ASN  31 -11.081   6.153  -3.052
  255    H    VAL  32           HN       VAL  32  -9.543   3.468   0.087
  256    HA   VAL  32           HA       VAL  32  -7.078   2.095  -0.314
  257    HB   VAL  32           HB       VAL  32  -8.277   0.119  -0.500
  258   1HG1  VAL  32          HG11      VAL  32  -8.605   1.246   1.670
  259   2HG1  VAL  32          HG12      VAL  32  -9.933   0.163   1.252
  260   3HG1  VAL  32          HG13      VAL  32 -10.127   1.906   1.071
  261   1HG2  VAL  32          HG21      VAL  32  -9.667   0.760  -2.421
  262   2HG2  VAL  32          HG22      VAL  32 -10.732   1.657  -1.337
  263   3HG2  VAL  32          HG23      VAL  32 -10.590  -0.096  -1.185
  264    H    LYS  33           HN       LYS  33  -7.303   0.433  -2.420
  265    HA   LYS  33           HA       LYS  33  -6.457   1.959  -4.586
  266   1HB   LYS  33          HB2       LYS  33  -6.847  -0.804  -3.977
  267   2HB   LYS  33          HB1       LYS  33  -7.532  -0.487  -5.564
  268   1HG   LYS  33          HG2       LYS  33  -5.092  -1.223  -5.413
  269   2HG   LYS  33          HG1       LYS  33  -5.487   0.136  -6.466
  270   1HD   LYS  33          HD1       LYS  33  -4.958   1.300  -3.996
  271   2HD   LYS  33          HD2       LYS  33  -3.746   0.027  -4.151
  272   1HE   LYS  33          HE1       LYS  33  -3.132   2.315  -5.072
  273   2HE   LYS  33          HE2       LYS  33  -2.885   0.932  -6.137
  274   1HZ   LYS  33          HZ1       LYS  33  -5.476   2.217  -6.343
  275   2HZ   LYS  33          HZ2       LYS  33  -4.453   1.637  -7.559
  276   3HZ   LYS  33          HZ3       LYS  33  -4.165   3.151  -6.863
  277    H    ASP  34           HN       ASP  34  -7.585   1.489  -6.868
  278    HA   ASP  34           HA       ASP  34 -10.159   2.825  -6.684
  279   1HB   ASP  34          HB2       ASP  34  -8.066   2.502  -8.732
  280   2HB   ASP  34          HB1       ASP  34  -9.712   2.484  -9.360
  281    H    ARG  35           HN       ARG  35  -8.791  -0.174  -7.962
  282    HA   ARG  35           HA       ARG  35 -11.411  -1.166  -8.709
  283   1HB   ARG  35          HB2       ARG  35  -8.707  -2.521  -8.766
  284   2HB   ARG  35          HB1       ARG  35 -10.193  -3.184  -9.434
  285   1HG   ARG  35          HG1       ARG  35  -9.082  -0.552 -10.348
  286   2HG   ARG  35          HG2       ARG  35  -8.565  -2.087 -11.050
  287   1HD   ARG  35          HD1       ARG  35 -10.729  -2.565 -11.852
  288   2HD   ARG  35          HD2       ARG  35 -11.459  -1.301 -10.863
  289    HE   ARG  35           HE       ARG  35 -10.596   0.323 -12.361
  290   1HH1  ARG  35          HH12      ARG  35 -10.044  -2.962 -13.381
  291   2HH1  ARG  35          HH11      ARG  35  -9.742  -2.535 -15.033
  292   1HH2  ARG  35          HH22      ARG  35 -10.199   0.895 -14.532
  293   2HH2  ARG  35          HH21      ARG  35  -9.830  -0.342 -15.687
  294    H    ARG  36           HN       ARG  36  -9.422  -3.615  -7.458
  295    HA   ARG  36           HA       ARG  36 -11.305  -4.182  -5.365
  296   1HB   ARG  36          HB2       ARG  36  -8.665  -5.570  -5.804
  297   2HB   ARG  36          HB1       ARG  36 -10.115  -6.214  -5.046
  298   1HG   ARG  36          HG2       ARG  36 -10.744  -5.400  -7.707
  299   2HG   ARG  36          HG1       ARG  36  -9.307  -6.426  -7.735
  300   1HD   ARG  36          HD2       ARG  36 -10.458  -8.172  -6.562
  301   2HD   ARG  36          HD1       ARG  36 -11.861  -7.136  -6.304
  302    HE   ARG  36           HE       ARG  36 -11.260  -8.657  -8.640
  303   1HH1  ARG  36          HH12      ARG  36 -12.782  -5.732  -7.516
  304   2HH1  ARG  36          HH11      ARG  36 -13.868  -5.627  -8.861
  305   1HH2  ARG  36          HH22      ARG  36 -12.687  -8.526 -10.416
  306   2HH2  ARG  36          HH21      ARG  36 -13.814  -7.214 -10.509
  307    H    ILE  37           HN       ILE  37  -7.981  -4.776  -4.627
  308    HA   ILE  37           HA       ILE  37  -7.699  -2.493  -2.865
  309    HB   ILE  37           HB       ILE  37  -8.638  -5.076  -1.896
  310   1HG1  ILE  37          HG12      ILE  37  -9.477  -2.653  -1.497
  311   2HG1  ILE  37          HG11      ILE  37  -9.527  -3.799  -0.163
  312   1HG2  ILE  37          HG21      ILE  37  -7.217  -5.320   0.022
  313   2HG2  ILE  37          HG22      ILE  37  -6.274  -3.903  -0.439
  314   3HG2  ILE  37          HG23      ILE  37  -6.220  -5.362  -1.431
  315   1HD1  ILE  37          HD11      ILE  37  -7.379  -2.841   0.648
  316   2HD1  ILE  37          HD12      ILE  37  -8.738  -1.717   0.667
  317   3HD1  ILE  37          HD13      ILE  37  -7.522  -1.607  -0.605
  318    H    PHE  38           HN       PHE  38  -5.567  -2.270  -2.039
  319    HA   PHE  38           HA       PHE  38  -3.573  -3.723  -3.600
  320   1HB   PHE  38          HB1       PHE  38  -3.710  -1.111  -3.162
  321   2HB   PHE  38          HB2       PHE  38  -2.840  -1.541  -1.694
  322    HD1  PHE  38           HD1      PHE  38  -0.563  -2.256  -1.763
  323    HD2  PHE  38           HD2      PHE  38  -2.697  -1.473  -5.360
  324    HE1  PHE  38           HE1      PHE  38   1.552  -2.287  -3.020
  325    HE2  PHE  38           HE2      PHE  38  -0.586  -1.502  -6.623
  326    HZ   PHE  38           HZ       PHE  38   1.542  -1.910  -5.453
  327    H    GLY  39           HN       GLY  39  -1.718  -4.668  -2.584
  328   1HA   GLY  39          HA1       GLY  39  -0.815  -6.171  -1.099
  329   2HA   GLY  39          HA2       GLY  39  -1.178  -4.932   0.093
  330    H    ARG  40           HN       ARG  40  -2.275  -7.897  -1.396
  331    HA   ARG  40           HA       ARG  40  -4.545  -8.065   0.428
  332   1HB   ARG  40          HB1       ARG  40  -4.183  -8.931  -2.173
  333   2HB   ARG  40          HB2       ARG  40  -4.013 -10.406  -1.234
  334   1HG   ARG  40          HG2       ARG  40  -6.313 -10.030  -1.993
  335   2HG   ARG  40          HG1       ARG  40  -6.180 -10.080  -0.235
  336   1HD   ARG  40          HD1       ARG  40  -6.435  -7.756  -0.039
  337   2HD   ARG  40          HD2       ARG  40  -6.120  -7.493  -1.754
  338    HE   ARG  40           HE       ARG  40  -8.618  -8.431  -0.564
  339   1HH1  ARG  40          HH11      ARG  40  -6.782  -7.600  -3.407
  340   2HH1  ARG  40          HH12      ARG  40  -8.175  -7.475  -4.428
  341   1HH2  ARG  40          HH22      ARG  40 -10.459  -8.268  -1.903
  342   2HH2  ARG  40          HH21      ARG  40 -10.264  -7.853  -3.574
  343    H    ALA  41           HN       ALA  41  -3.540  -8.340   2.391
  344    HA   ALA  41           HA       ALA  41  -1.662 -10.543   2.721
  345   1HB   ALA  41          HB1       ALA  41  -1.468  -9.631   5.053
  346   2HB   ALA  41          HB2       ALA  41  -2.547  -8.325   4.552
  347   3HB   ALA  41          HB3       ALA  41  -0.982  -8.527   3.765
  348    H    ASP  42           HN       ASP  42  -2.294 -12.488   3.353
  349    HA   ASP  42           HA       ASP  42  -4.990 -12.923   4.305
  350   1HB   ASP  42          HB1       ASP  42  -4.125 -14.552   2.765
  351   2HB   ASP  42          HB2       ASP  42  -2.682 -14.796   3.744
  352    H    ASP  43           HN       ASP  43  -1.701 -13.074   5.550
  353    HA   ASP  43           HA       ASP  43  -2.616 -13.890   8.191
  354   1HB   ASP  43          HB2       ASP  43  -0.148 -14.038   6.741
  355   2HB   ASP  43          HB1       ASP  43   0.127 -13.156   8.240
  356    H    PHE  44           HN       PHE  44  -2.880 -12.545   9.889
  357    HA   PHE  44           HA       PHE  44  -3.154  -9.793   9.547
  358   1HB   PHE  44          HB2       PHE  44  -3.155  -9.683  12.050
  359   2HB   PHE  44          HB1       PHE  44  -4.260 -10.881  11.385
  360    HD1  PHE  44           HD1      PHE  44  -3.815 -13.259  11.627
  361    HD2  PHE  44           HD2      PHE  44  -1.237 -10.334  13.333
  362    HE1  PHE  44           HE1      PHE  44  -2.793 -14.991  13.044
  363    HE2  PHE  44           HE2      PHE  44  -0.210 -12.061  14.753
  364    HZ   PHE  44           HZ       PHE  44  -0.988 -14.394  14.609
  365    H    GLU  45           HN       GLU  45  -0.402 -11.711  10.586
  366    HA   GLU  45           HA       GLU  45   1.237  -9.543  11.404
  367   1HB   GLU  45          HB2       GLU  45   1.424 -12.227  11.654
  368   2HB   GLU  45          HB1       GLU  45   2.535 -11.973  10.317
  369   1HG   GLU  45          HG2       GLU  45   3.448 -10.078  11.926
  370   2HG   GLU  45          HG1       GLU  45   2.746 -11.136  13.149
  371    H    GLU  46           HN       GLU  46   0.709 -11.196   8.347
  372    HA   GLU  46           HA       GLU  46   2.859 -10.018   6.937
  373   1HB   GLU  46          HB1       GLU  46   0.618 -11.749   6.350
  374   2HB   GLU  46          HB2       GLU  46   0.822 -10.548   5.081
  375   1HG   GLU  46          HG1       GLU  46   2.412 -11.814   4.217
  376   2HG   GLU  46          HG2       GLU  46   3.392 -11.486   5.645
  377    H    ALA  47           HN       ALA  47  -0.322  -8.923   7.777
  378    HA   ALA  47           HA       ALA  47  -0.700  -6.922   5.851
  379   1HB   ALA  47          HB1       ALA  47  -2.498  -7.621   7.305
  380   2HB   ALA  47          HB2       ALA  47  -2.218  -5.891   7.501
  381   3HB   ALA  47          HB3       ALA  47  -1.629  -7.022   8.718
  382    H    SER  48           HN       SER  48   0.857  -6.806   9.038
  383    HA   SER  48           HA       SER  48   1.465  -4.077   9.065
  384   1HB   SER  48          HB2       SER  48   3.126  -6.265  10.332
  385   2HB   SER  48          HB1       SER  48   3.002  -4.583  10.846
  386    HG   SER  48           HG       SER  48   1.696  -5.932  12.128
  387    H    GLU  49           HN       GLU  49   3.382  -6.836   7.894
  388    HA   GLU  49           HA       GLU  49   5.652  -5.310   7.215
  389   1HB   GLU  49          HB1       GLU  49   6.530  -7.278   6.383
  390   2HB   GLU  49          HB2       GLU  49   5.376  -7.866   7.560
  391   1HG   GLU  49          HG1       GLU  49   4.482  -9.125   5.986
  392   2HG   GLU  49          HG2       GLU  49   3.976  -7.661   5.144
  393    H    LEU  50           HN       LEU  50   2.750  -6.173   5.447
  394    HA   LEU  50           HA       LEU  50   3.685  -5.371   2.884
  395   1HB   LEU  50          HB1       LEU  50   1.171  -6.267   4.071
  396   2HB   LEU  50          HB2       LEU  50   0.943  -5.075   2.805
  397    HG   LEU  50           HG       LEU  50   2.338  -6.527   1.298
  398   1HD1  LEU  50          HD21      LEU  50   3.076  -8.603   1.904
  399   2HD1  LEU  50          HD22      LEU  50   1.844  -8.800   3.150
  400   3HD1  LEU  50          HD23      LEU  50   3.238  -7.761   3.446
  401   1HD2  LEU  50          HD11      LEU  50  -0.023  -6.561   1.029
  402   2HD2  LEU  50          HD12      LEU  50  -0.232  -7.592   2.446
  403   3HD2  LEU  50          HD13      LEU  50   0.531  -8.235   0.992
  404    H    VAL  51           HN       VAL  51   1.820  -3.754   5.415
  405    HA   VAL  51           HA       VAL  51   1.287  -1.380   4.023
  406    HB   VAL  51           HB       VAL  51   1.508  -1.905   6.983
  407   1HG1  VAL  51          HG21      VAL  51  -0.079   0.394   6.105
  408   2HG1  VAL  51          HG22      VAL  51   1.659   0.574   5.874
  409   3HG1  VAL  51          HG23      VAL  51   1.015   0.226   7.477
  410   1HG2  VAL  51          HG11      VAL  51  -0.287  -3.147   6.122
  411   2HG2  VAL  51          HG12      VAL  51  -0.773  -1.848   5.032
  412   3HG2  VAL  51          HG13      VAL  51  -1.022  -1.682   6.770
  413    H    ARG  52           HN       ARG  52   3.939  -2.196   6.271
  414    HA   ARG  52           HA       ARG  52   5.133   0.345   6.264
  415   1HB   ARG  52          HB2       ARG  52   7.106  -0.726   7.167
  416   2HB   ARG  52          HB1       ARG  52   5.676  -1.436   7.901
  417   1HG   ARG  52          HG2       ARG  52   6.595  -3.399   7.416
  418   2HG   ARG  52          HG1       ARG  52   6.124  -3.073   5.747
  419   1HD   ARG  52          HD2       ARG  52   8.475  -3.718   5.900
  420   2HD   ARG  52          HD1       ARG  52   8.296  -2.065   5.313
  421    HE   ARG  52           HE       ARG  52   8.729  -2.349   8.165
  422   1HH1  ARG  52          HH22      ARG  52  10.147  -1.811   5.027
  423   2HH1  ARG  52          HH21      ARG  52  11.583  -1.079   5.660
  424   1HH2  ARG  52          HH11      ARG  52  10.616  -1.387   9.005
  425   2HH2  ARG  52          HH12      ARG  52  11.850  -0.839   7.921
  426    H    LYS  53           HN       LYS  53   5.491  -2.421   4.117
  427    HA   LYS  53           HA       LYS  53   7.624  -1.319   2.575
  428   1HB   LYS  53          HB2       LYS  53   6.615  -3.786   2.719
  429   2HB   LYS  53          HB1       LYS  53   5.673  -3.212   1.349
  430   1HG   LYS  53          HG2       LYS  53   7.406  -3.364  -0.039
  431   2HG   LYS  53          HG1       LYS  53   8.502  -2.588   1.106
  432   1HD   LYS  53          HD2       LYS  53   7.644  -5.360   1.712
  433   2HD   LYS  53          HD1       LYS  53   8.768  -5.136   0.369
  434   1HE   LYS  53          HE1       LYS  53   9.314  -3.776   2.965
  435   2HE   LYS  53          HE2       LYS  53   9.648  -5.501   2.814
  436   1HZ   LYS  53          HZ1       LYS  53  11.450  -5.096   1.599
  437   2HZ   LYS  53          HZ2       LYS  53  11.311  -3.478   2.069
  438   3HZ   LYS  53          HZ3       LYS  53  10.651  -3.991   0.599
  439    H    LEU  54           HN       LEU  54   4.134  -1.191   2.509
  440    HA   LEU  54           HA       LEU  54   3.846   0.065  -0.025
  441   1HB   LEU  54          HB1       LEU  54   2.157  -0.764   2.161
  442   2HB   LEU  54          HB2       LEU  54   1.709   0.847   1.638
  443    HG   LEU  54           HG       LEU  54   0.392  -0.912   0.526
  444   1HD1  LEU  54          HD11      LEU  54   0.915  -0.166  -1.849
  445   2HD1  LEU  54          HD12      LEU  54   2.200   0.809  -1.138
  446   3HD1  LEU  54          HD13      LEU  54   0.520   1.092  -0.678
  447   1HD2  LEU  54          HD21      LEU  54   2.888  -2.186   0.291
  448   2HD2  LEU  54          HD22      LEU  54   2.345  -1.823  -1.348
  449   3HD2  LEU  54          HD23      LEU  54   1.316  -2.762  -0.265
  450    H    GLN  55           HN       GLN  55   4.738   1.166   3.113
  451    HA   GLN  55           HA       GLN  55   3.974   3.876   2.877
  452   1HB   GLN  55          HB1       GLN  55   5.803   2.327   4.643
  453   2HB   GLN  55          HB2       GLN  55   5.981   4.075   4.607
  454   1HG   GLN  55          HG1       GLN  55   3.486   4.182   5.076
  455   2HG   GLN  55          HG2       GLN  55   3.594   2.461   5.440
  456   1HE2  GLN  55          HE22      GLN  55   2.852   4.589   7.218
  457   2HE2  GLN  55          HE21      GLN  55   3.998   4.587   8.512
  458    H    GLU  56           HN       GLU  56   6.032   5.479   3.327
  459    HA   GLU  56           HA       GLU  56   7.303   5.647   0.752
  460   1HB   GLU  56          HB2       GLU  56   6.562   7.475   2.717
  461   2HB   GLU  56          HB1       GLU  56   8.320   7.490   2.759
  462   1HG   GLU  56          HG1       GLU  56   7.464   7.549   0.043
  463   2HG   GLU  56          HG2       GLU  56   6.603   8.794   0.948
  464    H    GLU  57           HN       GLU  57   8.837   4.116   0.460
  465    HA   GLU  57           HA       GLU  57  10.683   3.349   2.501
  466   1HB   GLU  57          HB1       GLU  57  10.475   2.768  -0.447
  467   2HB   GLU  57          HB2       GLU  57  11.841   2.205   0.507
  468   1HG   GLU  57          HG2       GLU  57  10.473   0.830   1.843
  469   2HG   GLU  57          HG1       GLU  57   8.998   1.592   1.246
  470    H    LYS  58           HN       LYS  58  12.603   4.186   2.997
  471    HA   LYS  58           HA       LYS  58  13.483   6.582   1.696
  472   1HB   LYS  58          HB2       LYS  58  15.253   6.588   3.416
  473   2HB   LYS  58          HB1       LYS  58  13.652   6.388   4.114
  474   1HG   LYS  58          HG1       LYS  58  14.092   4.314   4.873
  475   2HG   LYS  58          HG2       LYS  58  15.099   3.901   3.485
  476   1HD   LYS  58          HD1       LYS  58  16.899   5.313   4.406
  477   2HD   LYS  58          HD2       LYS  58  15.894   5.640   5.818
  478   1HE   LYS  58          HE2       LYS  58  16.997   2.979   4.934
  479   2HE   LYS  58          HE1       LYS  58  17.448   3.898   6.369
  480   1HZ   LYS  58          HZ1       LYS  58  15.992   2.402   7.255
  481   2HZ   LYS  58          HZ2       LYS  58  15.037   2.310   5.863
  482   3HZ   LYS  58          HZ3       LYS  58  14.914   3.652   6.886
  483    H    TYR  59           HN       TYR  59  16.288   6.299   2.007
  484    HA   TYR  59           HA       TYR  59  16.870   4.816  -0.424
  485   1HB   TYR  59          HB1       TYR  59  18.171   6.981   1.120
  486   2HB   TYR  59          HB2       TYR  59  19.259   5.866   0.301
  487    HD1  TYR  59           HD1      TYR  59  16.490   8.258  -0.223
  488    HD2  TYR  59           HD2      TYR  59  19.565   5.955  -2.048
  489    HE1  TYR  59           HE1      TYR  59  16.147   9.481  -2.328
  490    HE2  TYR  59           HE2      TYR  59  19.231   7.172  -4.160
  491    HH   TYR  59           HH       TYR  59  17.479   8.462  -5.285
  492    H    GLY  60           HN       GLY  60  18.551   5.115   2.715
  493   1HA   GLY  60          HA2       GLY  60  18.537   2.496   3.510
  494   2HA   GLY  60          HA1       GLY  60  19.863   2.589   2.362
  495    H    SER  61           HN       SER  61  19.043   2.831   5.561
  496    HA   SER  61           HA       SER  61  21.081   4.776   6.280
  497   1HB   SER  61          HB1       SER  61  20.294   4.510   8.549
  498   2HB   SER  61          HB2       SER  61  18.887   4.640   7.494
  499    HG   SER  61           HG       SER  61  18.544   2.469   7.685
  500    H    CYS  62           HN       CYS  62  21.979   3.625   8.682
  501    HA   CYS  62           HA       CYS  62  23.698   2.362   9.470
  502   1HB   CYS  62          HB2       CYS  62  21.762   0.618   8.601
  503   2HB   CYS  62          HB1       CYS  62  23.189   0.032   7.755
  504    HG   CYS  62           HG       CYS  62  23.287   0.336  10.840
  505    H    HIS  63           HN       HIS  63  25.052   0.207   7.965
  506    HA   HIS  63           HA       HIS  63  27.055   1.792   6.724
  507   1HB   HIS  63          HB2       HIS  63  26.840  -1.163   6.267
  508   2HB   HIS  63          HB1       HIS  63  28.279  -0.177   6.502
  509    HD2  HIS  63           HD2      HIS  63  27.174  -2.904   8.314
  510    HE1  HIS  63           HE1      HIS  63  27.434   0.004  11.378
  511    HE2  HIS  63           HE2      HIS  63  27.284  -2.477  10.870
  512    H    PHE  64           HN       PHE  64  27.679   0.004   4.520
  513    HA   PHE  64           HA       PHE  64  26.012   1.249   2.516
  514   1HB   PHE  64          HB1       PHE  64  28.363  -0.642   2.273
  515   2HB   PHE  64          HB2       PHE  64  27.559   0.133   0.912
  516    HD1  PHE  64           HD1      PHE  64  29.798   0.611   3.753
  517    HD2  PHE  64           HD2      PHE  64  27.829   2.501   0.488
  518    HE1  PHE  64           HE1      PHE  64  31.277   2.563   3.995
  519    HE2  PHE  64           HE2      PHE  64  29.304   4.456   0.724
  520    HZ   PHE  64           HZ       PHE  64  31.031   4.489   2.480
  521    H    THR  65           HN       THR  65  24.553  -0.514   4.123
  522    HA   THR  65           HA       THR  65  24.159  -2.909   2.491
  523    HB   THR  65           HB       THR  65  22.409  -2.571   4.815
  524    HG1  THR  65           HG1      THR  65  24.064  -1.578   5.820
  525   1HG2  THR  65          HG21      THR  65  23.944  -4.677   3.527
  526   2HG2  THR  65          HG22      THR  65  22.438  -4.759   4.442
  527   3HG2  THR  65          HG23      THR  65  23.985  -4.746   5.289
  528    H    ASN  66           HN       ASN  66  23.335  -1.409   0.766
  529    HA   ASN  66           HA       ASN  66  20.866  -0.058   1.078
  530   1HB   ASN  66          HB2       ASN  66  22.356  -1.048  -1.354
  531   2HB   ASN  66          HB1       ASN  66  20.836  -0.166  -1.467
  532   1HD2  ASN  66          HD21      ASN  66  24.162   0.018  -0.365
  533   2HD2  ASN  66          HD22      ASN  66  24.283   1.741  -0.426
  534    HA   PRO  67           HA       PRO  67  17.790  -3.209   0.951
  535   1HB   PRO  67          HB1       PRO  67  16.051  -2.146  -0.931
  536   2HB   PRO  67          HB2       PRO  67  16.067  -1.735   0.787
  537   1HG   PRO  67          HG2       PRO  67  17.272  -0.277  -1.526
  538   2HG   PRO  67          HG1       PRO  67  16.452   0.371  -0.093
  539   1HD   PRO  67          HD1       PRO  67  19.121   0.422  -0.314
  540   2HD   PRO  67          HD2       PRO  67  18.330   0.118   1.249
  541    H    SER  68           HN       SER  68  18.767  -1.941  -2.219
  542    HA   SER  68           HA       SER  68  18.103  -4.419  -3.551
  543   1HB   SER  68          HB2       SER  68  19.436  -3.098  -5.451
  544   2HB   SER  68          HB1       SER  68  17.765  -2.703  -5.044
  545    HG   SER  68           HG       SER  68  19.573  -0.987  -5.103
  546    H    LYS  69           HN       LYS  69  20.872  -2.932  -2.108
  547    HA   LYS  69           HA       LYS  69  22.747  -4.741  -3.391
  548   1HB   LYS  69          HB1       LYS  69  22.926  -2.319  -1.702
  549   2HB   LYS  69          HB2       LYS  69  24.215  -3.495  -1.486
  550   1HG   LYS  69          HG2       LYS  69  24.935  -3.291  -3.699
  551   2HG   LYS  69          HG1       LYS  69  23.434  -2.512  -4.207
  552   1HD   LYS  69          HD1       LYS  69  24.699  -0.643  -4.056
  553   2HD   LYS  69          HD2       LYS  69  24.242  -0.750  -2.355
  554   1HE   LYS  69          HE1       LYS  69  26.356  -2.173  -2.078
  555   2HE   LYS  69          HE2       LYS  69  26.822  -1.551  -3.661
  556   1HZ   LYS  69          HZ1       LYS  69  26.695  -0.188  -1.096
  557   2HZ   LYS  69          HZ2       LYS  69  26.181   0.708  -2.435
  558   3HZ   LYS  69          HZ3       LYS  69  27.741   0.056  -2.402
  559    H    ARG  70           HN       ARG  70  22.155  -6.772  -2.649
  560    HA   ARG  70           HA       ARG  70  21.937  -7.292   0.185
  561   1HB   ARG  70          HB2       ARG  70  21.047  -8.560  -2.160
  562   2HB   ARG  70          HB1       ARG  70  22.191  -9.674  -1.427
  563   1HG   ARG  70          HG1       ARG  70  20.894 -10.011   0.426
  564   2HG   ARG  70          HG2       ARG  70  20.113  -8.433   0.299
  565   1HD   ARG  70          HD1       ARG  70  19.133  -9.431  -1.912
  566   2HD   ARG  70          HD2       ARG  70  19.512 -10.974  -1.148
  567    HE   ARG  70           HE       ARG  70  17.435  -9.118  -0.393
  568   1HH1  ARG  70          HH11      ARG  70  19.419 -11.806   0.599
  569   2HH1  ARG  70          HH12      ARG  70  18.321 -12.327   1.833
  570   1HH2  ARG  70          HH21      ARG  70  15.985  -9.797   1.230
  571   2HH2  ARG  70          HH22      ARG  70  16.370 -11.185   2.192
  572    H    GLU  71           HN       GLU  71  23.369  -8.445   1.450
  573    HA   GLU  71           HA       GLU  71  26.123  -8.421   0.513
  574   1HB   GLU  71          HB1       GLU  71  25.484  -7.474   2.737
  575   2HB   GLU  71          HB2       GLU  71  25.054  -9.098   3.259
  576   1HG   GLU  71          HG1       GLU  71  27.312  -9.834   3.075
  577   2HG   GLU  71          HG2       GLU  71  27.796  -8.329   2.295
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1  -8.155 -13.196   7.347
    2   2H    MET   1          HT2       MET   1  -8.828 -14.006   5.993
    3   3H    MET   1          HT3       MET   1  -9.476 -12.501   6.502
    4    HA   MET   1           HA       MET   1  -6.689 -12.808   5.649
    5   1HB   MET   1          HB2       MET   1  -7.450 -12.041   3.425
    6   2HB   MET   1          HB1       MET   1  -8.101 -13.619   3.842
    7   1HG   MET   1          HG2       MET   1  -9.701 -11.168   4.409
    8   2HG   MET   1          HG1       MET   1  -9.626 -11.810   2.768
    9   1HE   MET   1          HE1       MET   1  -9.755 -14.234   2.327
   10   2HE   MET   1          HE2       MET   1 -11.502 -14.112   2.119
   11   3HE   MET   1          HE3       MET   1 -10.821 -15.382   3.137
   12    H    TYR   2           HN       TYR   2  -6.048 -10.649   4.623
   13    HA   TYR   2           HA       TYR   2  -7.370  -8.392   5.954
   14   1HB   TYR   2          HB2       TYR   2  -4.455  -9.132   6.106
   15   2HB   TYR   2          HB1       TYR   2  -4.996  -7.476   6.356
   16    HD1  TYR   2           HD1      TYR   2  -4.306 -10.544   7.930
   17    HD2  TYR   2           HD2      TYR   2  -6.907  -7.184   8.143
   18    HE1  TYR   2           HE1      TYR   2  -4.770 -11.060  10.287
   19    HE2  TYR   2           HE2      TYR   2  -7.379  -7.691  10.501
   20    HH   TYR   2           HH       TYR   2  -6.908 -10.483  11.911
   21    H    ILE   3           HN       ILE   3  -6.843  -6.314   5.038
   22    HA   ILE   3           HA       ILE   3  -5.881  -6.428   2.255
   23    HB   ILE   3           HB       ILE   3  -7.576  -4.658   1.726
   24   1HG1  ILE   3          HG11      ILE   3  -9.188  -5.509   4.079
   25   2HG1  ILE   3          HG12      ILE   3  -7.891  -4.352   4.365
   26   1HG2  ILE   3          HG21      ILE   3  -9.221  -6.939   2.598
   27   2HG2  ILE   3          HG22      ILE   3  -7.817  -7.334   1.604
   28   3HG2  ILE   3          HG23      ILE   3  -9.037  -6.210   1.002
   29   1HD1  ILE   3          HD11      ILE   3 -10.168  -3.386   3.935
   30   2HD1  ILE   3          HD12      ILE   3 -10.001  -3.946   2.271
   31   3HD1  ILE   3          HD13      ILE   3  -8.864  -2.765   2.922
   32    H    ILE   4           HN       ILE   4  -4.882  -4.489   1.486
   33    HA   ILE   4           HA       ILE   4  -4.116  -2.615   3.630
   34    HB   ILE   4           HB       ILE   4  -2.479  -3.869   1.462
   35   1HG1  ILE   4          HG11      ILE   4  -0.846  -3.576   3.567
   36   2HG1  ILE   4          HG12      ILE   4  -2.387  -3.516   4.415
   37   1HG2  ILE   4          HG21      ILE   4  -1.648  -1.875   0.867
   38   2HG2  ILE   4          HG22      ILE   4  -0.788  -1.958   2.407
   39   3HG2  ILE   4          HG23      ILE   4  -2.304  -1.064   2.289
   40   1HD1  ILE   4          HD11      ILE   4  -1.440  -5.764   4.363
   41   2HD1  ILE   4          HD12      ILE   4  -1.490  -5.738   2.601
   42   3HD1  ILE   4          HD13      ILE   4  -2.990  -5.682   3.526
   43    H    PHE   5           HN       PHE   5  -3.893  -0.400   3.063
   44    HA   PHE   5           HA       PHE   5  -4.908   0.394   0.434
   45   1HB   PHE   5          HB1       PHE   5  -6.202   2.192   2.040
   46   2HB   PHE   5          HB2       PHE   5  -6.941   0.764   1.332
   47    HD1  PHE   5           HD1      PHE   5  -7.194  -1.301   2.695
   48    HD2  PHE   5           HD2      PHE   5  -5.920   2.399   4.368
   49    HE1  PHE   5           HE1      PHE   5  -7.759  -2.124   4.944
   50    HE2  PHE   5           HE2      PHE   5  -6.485   1.582   6.615
   51    HZ   PHE   5           HZ       PHE   5  -7.402  -0.679   6.906
   52    H    ARG   6           HN       ARG   6  -5.079   3.105   0.771
   53    HA   ARG   6           HA       ARG   6  -2.566   3.952   2.010
   54   1HB   ARG   6          HB2       ARG   6  -3.154   3.881  -0.889
   55   2HB   ARG   6          HB1       ARG   6  -2.401   5.355  -0.296
   56   1HG   ARG   6          HG2       ARG   6  -0.938   3.305   0.878
   57   2HG   ARG   6          HG1       ARG   6  -1.247   2.753  -0.769
   58   1HD   ARG   6          HD2       ARG   6   0.797   4.385  -0.060
   59   2HD   ARG   6          HD1       ARG   6   0.100   4.302  -1.676
   60    HE   ARG   6           HE       ARG   6  -0.677   6.313   0.339
   61   1HH1  ARG   6          HH22      ARG   6  -0.037   5.350  -2.949
   62   2HH1  ARG   6          HH21      ARG   6  -0.369   6.917  -3.608
   63   1HH2  ARG   6          HH11      ARG   6  -1.116   8.378  -0.522
   64   2HH2  ARG   6          HH12      ARG   6  -0.984   8.638  -2.229
   65    H    CYS   7           HN       CYS   7  -2.888   5.710   3.180
   66    HA   CYS   7           HA       CYS   7  -5.282   7.271   2.888
   67   1HB   CYS   7          HB2       CYS   7  -4.255   6.714   5.111
   68   2HB   CYS   7          HB1       CYS   7  -2.933   7.803   4.707
   69    HG   CYS   7           HG       CYS   7  -5.388   8.682   6.003
   70    H    ASP   8           HN       ASP   8  -5.281   9.596   2.619
   71    HA   ASP   8           HA       ASP   8  -3.906  10.423   0.361
   72   1HB   ASP   8          HB1       ASP   8  -6.028  11.418   1.134
   73   2HB   ASP   8          HB2       ASP   8  -5.177  12.175   2.477
   74    H    CYS   9           HN       CYS   9  -2.904  10.485   3.653
   75    HA   CYS   9           HA       CYS   9  -0.898  12.514   3.374
   76   1HB   CYS   9          HB1       CYS   9  -1.917  11.775   5.558
   77   2HB   CYS   9          HB2       CYS   9  -0.995  10.282   5.409
   78    HG   CYS   9           HG       CYS   9   0.120  13.001   6.243
   79    H    GLY  10           HN       GLY  10  -1.206   9.724   1.831
   80   1HA   GLY  10          HA1       GLY  10   0.315   8.602   0.483
   81   2HA   GLY  10          HA2       GLY  10   1.618   9.488   1.264
   82    H    ARG  11           HN       ARG  11  -0.462   8.187   3.537
   83    HA   ARG  11           HA       ARG  11   1.543   6.209   4.276
   84   1HB   ARG  11          HB2       ARG  11   0.772   6.346   6.407
   85   2HB   ARG  11          HB1       ARG  11   0.182   7.896   5.828
   86   1HG   ARG  11          HG1       ARG  11  -1.988   6.648   5.287
   87   2HG   ARG  11          HG2       ARG  11  -1.349   5.373   6.324
   88   1HD   ARG  11          HD1       ARG  11  -1.935   8.231   7.072
   89   2HD   ARG  11          HD2       ARG  11  -2.742   6.779   7.661
   90    HE   ARG  11           HE       ARG  11  -0.112   6.459   8.355
   91   1HH1  ARG  11          HH22      ARG  11  -2.571   8.854   8.960
   92   2HH1  ARG  11          HH21      ARG  11  -1.929   9.309  10.502
   93   1HH2  ARG  11          HH11      ARG  11   0.739   7.051  10.384
   94   2HH2  ARG  11          HH12      ARG  11  -0.047   8.284  11.312
   95    H    ALA  12           HN       ALA  12   0.197   4.236   5.499
   96    HA   ALA  12           HA       ALA  12  -1.867   3.169   3.774
   97   1HB   ALA  12          HB1       ALA  12   0.855   1.878   3.921
   98   2HB   ALA  12          HB2       ALA  12   0.068   2.545   2.491
   99   3HB   ALA  12          HB3       ALA  12  -0.586   1.102   3.265
  100    H    LEU  13           HN       LEU  13  -2.951   1.355   4.693
  101    HA   LEU  13           HA       LEU  13  -2.034   0.486   7.337
  102   1HB   LEU  13          HB1       LEU  13  -4.463   2.073   6.781
  103   2HB   LEU  13          HB2       LEU  13  -4.671   0.711   7.861
  104    HG   LEU  13           HG       LEU  13  -2.405   2.547   8.427
  105   1HD1  LEU  13          HD21      LEU  13  -4.647   3.569   9.800
  106   2HD1  LEU  13          HD22      LEU  13  -5.064   3.517   8.088
  107   3HD1  LEU  13          HD23      LEU  13  -3.625   4.387   8.617
  108   1HD2  LEU  13          HD11      LEU  13  -4.162   0.658   9.847
  109   2HD2  LEU  13          HD12      LEU  13  -3.676   2.090  10.751
  110   3HD2  LEU  13          HD13      LEU  13  -2.451   1.016  10.079
  111    H    TYR  14           HN       TYR  14  -3.857  -1.161   8.192
  112    HA   TYR  14           HA       TYR  14  -4.652  -2.912   5.969
  113   1HB   TYR  14          HB2       TYR  14  -3.701  -4.840   6.952
  114   2HB   TYR  14          HB1       TYR  14  -2.444  -3.611   7.026
  115    HD1  TYR  14           HD1      TYR  14  -4.538  -5.853   8.920
  116    HD2  TYR  14           HD2      TYR  14  -1.987  -2.460   9.211
  117    HE1  TYR  14           HE1      TYR  14  -4.324  -6.229  11.340
  118    HE2  TYR  14           HE2      TYR  14  -1.766  -2.827  11.632
  119    HH   TYR  14           HH       TYR  14  -3.164  -3.962  13.458
  120    H    SER  15           HN       SER  15  -6.528  -4.057   6.278
  121    HA   SER  15           HA       SER  15  -7.799  -4.185   8.871
  122   1HB   SER  15          HB1       SER  15  -8.367  -1.899   7.766
  123   2HB   SER  15          HB2       SER  15  -9.390  -2.851   6.691
  124    HG   SER  15           HG       SER  15  -9.696  -3.451   9.352
  125    H    ARG  16           HN       ARG  16 -10.278  -4.992   8.292
  126    HA   ARG  16           HA       ARG  16  -9.836  -7.537   7.026
  127   1HB   ARG  16          HB2       ARG  16 -11.884  -6.325   8.719
  128   2HB   ARG  16          HB1       ARG  16 -12.560  -7.338   7.449
  129   1HG   ARG  16          HG2       ARG  16 -11.139  -9.196   8.189
  130   2HG   ARG  16          HG1       ARG  16 -10.500  -8.177   9.481
  131   1HD   ARG  16          HD1       ARG  16 -12.737  -7.964  10.431
  132   2HD   ARG  16          HD2       ARG  16 -13.391  -8.961   9.131
  133    HE   ARG  16           HE       ARG  16 -11.292 -10.179  10.716
  134   1HH1  ARG  16          HH22      ARG  16 -14.718  -9.764  10.218
  135   2HH1  ARG  16          HH21      ARG  16 -15.148 -11.200  11.087
  136   1HH2  ARG  16          HH12      ARG  16 -11.851 -12.069  11.862
  137   2HH2  ARG  16          HH11      ARG  16 -13.518 -12.509  12.021
  138    H    GLU  17           HN       GLU  17 -10.882  -8.343   5.182
  139    HA   GLU  17           HA       GLU  17 -10.981  -6.677   2.972
  140   1HB   GLU  17          HB1       GLU  17 -10.729  -9.039   2.673
  141   2HB   GLU  17          HB2       GLU  17 -12.266  -9.364   3.459
  142   1HG   GLU  17          HG2       GLU  17 -13.183  -9.423   1.449
  143   2HG   GLU  17          HG1       GLU  17 -12.907  -7.685   1.343
  144    H    GLY  18           HN       GLY  18 -12.311  -5.042   2.566
  145   1HA   GLY  18          HA1       GLY  18 -14.844  -4.954   1.893
  146   2HA   GLY  18          HA2       GLY  18 -15.040  -5.108   3.632
  147    H    ALA  19           HN       ALA  19 -12.347  -3.464   3.630
  148    HA   ALA  19           HA       ALA  19 -13.638  -0.956   4.117
  149   1HB   ALA  19          HB1       ALA  19 -10.891  -2.024   4.402
  150   2HB   ALA  19          HB2       ALA  19 -11.894  -1.147   5.556
  151   3HB   ALA  19          HB3       ALA  19 -11.074  -0.276   4.260
  152    H    LYS  20           HN       LYS  20 -14.364   0.175   2.427
  153    HA   LYS  20           HA       LYS  20 -12.841   0.257  -0.056
  154   1HB   LYS  20          HB2       LYS  20 -15.572   1.236   0.751
  155   2HB   LYS  20          HB1       LYS  20 -14.831   1.736  -0.764
  156   1HG   LYS  20          HG1       LYS  20 -15.673  -0.089  -1.690
  157   2HG   LYS  20          HG2       LYS  20 -14.562  -1.040  -0.702
  158   1HD   LYS  20          HD1       LYS  20 -16.424  -0.710   1.125
  159   2HD   LYS  20          HD2       LYS  20 -17.453  -0.452  -0.285
  160   1HE   LYS  20          HE1       LYS  20 -16.436  -2.636  -1.173
  161   2HE   LYS  20          HE2       LYS  20 -15.896  -2.897   0.485
  162   1HZ   LYS  20          HZ1       LYS  20 -18.552  -3.081  -0.640
  163   2HZ   LYS  20          HZ2       LYS  20 -18.476  -2.270   0.843
  164   3HZ   LYS  20          HZ3       LYS  20 -17.892  -3.852   0.713
  165    H    THR  21           HN       THR  21 -13.968   2.420   2.500
  166    HA   THR  21           HA       THR  21 -11.789   4.244   1.883
  167    HB   THR  21           HB       THR  21 -13.669   6.118   2.277
  168    HG1  THR  21           HG1      THR  21 -15.514   5.488   1.045
  169   1HG2  THR  21          HG21      THR  21 -13.875   5.425  -0.485
  170   2HG2  THR  21          HG22      THR  21 -12.211   5.220   0.064
  171   3HG2  THR  21          HG23      THR  21 -13.024   6.771   0.273
  172    H    ARG  22           HN       ARG  22 -10.758   4.299   3.766
  173    HA   ARG  22           HA       ARG  22 -12.220   4.127   6.269
  174   1HB   ARG  22          HB1       ARG  22  -9.740   3.230   5.449
  175   2HB   ARG  22          HB2       ARG  22  -9.341   4.624   6.440
  176   1HG   ARG  22          HG2       ARG  22 -11.172   3.367   8.004
  177   2HG   ARG  22          HG1       ARG  22 -10.386   2.001   7.208
  178   1HD   ARG  22          HD1       ARG  22  -8.226   2.735   7.961
  179   2HD   ARG  22          HD2       ARG  22  -8.912   4.220   8.616
  180    HE   ARG  22           HE       ARG  22 -10.249   2.456  10.037
  181   1HH1  ARG  22          HH21      ARG  22  -6.875   2.445   9.160
  182   2HH1  ARG  22          HH22      ARG  22  -6.376   1.588  10.581
  183   1HH2  ARG  22          HH11      ARG  22  -9.600   1.330  11.912
  184   2HH2  ARG  22          HH12      ARG  22  -7.925   0.955  12.144
  185    H    LYS  23           HN       LYS  23 -10.341   5.667   7.824
  186    HA   LYS  23           HA       LYS  23 -10.546   8.387   6.823
  187   1HB   LYS  23          HB1       LYS  23 -12.732   7.970   7.897
  188   2HB   LYS  23          HB2       LYS  23 -11.908   7.551   9.392
  189   1HG   LYS  23          HG2       LYS  23 -10.872   9.927   9.172
  190   2HG   LYS  23          HG1       LYS  23 -12.242  10.217   8.097
  191   1HD   LYS  23          HD2       LYS  23 -13.281   8.919  10.362
  192   2HD   LYS  23          HD1       LYS  23 -12.167  10.149  10.965
  193   1HE   LYS  23          HE1       LYS  23 -14.427  10.607   9.020
  194   2HE   LYS  23          HE2       LYS  23 -14.438  11.027  10.733
  195   1HZ   LYS  23          HZ1       LYS  23 -13.867  13.002   9.724
  196   2HZ   LYS  23          HZ2       LYS  23 -12.916  12.264   8.537
  197   3HZ   LYS  23          HZ3       LYS  23 -12.347  12.378  10.125
  198    H    CYS  24           HN       CYS  24  -9.197   9.846   7.851
  199    HA   CYS  24           HA       CYS  24  -7.136   8.629   9.540
  200   1HB   CYS  24          HB2       CYS  24  -6.668   9.934   7.324
  201   2HB   CYS  24          HB1       CYS  24  -6.921  11.365   8.319
  202    HG   CYS  24           HG       CYS  24  -4.346  10.306   8.113
  203    H    VAL  25           HN       VAL  25  -7.092   9.063  11.635
  204    HA   VAL  25           HA       VAL  25  -8.990  10.775  12.852
  205    HB   VAL  25           HB       VAL  25  -6.533   9.813  14.275
  206   1HG1  VAL  25          HG11      VAL  25  -7.666  10.495  16.057
  207   2HG1  VAL  25          HG12      VAL  25  -8.967   9.370  15.666
  208   3HG1  VAL  25          HG13      VAL  25  -8.996  11.011  15.021
  209   1HG2  VAL  25          HG21      VAL  25  -7.292   7.624  14.423
  210   2HG2  VAL  25          HG22      VAL  25  -7.626   8.037  12.740
  211   3HG2  VAL  25          HG23      VAL  25  -8.930   8.053  13.928
  212    H    CYS  26           HN       CYS  26  -5.803  11.267  11.658
  213    HA   CYS  26           HA       CYS  26  -5.124  13.543  13.229
  214   1HB   CYS  26          HB2       CYS  26  -3.358  12.343  12.129
  215   2HB   CYS  26          HB1       CYS  26  -4.120  12.550  10.556
  216    HG   CYS  26           HG       CYS  26  -2.205  14.469  11.814
  217    H    GLY  27           HN       GLY  27  -7.011  13.030  10.353
  218   1HA   GLY  27          HA1       GLY  27  -8.708  14.913  10.124
  219   2HA   GLY  27          HA2       GLY  27  -7.293  15.947  10.011
  220    H    ARG  28           HN       ARG  28  -8.547  12.963   8.516
  221    HA   ARG  28           HA       ARG  28  -8.609  14.045   5.903
  222   1HB   ARG  28          HB2       ARG  28  -6.089  12.898   6.821
  223   2HB   ARG  28          HB1       ARG  28  -6.704  12.095   5.383
  224   1HG   ARG  28          HG1       ARG  28  -6.677  14.090   4.133
  225   2HG   ARG  28          HG2       ARG  28  -6.469  15.076   5.583
  226   1HD   ARG  28          HD2       ARG  28  -4.290  13.519   5.777
  227   2HD   ARG  28          HD1       ARG  28  -4.480  13.544   4.023
  228    HE   ARG  28           HE       ARG  28  -3.811  15.730   4.019
  229   1HH1  ARG  28          HH12      ARG  28  -4.685  14.824   7.270
  230   2HH1  ARG  28          HH11      ARG  28  -4.109  16.298   7.972
  231   1HH2  ARG  28          HH22      ARG  28  -3.051  17.673   4.937
  232   2HH2  ARG  28          HH21      ARG  28  -3.181  17.918   6.646
  233    H    THR  29           HN       THR  29  -8.147  11.720   4.417
  234    HA   THR  29           HA       THR  29  -9.884   9.681   5.600
  235    HB   THR  29           HB       THR  29 -10.329  10.898   2.864
  236    HG1  THR  29           HG1      THR  29 -11.146  12.283   4.368
  237   1HG2  THR  29          HG21      THR  29 -12.428   9.589   2.890
  238   2HG2  THR  29          HG22      THR  29 -11.830   8.739   4.315
  239   3HG2  THR  29          HG23      THR  29 -10.969   8.604   2.782
  240    H    VAL  30           HN       VAL  30  -9.383   7.611   4.999
  241    HA   VAL  30           HA       VAL  30  -6.966   7.310   3.389
  242    HB   VAL  30           HB       VAL  30  -8.356   5.195   5.029
  243   1HG1  VAL  30          HG21      VAL  30  -6.253   4.004   4.880
  244   2HG1  VAL  30          HG22      VAL  30  -5.533   5.333   3.973
  245   3HG1  VAL  30          HG23      VAL  30  -6.835   4.384   3.259
  246   1HG2  VAL  30          HG11      VAL  30  -5.892   6.160   6.146
  247   2HG2  VAL  30          HG12      VAL  30  -7.492   6.064   6.883
  248   3HG2  VAL  30          HG13      VAL  30  -7.037   7.486   5.943
  249    H    ASN  31           HN       ASN  31  -7.263   7.023   1.304
  250    HA   ASN  31           HA       ASN  31  -9.646   5.657   0.326
  251   1HB   ASN  31          HB2       ASN  31  -8.127   6.413  -1.873
  252   2HB   ASN  31          HB1       ASN  31  -9.486   7.300  -1.191
  253   1HD2  ASN  31          HD22      ASN  31  -9.130   9.143  -0.039
  254   2HD2  ASN  31          HD21      ASN  31  -7.586   9.909   0.073
  255    H    VAL  32           HN       VAL  32  -9.531   3.504   0.119
  256    HA   VAL  32           HA       VAL  32  -7.081   2.076  -0.051
  257    HB   VAL  32           HB       VAL  32  -8.312   0.111  -0.144
  258   1HG1  VAL  32          HG11      VAL  32 -10.557   0.988   1.204
  259   2HG1  VAL  32          HG12      VAL  32  -9.366   2.255   1.499
  260   3HG1  VAL  32          HG13      VAL  32  -8.997   0.582   1.921
  261   1HG2  VAL  32          HG21      VAL  32 -10.954   0.544  -0.669
  262   2HG2  VAL  32          HG22      VAL  32  -9.771  -0.064  -1.828
  263   3HG2  VAL  32          HG23      VAL  32 -10.166   1.656  -1.789
  264    H    LYS  33           HN       LYS  33  -7.425   0.199  -2.058
  265    HA   LYS  33           HA       LYS  33  -6.282   1.468  -4.262
  266   1HB   LYS  33          HB2       LYS  33  -6.639  -1.125  -3.501
  267   2HB   LYS  33          HB1       LYS  33  -7.758  -1.013  -4.852
  268   1HG   LYS  33          HG1       LYS  33  -5.594   0.156  -5.941
  269   2HG   LYS  33          HG2       LYS  33  -4.817  -0.962  -4.817
  270   1HD   LYS  33          HD1       LYS  33  -6.607  -2.631  -5.862
  271   2HD   LYS  33          HD2       LYS  33  -6.458  -1.517  -7.224
  272   1HE   LYS  33          HE2       LYS  33  -4.048  -2.696  -5.879
  273   2HE   LYS  33          HE1       LYS  33  -4.902  -3.553  -7.162
  274   1HZ   LYS  33          HZ1       LYS  33  -4.592  -1.193  -8.314
  275   2HZ   LYS  33          HZ2       LYS  33  -3.439  -2.425  -8.432
  276   3HZ   LYS  33          HZ3       LYS  33  -3.229  -1.176  -7.311
  277    H    ASP  34           HN       ASP  34  -7.342   0.973  -6.578
  278    HA   ASP  34           HA       ASP  34  -9.745   2.607  -6.620
  279   1HB   ASP  34          HB1       ASP  34  -9.336   2.300  -9.192
  280   2HB   ASP  34          HB2       ASP  34  -8.284   3.359  -8.257
  281    H    ARG  35           HN       ARG  35  -8.682  -0.577  -7.764
  282    HA   ARG  35           HA       ARG  35 -11.393  -1.306  -8.501
  283   1HB   ARG  35          HB2       ARG  35  -8.697  -2.554  -8.781
  284   2HB   ARG  35          HB1       ARG  35 -10.101  -3.611  -8.792
  285   1HG   ARG  35          HG1       ARG  35 -11.014  -2.494 -10.697
  286   2HG   ARG  35          HG2       ARG  35  -9.768  -1.245 -10.621
  287   1HD   ARG  35          HD1       ARG  35  -8.072  -2.765 -11.257
  288   2HD   ARG  35          HD2       ARG  35  -9.124  -4.156 -11.002
  289    HE   ARG  35           HE       ARG  35  -9.977  -2.280 -13.042
  290   1HH1  ARG  35          HH11      ARG  35  -8.289  -5.237 -12.295
  291   2HH1  ARG  35          HH12      ARG  35  -8.414  -5.866 -13.904
  292   1HH2  ARG  35          HH21      ARG  35 -10.146  -3.102 -15.163
  293   2HH2  ARG  35          HH22      ARG  35  -9.468  -4.653 -15.533
  294    H    ARG  36           HN       ARG  36  -9.506  -3.805  -7.091
  295    HA   ARG  36           HA       ARG  36 -11.491  -4.247  -5.057
  296   1HB   ARG  36          HB2       ARG  36  -8.889  -5.728  -5.165
  297   2HB   ARG  36          HB1       ARG  36 -10.480  -6.313  -4.703
  298   1HG   ARG  36          HG2       ARG  36 -11.075  -6.789  -6.829
  299   2HG   ARG  36          HG1       ARG  36 -10.174  -5.428  -7.501
  300   1HD   ARG  36          HD1       ARG  36  -9.086  -7.398  -8.244
  301   2HD   ARG  36          HD2       ARG  36  -8.070  -6.701  -6.983
  302    HE   ARG  36           HE       ARG  36  -9.685  -8.499  -5.690
  303   1HH1  ARG  36          HH12      ARG  36  -7.397  -8.637  -8.316
  304   2HH1  ARG  36          HH11      ARG  36  -6.929 -10.272  -7.991
  305   1HH2  ARG  36          HH21      ARG  36  -9.074 -10.651  -5.256
  306   2HH2  ARG  36          HH22      ARG  36  -7.881 -11.417  -6.252
  307    H    ILE  37           HN       ILE  37  -8.094  -4.682  -4.371
  308    HA   ILE  37           HA       ILE  37  -7.934  -2.423  -2.565
  309    HB   ILE  37           HB       ILE  37  -8.701  -5.051  -1.623
  310   1HG1  ILE  37          HG12      ILE  37  -9.616  -2.724  -1.074
  311   2HG1  ILE  37          HG11      ILE  37  -9.442  -3.855   0.264
  312   1HG2  ILE  37          HG21      ILE  37  -6.298  -3.892  -0.228
  313   2HG2  ILE  37          HG22      ILE  37  -6.234  -5.273  -1.323
  314   3HG2  ILE  37          HG23      ILE  37  -7.164  -5.374   0.172
  315   1HD1  ILE  37          HD11      ILE  37  -7.639  -1.550  -0.414
  316   2HD1  ILE  37          HD12      ILE  37  -7.292  -2.749   0.831
  317   3HD1  ILE  37          HD13      ILE  37  -8.707  -1.708   0.980
  318    H    PHE  38           HN       PHE  38  -5.794  -2.113  -1.726
  319    HA   PHE  38           HA       PHE  38  -3.746  -3.299  -3.436
  320   1HB   PHE  38          HB1       PHE  38  -4.059  -0.742  -2.740
  321   2HB   PHE  38          HB2       PHE  38  -3.079  -1.255  -1.369
  322    HD1  PHE  38           HD1      PHE  38  -3.143  -0.662  -4.967
  323    HD2  PHE  38           HD2      PHE  38  -0.779  -1.951  -1.672
  324    HE1  PHE  38           HE1      PHE  38  -1.111  -0.419  -6.334
  325    HE2  PHE  38           HE2      PHE  38   1.256  -1.710  -3.033
  326    HZ   PHE  38           HZ       PHE  38   1.091  -0.944  -5.367
  327    H    GLY  39           HN       GLY  39  -1.882  -4.314  -2.582
  328   1HA   GLY  39          HA1       GLY  39  -0.894  -5.903  -1.242
  329   2HA   GLY  39          HA2       GLY  39  -1.178  -4.727   0.032
  330    H    ARG  40           HN       ARG  40  -2.348  -7.632  -1.512
  331    HA   ARG  40           HA       ARG  40  -4.515  -7.889   0.426
  332   1HB   ARG  40          HB1       ARG  40  -4.425  -8.583  -2.187
  333   2HB   ARG  40          HB2       ARG  40  -3.946 -10.103  -1.447
  334   1HG   ARG  40          HG1       ARG  40  -6.372  -8.657  -0.478
  335   2HG   ARG  40          HG2       ARG  40  -6.441  -9.667  -1.925
  336   1HD   ARG  40          HD2       ARG  40  -5.161 -11.330  -0.226
  337   2HD   ARG  40          HD1       ARG  40  -6.163 -10.425   0.908
  338    HE   ARG  40           HE       ARG  40  -7.094 -12.195  -1.220
  339   1HH1  ARG  40          HH11      ARG  40  -7.835 -10.002   1.384
  340   2HH1  ARG  40          HH12      ARG  40  -9.481 -10.521   1.525
  341   1HH2  ARG  40          HH22      ARG  40  -9.261 -12.884  -1.043
  342   2HH2  ARG  40          HH21      ARG  40 -10.292 -12.159   0.144
  343    H    ALA  41           HN       ALA  41  -3.406  -8.220   2.326
  344    HA   ALA  41           HA       ALA  41  -1.502 -10.423   2.476
  345   1HB   ALA  41          HB1       ALA  41  -2.275  -8.243   4.398
  346   2HB   ALA  41          HB2       ALA  41  -0.743  -8.465   3.549
  347   3HB   ALA  41          HB3       ALA  41  -1.206  -9.581   4.836
  348    H    ASP  42           HN       ASP  42  -2.274 -12.390   2.849
  349    HA   ASP  42           HA       ASP  42  -4.829 -12.787   4.138
  350   1HB   ASP  42          HB1       ASP  42  -3.881 -14.178   2.201
  351   2HB   ASP  42          HB2       ASP  42  -2.848 -14.943   3.406
  352    H    ASP  43           HN       ASP  43  -1.433 -13.076   4.921
  353    HA   ASP  43           HA       ASP  43  -1.990 -14.305   7.503
  354   1HB   ASP  43          HB2       ASP  43   0.566 -13.534   6.095
  355   2HB   ASP  43          HB1       ASP  43   0.537 -14.115   7.757
  356    H    PHE  44           HN       PHE  44  -2.027 -13.248   9.409
  357    HA   PHE  44           HA       PHE  44  -2.395 -10.486   9.535
  358   1HB   PHE  44          HB1       PHE  44  -3.276 -11.633  11.350
  359   2HB   PHE  44          HB2       PHE  44  -1.827 -12.605  11.575
  360    HD1  PHE  44           HD1      PHE  44  -3.206  -9.196  12.000
  361    HD2  PHE  44           HD2      PHE  44  -0.184 -11.978  13.112
  362    HE1  PHE  44           HE1      PHE  44  -2.468  -7.674  13.787
  363    HE2  PHE  44           HE2      PHE  44   0.559 -10.462  14.902
  364    HZ   PHE  44           HZ       PHE  44  -0.583  -8.307  15.241
  365    H    GLU  45           HN       GLU  45   0.501 -12.441  10.076
  366    HA   GLU  45           HA       GLU  45   2.163 -10.305  10.918
  367   1HB   GLU  45          HB1       GLU  45   2.418 -13.063  10.685
  368   2HB   GLU  45          HB2       GLU  45   3.568 -12.435   9.512
  369   1HG   GLU  45          HG1       GLU  45   4.555 -11.034  11.292
  370   2HG   GLU  45          HG2       GLU  45   3.459 -11.788  12.448
  371    H    GLU  46           HN       GLU  46   1.404 -11.714   7.784
  372    HA   GLU  46           HA       GLU  46   3.321 -10.240   6.297
  373   1HB   GLU  46          HB2       GLU  46   2.114 -12.350   5.562
  374   2HB   GLU  46          HB1       GLU  46   0.708 -11.338   5.258
  375   1HG   GLU  46          HG2       GLU  46   1.517 -10.617   3.320
  376   2HG   GLU  46          HG1       GLU  46   3.108 -10.294   4.010
  377    H    ALA  47           HN       ALA  47   0.192  -9.523   7.567
  378    HA   ALA  47           HA       ALA  47  -0.631  -7.460   5.864
  379   1HB   ALA  47          HB1       ALA  47  -2.381  -7.678   7.217
  380   2HB   ALA  47          HB2       ALA  47  -1.491  -6.761   8.433
  381   3HB   ALA  47          HB3       ALA  47  -1.410  -8.524   8.424
  382    H    SER  48           HN       SER  48   1.036  -7.184   9.008
  383    HA   SER  48           HA       SER  48   1.483  -4.424   8.881
  384   1HB   SER  48          HB1       SER  48   2.258  -4.805  10.948
  385   2HB   SER  48          HB2       SER  48   2.105  -6.538  10.657
  386    HG   SER  48           HG       SER  48   4.217  -6.585   9.946
  387    H    GLU  49           HN       GLU  49   3.307  -7.124   7.585
  388    HA   GLU  49           HA       GLU  49   5.654  -5.658   6.940
  389   1HB   GLU  49          HB2       GLU  49   4.602  -8.353   6.470
  390   2HB   GLU  49          HB1       GLU  49   5.599  -7.751   5.153
  391   1HG   GLU  49          HG2       GLU  49   6.774  -7.260   7.764
  392   2HG   GLU  49          HG1       GLU  49   6.492  -8.972   7.447
  393    H    LEU  50           HN       LEU  50   2.684  -6.405   5.205
  394    HA   LEU  50           HA       LEU  50   3.530  -5.430   2.681
  395   1HB   LEU  50          HB1       LEU  50   1.141  -6.526   3.852
  396   2HB   LEU  50          HB2       LEU  50   0.736  -5.123   2.884
  397    HG   LEU  50           HG       LEU  50   2.253  -7.554   1.922
  398   1HD1  LEU  50          HD11      LEU  50  -0.283  -6.862   0.659
  399   2HD1  LEU  50          HD12      LEU  50  -0.438  -7.318   2.356
  400   3HD1  LEU  50          HD13      LEU  50   0.323  -8.423   1.211
  401   1HD2  LEU  50          HD21      LEU  50   3.080  -5.778   0.655
  402   2HD2  LEU  50          HD22      LEU  50   1.516  -4.965   0.603
  403   3HD2  LEU  50          HD23      LEU  50   1.775  -6.438  -0.332
  404    H    VAL  51           HN       VAL  51   1.726  -3.983   5.359
  405    HA   VAL  51           HA       VAL  51   1.236  -1.486   4.163
  406    HB   VAL  51           HB       VAL  51   1.555  -2.156   7.090
  407   1HG1  VAL  51          HG21      VAL  51   1.542   0.076   7.308
  408   2HG1  VAL  51          HG22      VAL  51  -0.185  -0.076   6.980
  409   3HG1  VAL  51          HG23      VAL  51   0.928   0.333   5.675
  410   1HG2  VAL  51          HG11      VAL  51  -0.967  -2.131   7.021
  411   2HG2  VAL  51          HG12      VAL  51  -0.191  -3.494   6.215
  412   3HG2  VAL  51          HG13      VAL  51  -0.835  -2.156   5.262
  413    H    ARG  52           HN       ARG  52   3.932  -2.700   6.107
  414    HA   ARG  52           HA       ARG  52   5.273  -0.255   6.458
  415   1HB   ARG  52          HB1       ARG  52   5.907  -3.108   6.763
  416   2HB   ARG  52          HB2       ARG  52   7.299  -2.109   6.368
  417   1HG   ARG  52          HG1       ARG  52   7.223  -0.971   8.345
  418   2HG   ARG  52          HG2       ARG  52   5.482  -1.197   8.534
  419   1HD   ARG  52          HD1       ARG  52   5.718  -3.188   9.572
  420   2HD   ARG  52          HD2       ARG  52   7.103  -3.657   8.584
  421    HE   ARG  52           HE       ARG  52   7.188  -1.997  11.005
  422   1HH1  ARG  52          HH11      ARG  52   8.817  -3.826   8.525
  423   2HH1  ARG  52          HH12      ARG  52  10.345  -3.814   9.342
  424   1HH2  ARG  52          HH21      ARG  52   9.195  -1.977  12.085
  425   2HH2  ARG  52          HH22      ARG  52  10.560  -2.764  11.364
  426    H    LYS  53           HN       LYS  53   5.477  -2.705   3.912
  427    HA   LYS  53           HA       LYS  53   7.528  -1.379   2.437
  428   1HB   LYS  53          HB2       LYS  53   6.938  -3.806   2.202
  429   2HB   LYS  53          HB1       LYS  53   5.447  -3.319   1.407
  430   1HG   LYS  53          HG2       LYS  53   6.791  -3.758  -0.393
  431   2HG   LYS  53          HG1       LYS  53   7.061  -2.026  -0.188
  432   1HD   LYS  53          HD2       LYS  53   9.157  -2.361   0.820
  433   2HD   LYS  53          HD1       LYS  53   8.832  -4.071   1.118
  434   1HE   LYS  53          HE1       LYS  53  10.248  -4.176  -0.697
  435   2HE   LYS  53          HE2       LYS  53   8.665  -4.210  -1.476
  436   1HZ   LYS  53          HZ1       LYS  53   9.383  -1.540  -1.188
  437   2HZ   LYS  53          HZ2       LYS  53   9.267  -2.432  -2.621
  438   3HZ   LYS  53          HZ3       LYS  53  10.742  -2.338  -1.799
  439    H    LEU  54           HN       LEU  54   4.046  -1.237   2.573
  440    HA   LEU  54           HA       LEU  54   3.638   0.294   0.213
  441   1HB   LEU  54          HB1       LEU  54   2.049  -0.815   2.331
  442   2HB   LEU  54          HB2       LEU  54   1.588   0.857   2.079
  443    HG   LEU  54           HG       LEU  54   0.187  -0.655   0.772
  444   1HD1  LEU  54          HD11      LEU  54   0.729   0.324  -1.531
  445   2HD1  LEU  54          HD12      LEU  54   2.039   1.176  -0.712
  446   3HD1  LEU  54          HD13      LEU  54   0.367   1.448  -0.221
  447   1HD2  LEU  54          HD21      LEU  54   1.066  -2.496  -0.093
  448   2HD2  LEU  54          HD22      LEU  54   2.703  -1.912   0.207
  449   3HD2  LEU  54          HD23      LEU  54   1.879  -1.493  -1.294
  450    H    GLN  55           HN       GLN  55   5.057   1.069   3.153
  451    HA   GLN  55           HA       GLN  55   4.122   3.704   3.551
  452   1HB   GLN  55          HB1       GLN  55   6.485   2.137   4.484
  453   2HB   GLN  55          HB2       GLN  55   6.481   3.878   4.723
  454   1HG   GLN  55          HG1       GLN  55   4.569   3.787   6.095
  455   2HG   GLN  55          HG2       GLN  55   4.221   2.123   5.629
  456   1HE2  GLN  55          HE22      GLN  55   4.672   3.391   8.268
  457   2HE2  GLN  55          HE21      GLN  55   5.934   2.469   9.004
  458    H    GLU  56           HN       GLU  56   6.411   5.266   3.731
  459    HA   GLU  56           HA       GLU  56   6.698   6.088   0.996
  460   1HB   GLU  56          HB1       GLU  56   6.550   7.621   3.023
  461   2HB   GLU  56          HB2       GLU  56   8.213   7.169   3.370
  462   1HG   GLU  56          HG2       GLU  56   8.135   9.278   2.198
  463   2HG   GLU  56          HG1       GLU  56   8.903   8.048   1.195
  464    H    GLU  57           HN       GLU  57   7.684   3.959   0.386
  465    HA   GLU  57           HA       GLU  57  10.388   3.438   1.195
  466   1HB   GLU  57          HB1       GLU  57   8.350   2.138  -0.445
  467   2HB   GLU  57          HB2       GLU  57   9.964   1.995  -1.128
  468   1HG   GLU  57          HG2       GLU  57   9.241   1.247   1.695
  469   2HG   GLU  57          HG1       GLU  57   9.319   0.114   0.347
  470    H    LYS  58           HN       LYS  58  12.207   4.199   0.325
  471    HA   LYS  58           HA       LYS  58  12.073   6.129  -1.786
  472   1HB   LYS  58          HB1       LYS  58  14.394   4.991  -0.226
  473   2HB   LYS  58          HB2       LYS  58  14.562   6.248  -1.444
  474   1HG   LYS  58          HG2       LYS  58  13.179   7.744  -0.149
  475   2HG   LYS  58          HG1       LYS  58  12.874   6.476   1.039
  476   1HD   LYS  58          HD2       LYS  58  15.172   6.457   1.709
  477   2HD   LYS  58          HD1       LYS  58  15.619   7.538   0.388
  478   1HE   LYS  58          HE2       LYS  58  15.335   9.238   1.791
  479   2HE   LYS  58          HE1       LYS  58  13.608   8.884   1.766
  480   1HZ   LYS  58          HZ1       LYS  58  15.266   8.782   3.946
  481   2HZ   LYS  58          HZ2       LYS  58  15.002   7.159   3.552
  482   3HZ   LYS  58          HZ3       LYS  58  13.687   8.179   3.854
  483    H    TYR  59           HN       TYR  59  12.888   5.983  -3.850
  484    HA   TYR  59           HA       TYR  59  13.151   3.282  -4.890
  485   1HB   TYR  59          HB2       TYR  59  13.153   5.905  -6.399
  486   2HB   TYR  59          HB1       TYR  59  12.938   4.296  -7.083
  487    HD1  TYR  59           HD1      TYR  59  10.842   3.053  -6.696
  488    HD2  TYR  59           HD2      TYR  59  11.334   7.058  -5.347
  489    HE1  TYR  59           HE1      TYR  59   8.408   3.250  -6.412
  490    HE2  TYR  59           HE2      TYR  59   8.900   7.265  -5.060
  491    HH   TYR  59           HH       TYR  59   6.936   5.443  -4.624
  492    H    GLY  60           HN       GLY  60  15.057   2.337  -5.100
  493   1HA   GLY  60          HA1       GLY  60  17.278   3.548  -6.359
  494   2HA   GLY  60          HA2       GLY  60  17.522   3.558  -4.619
  495    H    SER  61           HN       SER  61  16.193   1.088  -4.076
  496    HA   SER  61           HA       SER  61  18.315  -0.722  -4.899
  497   1HB   SER  61          HB1       SER  61  17.785  -0.737  -2.548
  498   2HB   SER  61          HB2       SER  61  16.072  -0.997  -2.886
  499    HG   SER  61           HG       SER  61  16.575  -3.027  -2.704
  500    H    CYS  62           HN       CYS  62  18.114  -2.093  -6.528
  501    HA   CYS  62           HA       CYS  62  15.416  -2.991  -7.298
  502   1HB   CYS  62          HB1       CYS  62  17.605  -1.851  -8.980
  503   2HB   CYS  62          HB2       CYS  62  16.605  -3.125  -9.672
  504    HG   CYS  62           HG       CYS  62  15.237  -0.561  -8.589
  505    H    HIS  63           HN       HIS  63  15.166  -5.130  -7.496
  506    HA   HIS  63           HA       HIS  63  17.532  -6.816  -7.130
  507   1HB   HIS  63          HB2       HIS  63  15.164  -8.382  -7.098
  508   2HB   HIS  63          HB1       HIS  63  16.217  -7.979  -5.747
  509    HD2  HIS  63           HD2      HIS  63  15.243  -6.139  -3.967
  510    HE1  HIS  63           HE1      HIS  63  11.580  -5.495  -5.988
  511    HE2  HIS  63           HE2      HIS  63  12.894  -5.041  -3.867
  512    H    PHE  64           HN       PHE  64  14.503  -6.954  -9.016
  513    HA   PHE  64           HA       PHE  64  15.451  -8.886 -10.841
  514   1HB   PHE  64          HB1       PHE  64  13.115  -7.032 -10.734
  515   2HB   PHE  64          HB2       PHE  64  13.499  -7.793 -12.274
  516    HD1  PHE  64           HD1      PHE  64  12.214  -8.289  -8.915
  517    HD2  PHE  64           HD2      PHE  64  13.375 -10.226 -12.522
  518    HE1  PHE  64           HE1      PHE  64  11.029 -10.324  -8.199
  519    HE2  PHE  64           HE2      PHE  64  12.192 -12.264 -11.814
  520    HZ   PHE  64           HZ       PHE  64  11.017 -12.314  -9.650
  521    H    THR  65           HN       THR  65  15.619  -8.480 -13.236
  522    HA   THR  65           HA       THR  65  17.417  -6.210 -13.657
  523    HB   THR  65           HB       THR  65  16.929  -8.435 -15.623
  524    HG1  THR  65           HG1      THR  65  18.008  -9.779 -14.435
  525   1HG2  THR  65          HG21      THR  65  19.516  -7.055 -15.039
  526   2HG2  THR  65          HG22      THR  65  18.345  -6.391 -16.178
  527   3HG2  THR  65          HG23      THR  65  19.048  -7.984 -16.463
  528    H    ASN  66           HN       ASN  66  16.748  -4.452 -14.671
  529    HA   ASN  66           HA       ASN  66  14.148  -4.226 -15.786
  530   1HB   ASN  66          HB2       ASN  66  16.448  -2.462 -15.301
  531   2HB   ASN  66          HB1       ASN  66  15.510  -2.030 -16.728
  532   1HD2  ASN  66          HD21      ASN  66  14.061  -0.545 -16.314
  533   2HD2  ASN  66          HD22      ASN  66  13.144  -0.384 -14.858
  534    HA   PRO  67           HA       PRO  67  14.582  -5.528 -19.974
  535   1HB   PRO  67          HB2       PRO  67  13.275  -2.966 -20.736
  536   2HB   PRO  67          HB1       PRO  67  12.824  -4.625 -21.143
  537   1HG   PRO  67          HG2       PRO  67  11.446  -3.251 -19.325
  538   2HG   PRO  67          HG1       PRO  67  11.778  -4.980 -19.100
  539   1HD   PRO  67          HD1       PRO  67  13.070  -2.613 -17.809
  540   2HD   PRO  67          HD2       PRO  67  12.668  -4.199 -17.117
  541    H    SER  68           HN       SER  68  15.270  -2.099 -19.361
  542    HA   SER  68           HA       SER  68  17.029  -1.911 -21.643
  543   1HB   SER  68          HB1       SER  68  16.522   0.065 -19.404
  544   2HB   SER  68          HB2       SER  68  17.394   0.403 -20.900
  545    HG   SER  68           HG       SER  68  15.511   0.884 -21.676
  546    H    LYS  69           HN       LYS  69  17.299  -2.908 -18.415
  547    HA   LYS  69           HA       LYS  69  20.117  -2.242 -18.170
  548   1HB   LYS  69          HB1       LYS  69  17.978  -3.000 -16.372
  549   2HB   LYS  69          HB2       LYS  69  19.409  -3.984 -16.094
  550   1HG   LYS  69          HG1       LYS  69  20.586  -2.269 -15.246
  551   2HG   LYS  69          HG2       LYS  69  19.902  -1.100 -16.377
  552   1HD   LYS  69          HD1       LYS  69  18.096  -0.650 -15.035
  553   2HD   LYS  69          HD2       LYS  69  18.139  -2.237 -14.264
  554   1HE   LYS  69          HE1       LYS  69  20.433  -0.405 -13.814
  555   2HE   LYS  69          HE2       LYS  69  18.913  -0.041 -12.999
  556   1HZ   LYS  69          HZ1       LYS  69  20.805  -1.757 -12.103
  557   2HZ   LYS  69          HZ2       LYS  69  19.675  -2.803 -12.803
  558   3HZ   LYS  69          HZ3       LYS  69  19.194  -1.727 -11.590
  559    H    ARG  70           HN       ARG  70  21.753  -3.567 -18.648
  560    HA   ARG  70           HA       ARG  70  21.176  -6.148 -19.807
  561   1HB   ARG  70          HB1       ARG  70  23.600  -4.414 -19.565
  562   2HB   ARG  70          HB2       ARG  70  23.809  -6.122 -19.925
  563   1HG   ARG  70          HG1       ARG  70  21.837  -4.650 -21.562
  564   2HG   ARG  70          HG2       ARG  70  23.541  -4.262 -21.812
  565   1HD   ARG  70          HD2       ARG  70  23.980  -6.243 -22.778
  566   2HD   ARG  70          HD1       ARG  70  22.950  -7.130 -21.655
  567    HE   ARG  70           HE       ARG  70  22.063  -5.796 -24.118
  568   1HH1  ARG  70          HH11      ARG  70  21.472  -7.971 -21.459
  569   2HH1  ARG  70          HH12      ARG  70  20.018  -8.618 -22.144
  570   1HH2  ARG  70          HH21      ARG  70  20.152  -6.642 -25.025
  571   2HH2  ARG  70          HH22      ARG  70  19.268  -7.862 -24.171
  572    H    GLU  71           HN       GLU  71  23.577  -5.146 -17.364
  573    HA   GLU  71           HA       GLU  71  23.474  -7.812 -16.201
  574   1HB   GLU  71          HB2       GLU  71  25.387  -7.047 -14.842
  575   2HB   GLU  71          HB1       GLU  71  25.669  -6.829 -16.564
  576   1HG   GLU  71          HG1       GLU  71  24.726  -4.421 -16.064
  577   2HG   GLU  71          HG2       GLU  71  25.273  -4.804 -14.433
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1 -10.081 -11.845   4.120
    2   2H    MET   1          HT2       MET   1 -10.453 -11.711   5.791
    3   3H    MET   1          HT3       MET   1 -10.005 -13.231   5.131
    4    HA   MET   1           HA       MET   1  -8.162 -12.453   6.258
    5   1HB   MET   1          HB2       MET   1  -7.333 -11.516   3.587
    6   2HB   MET   1          HB1       MET   1  -6.685 -12.819   4.572
    7   1HG   MET   1          HG2       MET   1  -7.577 -14.179   3.060
    8   2HG   MET   1          HG1       MET   1  -9.120 -13.813   3.830
    9   1HE   MET   1          HE1       MET   1  -8.324 -14.834   0.916
   10   2HE   MET   1          HE2       MET   1  -9.219 -13.883  -0.270
   11   3HE   MET   1          HE3       MET   1 -10.067 -14.627   1.085
   12    H    TYR   2           HN       TYR   2  -6.273 -10.612   5.302
   13    HA   TYR   2           HA       TYR   2  -7.499  -8.095   6.195
   14   1HB   TYR   2          HB2       TYR   2  -4.816  -9.326   6.543
   15   2HB   TYR   2          HB1       TYR   2  -4.868  -7.574   6.375
   16    HD1  TYR   2           HD1      TYR   2  -5.400  -6.224   8.209
   17    HD2  TYR   2           HD2      TYR   2  -6.278 -10.384   8.362
   18    HE1  TYR   2           HE1      TYR   2  -5.984  -6.007  10.586
   19    HE2  TYR   2           HE2      TYR   2  -6.865 -10.179  10.740
   20    HH   TYR   2           HH       TYR   2  -7.067  -7.060  12.320
   21    H    ILE   3           HN       ILE   3  -6.841  -6.115   5.191
   22    HA   ILE   3           HA       ILE   3  -5.854  -6.414   2.432
   23    HB   ILE   3           HB       ILE   3  -7.424  -4.530   1.829
   24   1HG1  ILE   3          HG12      ILE   3  -9.091  -5.313   4.182
   25   2HG1  ILE   3          HG11      ILE   3  -7.797  -4.144   4.424
   26   1HG2  ILE   3          HG21      ILE   3  -9.109  -5.975   1.212
   27   2HG2  ILE   3          HG22      ILE   3  -9.029  -6.884   2.722
   28   3HG2  ILE   3          HG23      ILE   3  -7.770  -7.086   1.502
   29   1HD1  ILE   3          HD11      ILE   3 -10.167  -3.302   3.898
   30   2HD1  ILE   3          HD12      ILE   3  -9.793  -3.763   2.237
   31   3HD1  ILE   3          HD13      ILE   3  -8.797  -2.566   3.066
   32    H    ILE   4           HN       ILE   4  -4.970  -4.401   1.519
   33    HA   ILE   4           HA       ILE   4  -4.012  -2.537   3.591
   34    HB   ILE   4           HB       ILE   4  -2.461  -3.928   1.439
   35   1HG1  ILE   4          HG11      ILE   4  -0.797  -3.657   3.534
   36   2HG1  ILE   4          HG12      ILE   4  -2.336  -3.548   4.383
   37   1HG2  ILE   4          HG21      ILE   4  -1.525  -2.005   0.796
   38   2HG2  ILE   4          HG22      ILE   4  -0.690  -2.056   2.352
   39   3HG2  ILE   4          HG23      ILE   4  -2.173  -1.118   2.176
   40   1HD1  ILE   4          HD11      ILE   4  -1.665  -5.793   2.512
   41   2HD1  ILE   4          HD12      ILE   4  -2.983  -5.703   3.680
   42   3HD1  ILE   4          HD13      ILE   4  -1.316  -5.833   4.240
   43    H    PHE   5           HN       PHE   5  -3.747  -0.364   2.937
   44    HA   PHE   5           HA       PHE   5  -4.701   0.363   0.271
   45   1HB   PHE   5          HB1       PHE   5  -6.011   2.223   1.786
   46   2HB   PHE   5          HB2       PHE   5  -6.751   0.782   1.106
   47    HD1  PHE   5           HD1      PHE   5  -5.631   2.435   4.130
   48    HD2  PHE   5           HD2      PHE   5  -7.204  -1.169   2.505
   49    HE1  PHE   5           HE1      PHE   5  -6.250   1.694   6.387
   50    HE2  PHE   5           HE2      PHE   5  -7.827  -1.917   4.765
   51    HZ   PHE   5           HZ       PHE   5  -7.344  -0.480   6.707
   52    H    ARG   6           HN       ARG   6  -4.947   3.122   0.715
   53    HA   ARG   6           HA       ARG   6  -2.365   3.946   1.821
   54   1HB   ARG   6          HB2       ARG   6  -3.270   4.415  -1.020
   55   2HB   ARG   6          HB1       ARG   6  -1.990   5.348  -0.258
   56   1HG   ARG   6          HG1       ARG   6  -0.496   3.661  -0.382
   57   2HG   ARG   6          HG2       ARG   6  -1.718   2.413  -0.128
   58   1HD   ARG   6          HD1       ARG   6  -2.116   2.171  -2.331
   59   2HD   ARG   6          HD2       ARG   6  -1.957   3.897  -2.653
   60    HE   ARG   6           HE       ARG   6   0.524   2.536  -2.073
   61   1HH1  ARG   6          HH22      ARG   6  -1.724   3.552  -4.534
   62   2HH1  ARG   6          HH21      ARG   6  -0.551   3.505  -5.807
   63   1HH2  ARG   6          HH11      ARG   6   2.077   2.473  -3.744
   64   2HH2  ARG   6          HH12      ARG   6   1.609   2.893  -5.359
   65    H    CYS   7           HN       CYS   7  -2.460   5.830   2.886
   66    HA   CYS   7           HA       CYS   7  -4.963   7.220   3.060
   67   1HB   CYS   7          HB2       CYS   7  -3.311   6.831   4.975
   68   2HB   CYS   7          HB1       CYS   7  -2.348   8.120   4.258
   69    HG   CYS   7           HG       CYS   7  -5.137   8.533   5.553
   70    H    ASP   8           HN       ASP   8  -5.035   9.640   2.846
   71    HA   ASP   8           HA       ASP   8  -4.354  10.390   0.242
   72   1HB   ASP   8          HB1       ASP   8  -6.002  11.399   2.179
   73   2HB   ASP   8          HB2       ASP   8  -4.732  12.619   2.130
   74    H    CYS   9           HN       CYS   9  -2.633  10.732   3.243
   75    HA   CYS   9           HA       CYS   9  -0.716  12.640   2.292
   76   1HB   CYS   9          HB2       CYS   9  -0.521  10.707   4.613
   77   2HB   CYS   9          HB1       CYS   9   0.510  12.110   4.343
   78    HG   CYS   9           HG       CYS   9  -1.817  12.272   5.988
   79    H    GLY  10           HN       GLY  10  -1.323   9.662   1.245
   80   1HA   GLY  10          HA2       GLY  10  -0.064   8.361  -0.226
   81   2HA   GLY  10          HA1       GLY  10   1.371   9.267   0.239
   82    H    ARG  11           HN       ARG  11  -0.585   8.130   2.790
   83    HA   ARG  11           HA       ARG  11   1.544   6.412   3.720
   84   1HB   ARG  11          HB1       ARG  11  -1.161   6.794   4.997
   85   2HB   ARG  11          HB2       ARG  11   0.328   6.265   5.766
   86   1HG   ARG  11          HG1       ARG  11   0.404   8.921   4.489
   87   2HG   ARG  11          HG2       ARG  11  -0.616   8.766   5.921
   88   1HD   ARG  11          HD1       ARG  11   1.689   9.477   6.451
   89   2HD   ARG  11          HD2       ARG  11   1.243   7.951   7.217
   90    HE   ARG  11           HE       ARG  11   2.567   6.825   5.505
   91   1HH1  ARG  11          HH12      ARG  11   3.066  10.247   5.937
   92   2HH1  ARG  11          HH11      ARG  11   4.660  10.230   5.262
   93   1HH2  ARG  11          HH22      ARG  11   4.666   6.795   4.614
   94   2HH2  ARG  11          HH21      ARG  11   5.570   8.269   4.509
   95    H    ALA  12           HN       ALA  12   0.159   4.457   5.091
   96    HA   ALA  12           HA       ALA  12  -1.560   2.990   3.319
   97   1HB   ALA  12          HB1       ALA  12   1.322   2.382   3.455
   98   2HB   ALA  12          HB2       ALA  12   0.156   2.078   2.168
   99   3HB   ALA  12          HB3       ALA  12   0.230   1.002   3.564
  100    H    LEU  13           HN       LEU  13  -2.699   1.374   4.398
  101    HA   LEU  13           HA       LEU  13  -1.850   0.672   7.103
  102   1HB   LEU  13          HB1       LEU  13  -4.334   2.175   6.410
  103   2HB   LEU  13          HB2       LEU  13  -4.373   1.036   7.741
  104    HG   LEU  13           HG       LEU  13  -2.319   3.231   7.598
  105   1HD1  LEU  13          HD21      LEU  13  -5.121   3.562   7.907
  106   2HD1  LEU  13          HD22      LEU  13  -3.845   4.771   8.049
  107   3HD1  LEU  13          HD23      LEU  13  -4.354   3.857   9.468
  108   1HD2  LEU  13          HD11      LEU  13  -2.597   2.859  10.153
  109   2HD2  LEU  13          HD12      LEU  13  -1.643   1.718   9.204
  110   3HD2  LEU  13          HD13      LEU  13  -3.295   1.314   9.670
  111    H    TYR  14           HN       TYR  14  -3.809  -0.823   8.032
  112    HA   TYR  14           HA       TYR  14  -4.613  -2.696   5.917
  113   1HB   TYR  14          HB2       TYR  14  -3.851  -4.604   7.253
  114   2HB   TYR  14          HB1       TYR  14  -2.510  -3.542   6.835
  115    HD1  TYR  14           HD1      TYR  14  -1.544  -2.038   8.576
  116    HD2  TYR  14           HD2      TYR  14  -4.426  -5.023   9.517
  117    HE1  TYR  14           HE1      TYR  14  -0.913  -1.892  10.948
  118    HE2  TYR  14           HE2      TYR  14  -3.803  -4.884  11.892
  119    HH   TYR  14           HH       TYR  14  -1.223  -2.703  12.991
  120    H    SER  15           HN       SER  15  -6.505  -3.804   6.290
  121    HA   SER  15           HA       SER  15  -7.800  -3.741   8.875
  122   1HB   SER  15          HB1       SER  15  -8.369  -1.534   7.657
  123   2HB   SER  15          HB2       SER  15  -9.336  -2.536   6.579
  124    HG   SER  15           HG       SER  15 -10.800  -2.646   8.070
  125    H    ARG  16           HN       ARG  16 -10.332  -4.473   8.195
  126    HA   ARG  16           HA       ARG  16  -9.932  -7.163   7.269
  127   1HB   ARG  16          HB2       ARG  16 -11.982  -5.690   8.679
  128   2HB   ARG  16          HB1       ARG  16 -12.690  -6.660   7.394
  129   1HG   ARG  16          HG2       ARG  16 -11.366  -8.608   8.325
  130   2HG   ARG  16          HG1       ARG  16 -11.049  -7.587   9.729
  131   1HD   ARG  16          HD1       ARG  16 -12.983  -8.290  10.570
  132   2HD   ARG  16          HD2       ARG  16 -13.788  -7.369   9.299
  133    HE   ARG  16           HE       ARG  16 -13.643  -9.471   7.951
  134   1HH1  ARG  16          HH22      ARG  16 -13.621  -9.569  11.435
  135   2HH1  ARG  16          HH21      ARG  16 -14.270 -11.172  11.521
  136   1HH2  ARG  16          HH11      ARG  16 -14.496 -11.580   8.056
  137   2HH2  ARG  16          HH12      ARG  16 -14.767 -12.316   9.600
  138    H    GLU  17           HN       GLU  17 -10.707  -8.116   5.402
  139    HA   GLU  17           HA       GLU  17 -10.637  -6.645   3.044
  140   1HB   GLU  17          HB1       GLU  17 -10.355  -9.147   3.319
  141   2HB   GLU  17          HB2       GLU  17 -12.108  -9.258   3.392
  142   1HG   GLU  17          HG2       GLU  17 -10.947  -7.811   1.090
  143   2HG   GLU  17          HG1       GLU  17 -10.730  -9.560   1.139
  144    H    GLY  18           HN       GLY  18 -11.990  -5.048   2.514
  145   1HA   GLY  18          HA1       GLY  18 -14.416  -5.105   1.534
  146   2HA   GLY  18          HA2       GLY  18 -14.823  -5.277   3.234
  147    H    ALA  19           HN       ALA  19 -12.202  -3.451   3.436
  148    HA   ALA  19           HA       ALA  19 -13.693  -1.043   3.863
  149   1HB   ALA  19          HB1       ALA  19 -12.024  -0.884   5.338
  150   2HB   ALA  19          HB2       ALA  19 -11.043  -0.315   3.988
  151   3HB   ALA  19          HB3       ALA  19 -11.010  -2.017   4.447
  152    H    LYS  20           HN       LYS  20 -14.350   0.192   2.233
  153    HA   LYS  20           HA       LYS  20 -12.827   0.297  -0.243
  154   1HB   LYS  20          HB1       LYS  20 -14.771   0.745  -1.261
  155   2HB   LYS  20          HB2       LYS  20 -15.508   0.272   0.262
  156   1HG   LYS  20          HG2       LYS  20 -14.685   3.096  -0.071
  157   2HG   LYS  20          HG1       LYS  20 -16.125   2.528  -0.920
  158   1HD   LYS  20          HD1       LYS  20 -15.732   1.976   1.999
  159   2HD   LYS  20          HD2       LYS  20 -16.401   3.516   1.449
  160   1HE   LYS  20          HE2       LYS  20 -17.584   1.038   0.335
  161   2HE   LYS  20          HE1       LYS  20 -17.926   1.408   2.025
  162   1HZ   LYS  20          HZ1       LYS  20 -19.367   2.351   0.014
  163   2HZ   LYS  20          HZ2       LYS  20 -18.234   3.601   0.138
  164   3HZ   LYS  20          HZ3       LYS  20 -19.180   3.181   1.475
  165    H    THR  21           HN       THR  21 -13.954   2.464   2.305
  166    HA   THR  21           HA       THR  21 -11.679   4.194   1.783
  167    HB   THR  21           HB       THR  21 -13.347   6.203   2.062
  168    HG1  THR  21           HG1      THR  21 -15.348   5.670   1.913
  169   1HG2  THR  21          HG21      THR  21 -12.971   6.687  -0.075
  170   2HG2  THR  21          HG22      THR  21 -13.684   5.180  -0.648
  171   3HG2  THR  21          HG23      THR  21 -12.015   5.206  -0.076
  172    H    ARG  22           HN       ARG  22 -10.719   4.189   3.685
  173    HA   ARG  22           HA       ARG  22 -12.282   4.065   6.135
  174   1HB   ARG  22          HB1       ARG  22  -9.617   3.307   5.336
  175   2HB   ARG  22          HB2       ARG  22  -9.547   4.337   6.759
  176   1HG   ARG  22          HG1       ARG  22 -11.497   2.095   6.734
  177   2HG   ARG  22          HG2       ARG  22  -9.785   1.728   6.960
  178   1HD   ARG  22          HD1       ARG  22  -9.675   3.185   8.873
  179   2HD   ARG  22          HD2       ARG  22 -11.332   3.723   8.605
  180    HE   ARG  22           HE       ARG  22 -10.610   0.971   9.384
  181   1HH1  ARG  22          HH12      ARG  22 -12.721   3.742   9.507
  182   2HH1  ARG  22          HH11      ARG  22 -13.842   3.001  10.599
  183   1HH2  ARG  22          HH21      ARG  22 -12.081  -0.012  10.823
  184   2HH2  ARG  22          HH22      ARG  22 -13.479   0.867  11.347
  185    H    LYS  23           HN       LYS  23 -10.787   5.453   7.929
  186    HA   LYS  23           HA       LYS  23 -10.420   8.160   6.943
  187   1HB   LYS  23          HB1       LYS  23 -12.804   8.117   7.427
  188   2HB   LYS  23          HB2       LYS  23 -12.496   7.466   9.030
  189   1HG   LYS  23          HG1       LYS  23 -11.179   9.592   9.475
  190   2HG   LYS  23          HG2       LYS  23 -11.907  10.218   7.994
  191   1HD   LYS  23          HD1       LYS  23 -14.134   9.850   8.919
  192   2HD   LYS  23          HD2       LYS  23 -13.422   9.184  10.391
  193   1HE   LYS  23          HE1       LYS  23 -12.161  11.613  10.142
  194   2HE   LYS  23          HE2       LYS  23 -13.795  11.960   9.578
  195   1HZ   LYS  23          HZ1       LYS  23 -12.940  10.952  12.220
  196   2HZ   LYS  23          HZ2       LYS  23 -14.536  10.772  11.687
  197   3HZ   LYS  23          HZ3       LYS  23 -13.872  12.318  11.862
  198    H    CYS  24           HN       CYS  24  -9.091   9.394   8.211
  199    HA   CYS  24           HA       CYS  24  -7.704   7.951  10.341
  200   1HB   CYS  24          HB2       CYS  24  -6.837   9.633   8.236
  201   2HB   CYS  24          HB1       CYS  24  -6.523  10.501   9.736
  202    HG   CYS  24           HG       CYS  24  -5.175   7.855   8.890
  203    H    VAL  25           HN       VAL  25  -7.995   8.448  12.400
  204    HA   VAL  25           HA       VAL  25  -9.902  10.379  13.204
  205    HB   VAL  25           HB       VAL  25  -7.924   9.305  15.162
  206   1HG1  VAL  25          HG11      VAL  25  -9.881  10.767  15.769
  207   2HG1  VAL  25          HG12      VAL  25  -9.799   9.225  16.621
  208   3HG1  VAL  25          HG13      VAL  25 -10.930   9.435  15.283
  209   1HG2  VAL  25          HG21      VAL  25 -10.017   7.397  14.784
  210   2HG2  VAL  25          HG22      VAL  25  -8.272   7.164  14.689
  211   3HG2  VAL  25          HG23      VAL  25  -9.175   7.650  13.252
  212    H    CYS  26           HN       CYS  26  -6.582  10.589  12.507
  213    HA   CYS  26           HA       CYS  26  -5.881  12.741  14.232
  214   1HB   CYS  26          HB2       CYS  26  -4.376  11.104  12.825
  215   2HB   CYS  26          HB1       CYS  26  -4.551  12.334  11.579
  216    HG   CYS  26           HG       CYS  26  -2.803  12.543  14.048
  217    H    GLY  27           HN       GLY  27  -7.443  12.506  11.125
  218   1HA   GLY  27          HA1       GLY  27  -8.937  14.534  10.786
  219   2HA   GLY  27          HA2       GLY  27  -7.442  15.450  10.910
  220    H    ARG  28           HN       ARG  28  -8.583  12.571   9.127
  221    HA   ARG  28           HA       ARG  28  -8.330  13.790   6.582
  222   1HB   ARG  28          HB1       ARG  28  -6.438  11.870   6.080
  223   2HB   ARG  28          HB2       ARG  28  -6.108  13.584   6.287
  224   1HG   ARG  28          HG1       ARG  28  -6.207  12.316   8.849
  225   2HG   ARG  28          HG2       ARG  28  -5.112  11.429   7.785
  226   1HD   ARG  28          HD1       ARG  28  -4.671  14.216   7.415
  227   2HD   ARG  28          HD2       ARG  28  -4.656  13.874   9.145
  228    HE   ARG  28           HE       ARG  28  -3.089  12.007   7.663
  229   1HH1  ARG  28          HH22      ARG  28  -3.083  15.210   9.038
  230   2HH1  ARG  28          HH21      ARG  28  -1.361  15.272   9.208
  231   1HH2  ARG  28          HH12      ARG  28  -0.823  12.082   7.884
  232   2HH2  ARG  28          HH11      ARG  28  -0.076  13.494   8.551
  233    H    THR  29           HN       THR  29  -7.886  11.657   4.945
  234    HA   THR  29           HA       THR  29  -9.674   9.518   5.843
  235    HB   THR  29           HB       THR  29 -10.036  11.079   3.277
  236    HG1  THR  29           HG1      THR  29 -10.899  11.675   5.605
  237   1HG2  THR  29          HG21      THR  29 -12.054   9.124   4.177
  238   2HG2  THR  29          HG22      THR  29 -10.587   8.489   3.434
  239   3HG2  THR  29          HG23      THR  29 -11.602   9.629   2.549
  240    H    VAL  30           HN       VAL  30  -9.123   7.535   5.117
  241    HA   VAL  30           HA       VAL  30  -6.755   7.369   3.398
  242    HB   VAL  30           HB       VAL  30  -7.970   5.168   5.064
  243   1HG1  VAL  30          HG21      VAL  30  -5.502   5.463   3.419
  244   2HG1  VAL  30          HG22      VAL  30  -6.596   4.088   3.573
  245   3HG1  VAL  30          HG23      VAL  30  -5.450   4.453   4.863
  246   1HG2  VAL  30          HG11      VAL  30  -7.346   6.611   6.726
  247   2HG2  VAL  30          HG12      VAL  30  -6.087   7.363   5.748
  248   3HG2  VAL  30          HG13      VAL  30  -5.817   5.773   6.460
  249    H    ASN  31           HN       ASN  31  -7.167   7.100   1.325
  250    HA   ASN  31           HA       ASN  31  -9.569   5.677   0.464
  251   1HB   ASN  31          HB2       ASN  31  -8.894   7.902  -0.528
  252   2HB   ASN  31          HB1       ASN  31  -7.527   7.076  -1.270
  253   1HD2  ASN  31          HD21      ASN  31  -8.028   7.142  -3.364
  254   2HD2  ASN  31          HD22      ASN  31  -9.468   6.490  -4.059
  255    H    VAL  32           HN       VAL  32  -9.475   3.561   0.071
  256    HA   VAL  32           HA       VAL  32  -7.027   2.133  -0.104
  257    HB   VAL  32           HB       VAL  32  -8.263   0.176  -0.299
  258   1HG1  VAL  32          HG11      VAL  32 -10.535   1.367   1.002
  259   2HG1  VAL  32          HG12      VAL  32  -9.035   2.108   1.558
  260   3HG1  VAL  32          HG13      VAL  32  -9.254   0.362   1.678
  261   1HG2  VAL  32          HG21      VAL  32 -10.595   0.056  -1.059
  262   2HG2  VAL  32          HG22      VAL  32  -9.520   0.687  -2.306
  263   3HG2  VAL  32          HG23      VAL  32 -10.560   1.787  -1.401
  264    H    LYS  33           HN       LYS  33  -7.359   0.317  -2.162
  265    HA   LYS  33           HA       LYS  33  -6.162   1.620  -4.322
  266   1HB   LYS  33          HB2       LYS  33  -6.773  -1.026  -3.611
  267   2HB   LYS  33          HB1       LYS  33  -7.553  -0.771  -5.167
  268   1HG   LYS  33          HG2       LYS  33  -4.834   0.260  -5.086
  269   2HG   LYS  33          HG1       LYS  33  -4.930  -1.473  -4.764
  270   1HD   LYS  33          HD2       LYS  33  -5.138  -1.828  -6.948
  271   2HD   LYS  33          HD1       LYS  33  -6.677  -0.965  -6.910
  272   1HE   LYS  33          HE2       LYS  33  -4.979   1.119  -6.949
  273   2HE   LYS  33          HE1       LYS  33  -4.017  -0.070  -7.827
  274   1HZ   LYS  33          HZ1       LYS  33  -6.831   0.362  -8.566
  275   2HZ   LYS  33          HZ2       LYS  33  -5.548  -0.193  -9.518
  276   3HZ   LYS  33          HZ3       LYS  33  -5.649   1.444  -9.106
  277    H    ASP  34           HN       ASP  34  -7.230   1.086  -6.660
  278    HA   ASP  34           HA       ASP  34  -9.590   2.785  -6.730
  279   1HB   ASP  34          HB2       ASP  34  -7.393   2.207  -8.509
  280   2HB   ASP  34          HB1       ASP  34  -8.923   1.962  -9.345
  281    H    ARG  35           HN       ARG  35  -8.587  -0.435  -7.811
  282    HA   ARG  35           HA       ARG  35 -11.317  -1.125  -8.529
  283   1HB   ARG  35          HB2       ARG  35  -8.672  -2.540  -8.742
  284   2HB   ARG  35          HB1       ARG  35 -10.184  -3.407  -8.978
  285   1HG   ARG  35          HG2       ARG  35 -10.482  -1.196 -10.583
  286   2HG   ARG  35          HG1       ARG  35  -8.773  -1.594 -10.757
  287   1HD   ARG  35          HD2       ARG  35  -9.812  -2.844 -12.429
  288   2HD   ARG  35          HD1       ARG  35  -9.566  -4.002 -11.122
  289    HE   ARG  35           HE       ARG  35 -12.020  -3.261 -10.573
  290   1HH1  ARG  35          HH11      ARG  35 -10.604  -3.873 -13.698
  291   2HH1  ARG  35          HH12      ARG  35 -12.095  -4.383 -14.416
  292   1HH2  ARG  35          HH22      ARG  35 -13.987  -3.931 -11.511
  293   2HH2  ARG  35          HH21      ARG  35 -14.017  -4.416 -13.174
  294    H    ARG  36           HN       ARG  36  -9.469  -3.670  -7.167
  295    HA   ARG  36           HA       ARG  36 -11.435  -4.096  -5.122
  296   1HB   ARG  36          HB2       ARG  36  -8.841  -5.598  -5.304
  297   2HB   ARG  36          HB1       ARG  36 -10.412  -6.170  -4.759
  298   1HG   ARG  36          HG2       ARG  36 -11.214  -6.424  -6.919
  299   2HG   ARG  36          HG1       ARG  36 -10.002  -5.337  -7.602
  300   1HD   ARG  36          HD2       ARG  36  -8.457  -6.962  -7.779
  301   2HD   ARG  36          HD1       ARG  36  -8.919  -7.708  -6.250
  302    HE   ARG  36           HE       ARG  36 -10.983  -8.325  -7.884
  303   1HH1  ARG  36          HH12      ARG  36  -7.527  -8.684  -8.159
  304   2HH1  ARG  36          HH11      ARG  36  -7.624 -10.102  -9.149
  305   1HH2  ARG  36          HH21      ARG  36 -11.119 -10.192  -9.186
  306   2HH2  ARG  36          HH22      ARG  36  -9.665 -10.959  -9.732
  307    H    ILE  37           HN       ILE  37  -8.074  -4.637  -4.378
  308    HA   ILE  37           HA       ILE  37  -7.879  -2.369  -2.582
  309    HB   ILE  37           HB       ILE  37  -8.737  -4.969  -1.655
  310   1HG1  ILE  37          HG12      ILE  37  -9.592  -2.642  -1.094
  311   2HG1  ILE  37          HG11      ILE  37  -9.412  -3.753   0.260
  312   1HG2  ILE  37          HG21      ILE  37  -6.269  -5.266  -1.336
  313   2HG2  ILE  37          HG22      ILE  37  -7.233  -5.383   0.136
  314   3HG2  ILE  37          HG23      ILE  37  -6.319  -3.913  -0.204
  315   1HD1  ILE  37          HD11      ILE  37  -7.183  -2.668   0.697
  316   2HD1  ILE  37          HD12      ILE  37  -8.607  -1.668   0.989
  317   3HD1  ILE  37          HD13      ILE  37  -7.655  -1.438  -0.477
  318    H    PHE  38           HN       PHE  38  -5.746  -2.184  -1.614
  319    HA   PHE  38           HA       PHE  38  -3.690  -3.323  -3.345
  320   1HB   PHE  38          HB1       PHE  38  -3.996  -0.801  -2.380
  321   2HB   PHE  38          HB2       PHE  38  -2.910  -1.475  -1.169
  322    HD1  PHE  38           HD1      PHE  38  -0.903  -2.891  -2.254
  323    HD2  PHE  38           HD2      PHE  38  -3.028   0.269  -4.152
  324    HE1  PHE  38           HE1      PHE  38   1.010  -2.510  -3.752
  325    HE2  PHE  38           HE2      PHE  38  -1.119   0.658  -5.653
  326    HZ   PHE  38           HZ       PHE  38   0.904  -0.734  -5.454
  327    H    GLY  39           HN       GLY  39  -1.950  -4.523  -2.561
  328   1HA   GLY  39          HA1       GLY  39  -1.061  -6.238  -1.310
  329   2HA   GLY  39          HA2       GLY  39  -1.178  -5.067  -0.007
  330    H    ARG  40           HN       ARG  40  -2.504  -7.937  -1.405
  331    HA   ARG  40           HA       ARG  40  -4.674  -8.025   0.543
  332   1HB   ARG  40          HB1       ARG  40  -4.415  -9.008  -2.054
  333   2HB   ARG  40          HB2       ARG  40  -4.327 -10.436  -1.033
  334   1HG   ARG  40          HG1       ARG  40  -6.476  -8.467  -0.485
  335   2HG   ARG  40          HG2       ARG  40  -6.627  -9.494  -1.914
  336   1HD   ARG  40          HD1       ARG  40  -5.929 -10.723   0.713
  337   2HD   ARG  40          HD2       ARG  40  -7.600 -10.267   0.389
  338    HE   ARG  40           HE       ARG  40  -7.623 -11.827  -1.423
  339   1HH1  ARG  40          HH12      ARG  40  -4.790 -11.978   0.601
  340   2HH1  ARG  40          HH11      ARG  40  -4.366 -13.583   0.106
  341   1HH2  ARG  40          HH21      ARG  40  -7.072 -13.939  -2.080
  342   2HH2  ARG  40          HH22      ARG  40  -5.661 -14.697  -1.417
  343    H    ALA  41           HN       ALA  41  -3.595  -8.272   2.461
  344    HA   ALA  41           HA       ALA  41  -1.715 -10.479   2.756
  345   1HB   ALA  41          HB1       ALA  41  -2.503  -8.212   4.570
  346   2HB   ALA  41          HB2       ALA  41  -0.974  -8.448   3.721
  347   3HB   ALA  41          HB3       ALA  41  -1.414  -9.516   5.056
  348    H    ASP  42           HN       ASP  42  -2.387 -12.410   3.367
  349    HA   ASP  42           HA       ASP  42  -5.003 -12.771   4.553
  350   1HB   ASP  42          HB2       ASP  42  -4.060 -14.309   2.797
  351   2HB   ASP  42          HB1       ASP  42  -2.887 -14.860   3.988
  352    H    ASP  43           HN       ASP  43  -1.625 -12.993   5.491
  353    HA   ASP  43           HA       ASP  43  -2.304 -13.967   8.150
  354   1HB   ASP  43          HB2       ASP  43  -0.123 -14.386   6.556
  355   2HB   ASP  43          HB1       ASP  43   0.472 -13.127   7.635
  356    H    PHE  44           HN       PHE  44  -2.282 -12.767   9.986
  357    HA   PHE  44           HA       PHE  44  -2.653 -10.005   9.876
  358   1HB   PHE  44          HB2       PHE  44  -2.328 -10.057  12.351
  359   2HB   PHE  44          HB1       PHE  44  -3.470 -11.262  11.765
  360    HD1  PHE  44           HD1      PHE  44  -2.881 -13.632  11.756
  361    HD2  PHE  44           HD2      PHE  44  -0.259 -10.690  13.362
  362    HE1  PHE  44           HE1      PHE  44  -1.616 -15.398  12.911
  363    HE2  PHE  44           HE2      PHE  44   1.013 -12.451  14.520
  364    HZ   PHE  44           HZ       PHE  44   0.334 -14.808  14.295
  365    H    GLU  45           HN       GLU  45   0.248 -11.904  10.554
  366    HA   GLU  45           HA       GLU  45   1.919  -9.691  11.166
  367   1HB   GLU  45          HB1       GLU  45   2.166 -12.513  11.082
  368   2HB   GLU  45          HB2       GLU  45   3.422 -11.860  10.040
  369   1HG   GLU  45          HG2       GLU  45   4.068 -10.352  11.943
  370   2HG   GLU  45          HG1       GLU  45   2.966 -11.287  12.953
  371    H    GLU  46           HN       GLU  46   1.009 -11.334   8.213
  372    HA   GLU  46           HA       GLU  46   2.970 -10.149   6.534
  373   1HB   GLU  46          HB2       GLU  46   1.671 -12.206   5.971
  374   2HB   GLU  46          HB1       GLU  46   0.241 -11.203   5.766
  375   1HG   GLU  46          HG2       GLU  46   1.255 -10.046   3.920
  376   2HG   GLU  46          HG1       GLU  46   2.778 -10.898   4.176
  377    H    ALA  47           HN       ALA  47  -0.068  -9.109   7.813
  378    HA   ALA  47           HA       ALA  47  -0.769  -7.116   5.974
  379   1HB   ALA  47          HB1       ALA  47  -1.274  -6.653   8.865
  380   2HB   ALA  47          HB2       ALA  47  -1.984  -8.084   8.116
  381   3HB   ALA  47          HB3       ALA  47  -2.357  -6.480   7.484
  382    H    SER  48           HN       SER  48   0.940  -6.742   9.082
  383    HA   SER  48           HA       SER  48   1.600  -4.047   8.767
  384   1HB   SER  48          HB1       SER  48   1.742  -5.485  10.880
  385   2HB   SER  48          HB2       SER  48   3.308  -6.026  10.276
  386    HG   SER  48           HG       SER  48   3.006  -3.993  11.725
  387    H    GLU  49           HN       GLU  49   3.254  -6.955   7.684
  388    HA   GLU  49           HA       GLU  49   5.679  -5.684   6.947
  389   1HB   GLU  49          HB2       GLU  49   4.451  -8.337   6.620
  390   2HB   GLU  49          HB1       GLU  49   5.556  -7.884   5.331
  391   1HG   GLU  49          HG2       GLU  49   7.164  -7.264   7.261
  392   2HG   GLU  49          HG1       GLU  49   6.106  -8.283   8.238
  393    H    LEU  50           HN       LEU  50   2.685  -6.392   5.227
  394    HA   LEU  50           HA       LEU  50   3.604  -5.629   2.658
  395   1HB   LEU  50          HB1       LEU  50   1.178  -6.576   3.838
  396   2HB   LEU  50          HB2       LEU  50   0.813  -5.162   2.869
  397    HG   LEU  50           HG       LEU  50   2.265  -7.614   1.871
  398   1HD1  LEU  50          HD11      LEU  50  -0.562  -6.705   1.359
  399   2HD1  LEU  50          HD12      LEU  50  -0.094  -8.051   2.397
  400   3HD1  LEU  50          HD13      LEU  50   0.226  -8.120   0.664
  401   1HD2  LEU  50          HD21      LEU  50   2.511  -5.135   0.882
  402   2HD2  LEU  50          HD22      LEU  50   1.055  -5.653   0.029
  403   3HD2  LEU  50          HD23      LEU  50   2.544  -6.588  -0.120
  404    H    VAL  51           HN       VAL  51   1.934  -3.922   5.258
  405    HA   VAL  51           HA       VAL  51   1.524  -1.491   3.888
  406    HB   VAL  51           HB       VAL  51   1.835  -1.979   6.849
  407   1HG1  VAL  51          HG21      VAL  51   2.046   0.295   6.758
  408   2HG1  VAL  51          HG22      VAL  51   0.289   0.155   6.800
  409   3HG1  VAL  51          HG23      VAL  51   1.116   0.432   5.267
  410   1HG2  VAL  51          HG11      VAL  51  -0.041  -3.109   5.377
  411   2HG2  VAL  51          HG12      VAL  51  -0.791  -1.520   5.537
  412   3HG2  VAL  51          HG13      VAL  51  -0.396  -2.457   6.977
  413    H    ARG  52           HN       ARG  52   4.224  -2.763   5.753
  414    HA   ARG  52           HA       ARG  52   5.686  -0.376   6.029
  415   1HB   ARG  52          HB1       ARG  52   6.031  -2.959   6.861
  416   2HB   ARG  52          HB2       ARG  52   7.269  -2.830   5.620
  417   1HG   ARG  52          HG2       ARG  52   8.030  -0.718   6.798
  418   2HG   ARG  52          HG1       ARG  52   6.978  -1.209   8.128
  419   1HD   ARG  52          HD2       ARG  52   8.193  -3.297   8.352
  420   2HD   ARG  52          HD1       ARG  52   9.206  -2.880   6.971
  421    HE   ARG  52           HE       ARG  52   9.395  -1.815   9.663
  422   1HH1  ARG  52          HH21      ARG  52  10.353  -1.544   6.322
  423   2HH1  ARG  52          HH22      ARG  52  11.761  -0.599   6.670
  424   1HH2  ARG  52          HH12      ARG  52  11.246  -0.573  10.128
  425   2HH2  ARG  52          HH11      ARG  52  12.270  -0.047   8.834
  426    H    LYS  53           HN       LYS  53   5.667  -2.854   3.504
  427    HA   LYS  53           HA       LYS  53   7.654  -1.588   1.890
  428   1HB   LYS  53          HB2       LYS  53   6.148  -4.001   1.820
  429   2HB   LYS  53          HB1       LYS  53   5.859  -3.156   0.305
  430   1HG   LYS  53          HG1       LYS  53   8.291  -2.999  -0.043
  431   2HG   LYS  53          HG2       LYS  53   8.540  -3.919   1.442
  432   1HD   LYS  53          HD1       LYS  53   6.747  -5.059  -0.640
  433   2HD   LYS  53          HD2       LYS  53   8.488  -5.099  -0.923
  434   1HE   LYS  53          HE1       LYS  53   7.067  -6.207   1.495
  435   2HE   LYS  53          HE2       LYS  53   7.698  -7.153   0.148
  436   1HZ   LYS  53          HZ1       LYS  53   9.921  -6.404   0.696
  437   2HZ   LYS  53          HZ2       LYS  53   9.211  -7.155   2.035
  438   3HZ   LYS  53          HZ3       LYS  53   9.326  -5.469   1.974
  439    H    LEU  54           HN       LEU  54   4.163  -1.469   2.165
  440    HA   LEU  54           HA       LEU  54   3.675   0.061  -0.181
  441   1HB   LEU  54          HB1       LEU  54   2.155  -1.053   1.991
  442   2HB   LEU  54          HB2       LEU  54   1.660   0.605   1.715
  443    HG   LEU  54           HG       LEU  54   0.250  -0.923   0.463
  444   1HD1  LEU  54          HD11      LEU  54   2.121   0.661  -1.288
  445   2HD1  LEU  54          HD12      LEU  54   0.637   1.239  -0.529
  446   3HD1  LEU  54          HD13      LEU  54   0.559   0.016  -1.797
  447   1HD2  LEU  54          HD21      LEU  54   1.264  -2.844  -0.111
  448   2HD2  LEU  54          HD22      LEU  54   2.843  -2.080  -0.293
  449   3HD2  LEU  54          HD23      LEU  54   1.654  -1.968  -1.591
  450    H    GLN  55           HN       GLN  55   5.114   0.845   2.762
  451    HA   GLN  55           HA       GLN  55   4.164   3.474   3.152
  452   1HB   GLN  55          HB1       GLN  55   6.401   1.840   4.167
  453   2HB   GLN  55          HB2       GLN  55   6.652   3.577   4.222
  454   1HG   GLN  55          HG2       GLN  55   4.327   2.102   5.437
  455   2HG   GLN  55          HG1       GLN  55   5.730   2.719   6.310
  456   1HE2  GLN  55          HE22      GLN  55   5.944   4.919   6.647
  457   2HE2  GLN  55          HE21      GLN  55   4.635   6.024   6.417
  458    H    GLU  56           HN       GLU  56   6.288   5.145   3.294
  459    HA   GLU  56           HA       GLU  56   6.647   5.868   0.541
  460   1HB   GLU  56          HB2       GLU  56   6.496   7.294   2.848
  461   2HB   GLU  56          HB1       GLU  56   8.236   7.278   2.594
  462   1HG   GLU  56          HG1       GLU  56   7.142   7.896   0.106
  463   2HG   GLU  56          HG2       GLU  56   6.202   8.823   1.274
  464    H    GLU  57           HN       GLU  57   7.824   3.920  -0.090
  465    HA   GLU  57           HA       GLU  57  10.479   3.487   0.915
  466   1HB   GLU  57          HB1       GLU  57   8.624   2.044  -0.653
  467   2HB   GLU  57          HB2       GLU  57  10.048   2.276  -1.658
  468   1HG   GLU  57          HG2       GLU  57  11.450   1.233  -0.024
  469   2HG   GLU  57          HG1       GLU  57  10.118   1.153   1.130
  470    H    LYS  58           HN       LYS  58  12.386   3.491  -0.540
  471    HA   LYS  58           HA       LYS  58  12.605   6.037  -1.836
  472   1HB   LYS  58          HB1       LYS  58  14.395   4.069  -0.742
  473   2HB   LYS  58          HB2       LYS  58  14.918   4.510  -2.362
  474   1HG   LYS  58          HG2       LYS  58  14.503   6.953  -1.436
  475   2HG   LYS  58          HG1       LYS  58  14.793   6.146   0.107
  476   1HD   LYS  58          HD1       LYS  58  16.825   5.135  -1.345
  477   2HD   LYS  58          HD2       LYS  58  16.645   6.711  -2.120
  478   1HE   LYS  58          HE1       LYS  58  16.586   6.765   0.814
  479   2HE   LYS  58          HE2       LYS  58  18.118   6.240   0.116
  480   1HZ   LYS  58          HZ1       LYS  58  18.553   8.395  -0.107
  481   2HZ   LYS  58          HZ2       LYS  58  16.950   8.852   0.183
  482   3HZ   LYS  58          HZ3       LYS  58  17.434   8.408  -1.376
  483    H    TYR  59           HN       TYR  59  14.215   5.767  -3.946
  484    HA   TYR  59           HA       TYR  59  12.461   4.559  -5.925
  485   1HB   TYR  59          HB2       TYR  59  14.939   6.267  -6.251
  486   2HB   TYR  59          HB1       TYR  59  13.897   5.732  -7.567
  487    HD1  TYR  59           HD1      TYR  59  11.473   6.508  -7.566
  488    HD2  TYR  59           HD2      TYR  59  14.448   8.226  -5.056
  489    HE1  TYR  59           HE1      TYR  59  10.060   8.497  -7.261
  490    HE2  TYR  59           HE2      TYR  59  13.043  10.219  -4.744
  491    HH   TYR  59           HH       TYR  59  11.232  11.374  -5.760
  492    H    GLY  60           HN       GLY  60  12.937   2.349  -5.347
  493   1HA   GLY  60          HA1       GLY  60  15.436   1.423  -6.610
  494   2HA   GLY  60          HA2       GLY  60  14.936   0.782  -5.052
  495    H    SER  61           HN       SER  61  12.069   1.123  -6.244
  496    HA   SER  61           HA       SER  61  11.960  -1.592  -7.275
  497   1HB   SER  61          HB1       SER  61  10.005   0.339  -6.135
  498   2HB   SER  61          HB2       SER  61   9.383  -0.841  -7.289
  499    HG   SER  61           HG       SER  61  10.894  -2.224  -5.708
  500    H    CYS  62           HN       CYS  62  10.171  -1.874  -9.059
  501    HA   CYS  62           HA       CYS  62  11.194  -0.667 -11.411
  502   1HB   CYS  62          HB2       CYS  62   9.196  -1.814 -12.497
  503   2HB   CYS  62          HB1       CYS  62  10.319  -2.861 -11.634
  504    HG   CYS  62           HG       CYS  62   7.627  -3.209 -11.141
  505    H    HIS  63           HN       HIS  63   9.809   0.458 -13.032
  506    HA   HIS  63           HA       HIS  63   8.589   2.752 -11.804
  507   1HB   HIS  63          HB2       HIS  63   9.900   2.281 -14.197
  508   2HB   HIS  63          HB1       HIS  63   8.226   2.505 -14.693
  509    HD2  HIS  63           HD2      HIS  63  10.962   4.668 -14.866
  510    HE1  HIS  63           HE1      HIS  63   8.141   7.067 -12.816
  511    HE2  HIS  63           HE2      HIS  63  10.308   7.070 -14.134
  512    H    PHE  64           HN       PHE  64   6.518   3.562 -13.140
  513    HA   PHE  64           HA       PHE  64   4.430   1.736 -12.385
  514   1HB   PHE  64          HB2       PHE  64   4.440   4.510 -13.568
  515   2HB   PHE  64          HB1       PHE  64   2.950   3.608 -13.310
  516    HD1  PHE  64           HD1      PHE  64   2.073   3.258 -11.107
  517    HD2  PHE  64           HD2      PHE  64   5.769   5.289 -11.678
  518    HE1  PHE  64           HE1      PHE  64   1.999   4.039  -8.775
  519    HE2  PHE  64           HE2      PHE  64   5.702   6.073  -9.347
  520    HZ   PHE  64           HZ       PHE  64   3.816   5.448  -7.892
  521    H    THR  65           HN       THR  65   3.774   0.136 -13.649
  522    HA   THR  65           HA       THR  65   4.097   0.359 -16.549
  523    HB   THR  65           HB       THR  65   3.162  -2.163 -16.149
  524    HG1  THR  65           HG1      THR  65   4.748  -1.583 -13.875
  525   1HG2  THR  65          HG21      THR  65   5.452  -2.955 -16.205
  526   2HG2  THR  65          HG22      THR  65   6.033  -1.335 -15.820
  527   3HG2  THR  65          HG23      THR  65   5.209  -1.637 -17.350
  528    H    ASN  66           HN       ASN  66   1.613  -0.873 -14.301
  529    HA   ASN  66           HA       ASN  66  -0.474  -0.759 -16.217
  530   1HB   ASN  66          HB1       ASN  66  -1.788  -1.672 -14.590
  531   2HB   ASN  66          HB2       ASN  66  -0.216  -2.029 -13.879
  532   1HD2  ASN  66          HD21      ASN  66  -3.201  -0.743 -13.305
  533   2HD2  ASN  66          HD22      ASN  66  -2.841   0.181 -11.891
  534    HA   PRO  67           HA       PRO  67  -2.948  -0.495 -15.323
  535   1HB   PRO  67          HB1       PRO  67  -4.715   1.253 -16.824
  536   2HB   PRO  67          HB2       PRO  67  -4.973   0.505 -15.248
  537   1HG   PRO  67          HG1       PRO  67  -4.631   3.180 -15.581
  538   2HG   PRO  67          HG2       PRO  67  -4.154   2.317 -14.107
  539   1HD   PRO  67          HD2       PRO  67  -2.459   3.212 -16.413
  540   2HD   PRO  67          HD1       PRO  67  -2.124   3.295 -14.670
  541    H    SER  68           HN       SER  68  -0.808   0.494 -17.331
  542    HA   SER  68           HA       SER  68  -2.009  -0.070 -19.886
  543   1HB   SER  68          HB2       SER  68   0.800   0.505 -18.962
  544   2HB   SER  68          HB1       SER  68   0.469  -0.011 -20.616
  545    HG   SER  68           HG       SER  68  -0.017   2.403 -19.389
  546    H    LYS  69           HN       LYS  69   0.635  -1.613 -18.052
  547    HA   LYS  69           HA       LYS  69   0.214  -4.090 -19.521
  548   1HB   LYS  69          HB1       LYS  69   2.375  -2.915 -17.911
  549   2HB   LYS  69          HB2       LYS  69   2.152  -4.641 -17.662
  550   1HG   LYS  69          HG2       LYS  69   3.382  -4.974 -19.472
  551   2HG   LYS  69          HG1       LYS  69   2.058  -4.299 -20.423
  552   1HD   LYS  69          HD2       LYS  69   3.415  -2.094 -19.371
  553   2HD   LYS  69          HD1       LYS  69   4.675  -3.212 -19.895
  554   1HE   LYS  69          HE2       LYS  69   2.394  -2.156 -21.559
  555   2HE   LYS  69          HE1       LYS  69   4.095  -1.721 -21.708
  556   1HZ   LYS  69          HZ1       LYS  69   2.698  -4.002 -22.744
  557   2HZ   LYS  69          HZ2       LYS  69   4.117  -4.423 -21.926
  558   3HZ   LYS  69          HZ3       LYS  69   4.177  -3.335 -23.220
  559    H    ARG  70           HN       ARG  70  -0.685  -5.906 -18.707
  560    HA   ARG  70           HA       ARG  70  -2.148  -5.676 -16.230
  561   1HB   ARG  70          HB2       ARG  70  -2.783  -8.120 -16.897
  562   2HB   ARG  70          HB1       ARG  70  -3.428  -6.768 -17.817
  563   1HG   ARG  70          HG1       ARG  70  -1.589  -7.100 -19.465
  564   2HG   ARG  70          HG2       ARG  70  -1.135  -8.560 -18.580
  565   1HD   ARG  70          HD2       ARG  70  -3.922  -8.682 -19.047
  566   2HD   ARG  70          HD1       ARG  70  -3.154  -8.223 -20.565
  567    HE   ARG  70           HE       ARG  70  -2.968 -10.759 -19.224
  568   1HH1  ARG  70          HH11      ARG  70  -1.444  -8.595 -21.492
  569   2HH1  ARG  70          HH12      ARG  70  -0.563  -9.852 -22.294
  570   1HH2  ARG  70          HH21      ARG  70  -1.812 -12.419 -20.275
  571   2HH2  ARG  70          HH22      ARG  70  -0.771 -12.025 -21.603
  572    H    GLU  71           HN       GLU  71  -0.178  -5.492 -14.909
  573    HA   GLU  71           HA       GLU  71   1.347  -7.942 -14.540
  574   1HB   GLU  71          HB2       GLU  71   2.047  -5.314 -14.371
  575   2HB   GLU  71          HB1       GLU  71   1.776  -5.696 -12.676
  576   1HG   GLU  71          HG2       GLU  71   3.611  -6.974 -12.535
  577   2HG   GLU  71          HG1       GLU  71   3.381  -7.664 -14.143
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1 -10.196 -11.999   5.282
    2   2H    MET   1          HT2       MET   1  -9.706 -12.482   6.854
    3   3H    MET   1          HT3       MET   1  -9.588 -13.583   5.542
    4    HA   MET   1           HA       MET   1  -7.468 -12.656   6.170
    5   1HB   MET   1          HB2       MET   1  -6.888 -11.918   3.841
    6   2HB   MET   1          HB1       MET   1  -7.779 -13.432   3.920
    7   1HG   MET   1          HG2       MET   1  -9.713 -11.424   3.700
    8   2HG   MET   1          HG1       MET   1  -8.438 -10.996   2.560
    9   1HE   MET   1          HE1       MET   1 -11.626 -13.843   2.679
   10   2HE   MET   1          HE2       MET   1 -10.525 -13.606   4.038
   11   3HE   MET   1          HE3       MET   1 -10.345 -15.015   2.991
   12    H    TYR   2           HN       TYR   2  -6.276 -10.544   4.888
   13    HA   TYR   2           HA       TYR   2  -7.571  -8.170   6.047
   14   1HB   TYR   2          HB2       TYR   2  -4.907  -9.302   6.600
   15   2HB   TYR   2          HB1       TYR   2  -4.913  -7.573   6.267
   16    HD1  TYR   2           HD1      TYR   2  -6.965 -10.000   8.252
   17    HD2  TYR   2           HD2      TYR   2  -5.032  -6.211   8.113
   18    HE1  TYR   2           HE1      TYR   2  -7.671  -9.560  10.567
   19    HE2  TYR   2           HE2      TYR   2  -5.733  -5.762  10.425
   20    HH   TYR   2           HH       TYR   2  -6.551  -7.841  12.538
   21    H    ILE   3           HN       ILE   3  -6.897  -6.140   5.104
   22    HA   ILE   3           HA       ILE   3  -5.863  -6.390   2.356
   23    HB   ILE   3           HB       ILE   3  -7.446  -4.567   1.712
   24   1HG1  ILE   3          HG11      ILE   3  -9.078  -5.227   4.133
   25   2HG1  ILE   3          HG12      ILE   3  -7.790  -4.035   4.273
   26   1HG2  ILE   3          HG21      ILE   3  -7.835  -7.192   1.626
   27   2HG2  ILE   3          HG22      ILE   3  -9.057  -6.039   1.085
   28   3HG2  ILE   3          HG23      ILE   3  -9.179  -6.765   2.689
   29   1HD1  ILE   3          HD11      ILE   3  -9.933  -2.983   3.847
   30   2HD1  ILE   3          HD12      ILE   3 -10.102  -3.908   2.355
   31   3HD1  ILE   3          HD13      ILE   3  -8.815  -2.711   2.508
   32    H    ILE   4           HN       ILE   4  -4.985  -4.362   1.484
   33    HA   ILE   4           HA       ILE   4  -4.103  -2.494   3.584
   34    HB   ILE   4           HB       ILE   4  -2.469  -3.897   1.507
   35   1HG1  ILE   4          HG12      ILE   4  -0.869  -3.513   3.643
   36   2HG1  ILE   4          HG11      ILE   4  -2.438  -3.429   4.438
   37   1HG2  ILE   4          HG21      ILE   4  -0.748  -1.974   2.394
   38   2HG2  ILE   4          HG22      ILE   4  -2.241  -1.059   2.174
   39   3HG2  ILE   4          HG23      ILE   4  -1.559  -1.971   0.826
   40   1HD1  ILE   4          HD11      ILE   4  -2.506  -5.631   4.485
   41   2HD1  ILE   4          HD12      ILE   4  -0.974  -5.714   3.616
   42   3HD1  ILE   4          HD13      ILE   4  -2.492  -5.664   2.723
   43    H    PHE   5           HN       PHE   5  -3.831  -0.311   2.921
   44    HA   PHE   5           HA       PHE   5  -4.740   0.385   0.230
   45   1HB   PHE   5          HB1       PHE   5  -6.105   2.240   1.711
   46   2HB   PHE   5          HB2       PHE   5  -6.813   0.795   1.003
   47    HD1  PHE   5           HD1      PHE   5  -5.923   2.500   4.046
   48    HD2  PHE   5           HD2      PHE   5  -7.178  -1.216   2.401
   49    HE1  PHE   5           HE1      PHE   5  -6.616   1.749   6.281
   50    HE2  PHE   5           HE2      PHE   5  -7.873  -1.974   4.636
   51    HZ   PHE   5           HZ       PHE   5  -7.590  -0.486   6.578
   52    H    ARG   6           HN       ARG   6  -5.048   3.157   0.690
   53    HA   ARG   6           HA       ARG   6  -2.473   3.999   1.804
   54   1HB   ARG   6          HB2       ARG   6  -3.373   4.356  -1.041
   55   2HB   ARG   6          HB1       ARG   6  -2.244   5.485  -0.304
   56   1HG   ARG   6          HG1       ARG   6  -0.591   3.855  -0.056
   57   2HG   ARG   6          HG2       ARG   6  -1.736   2.532  -0.281
   58   1HD   ARG   6          HD1       ARG   6  -0.405   4.265  -2.289
   59   2HD   ARG   6          HD2       ARG   6  -0.760   2.540  -2.343
   60    HE   ARG   6           HE       ARG   6  -3.109   3.195  -2.783
   61   1HH1  ARG   6          HH22      ARG   6  -0.532   5.444  -3.449
   62   2HH1  ARG   6          HH21      ARG   6  -1.428   6.315  -4.649
   63   1HH2  ARG   6          HH11      ARG   6  -4.296   4.335  -4.361
   64   2HH2  ARG   6          HH12      ARG   6  -3.566   5.684  -5.167
   65    H    CYS   7           HN       CYS   7  -2.560   5.869   2.876
   66    HA   CYS   7           HA       CYS   7  -5.064   7.246   3.121
   67   1HB   CYS   7          HB2       CYS   7  -3.408   6.843   5.006
   68   2HB   CYS   7          HB1       CYS   7  -2.405   8.089   4.272
   69    HG   CYS   7           HG       CYS   7  -4.109   9.861   4.920
   70    H    ASP   8           HN       ASP   8  -5.138   9.675   2.938
   71    HA   ASP   8           HA       ASP   8  -4.511  10.457   0.329
   72   1HB   ASP   8          HB1       ASP   8  -6.292  11.415   1.910
   73   2HB   ASP   8          HB2       ASP   8  -5.000  12.409   2.575
   74    H    CYS   9           HN       CYS   9  -2.730  10.753   3.299
   75    HA   CYS   9           HA       CYS   9  -0.820  12.663   2.337
   76   1HB   CYS   9          HB1       CYS   9  -1.350  12.235   4.763
   77   2HB   CYS   9          HB2       CYS   9  -0.503  10.698   4.612
   78    HG   CYS   9           HG       CYS   9   0.974  13.412   4.229
   79    H    GLY  10           HN       GLY  10  -1.470   9.702   1.270
   80   1HA   GLY  10          HA2       GLY  10  -0.254   8.396  -0.231
   81   2HA   GLY  10          HA1       GLY  10   1.195   9.297   0.198
   82    H    ARG  11           HN       ARG  11  -0.707   8.148   2.789
   83    HA   ARG  11           HA       ARG  11   1.447   6.426   3.661
   84   1HB   ARG  11          HB1       ARG  11  -1.213   6.759   5.033
   85   2HB   ARG  11          HB2       ARG  11   0.332   6.316   5.744
   86   1HG   ARG  11          HG2       ARG  11   1.182   8.550   5.382
   87   2HG   ARG  11          HG1       ARG  11  -0.315   9.010   4.567
   88   1HD   ARG  11          HD2       ARG  11  -0.926   9.754   6.594
   89   2HD   ARG  11          HD1       ARG  11  -1.277   8.056   6.913
   90    HE   ARG  11           HE       ARG  11   1.310   9.281   7.615
   91   1HH1  ARG  11          HH22      ARG  11  -1.482   7.353   8.412
   92   2HH1  ARG  11          HH21      ARG  11  -0.882   6.896   9.970
   93   1HH2  ARG  11          HH11      ARG  11   2.107   8.683   9.665
   94   2HH2  ARG  11          HH12      ARG  11   1.158   7.651  10.683
   95    H    ALA  12           HN       ALA  12   0.004   4.504   5.090
   96    HA   ALA  12           HA       ALA  12  -1.702   3.029   3.304
   97   1HB   ALA  12          HB1       ALA  12   0.258   1.109   3.846
   98   2HB   ALA  12          HB2       ALA  12   1.131   2.532   3.276
   99   3HB   ALA  12          HB3       ALA  12  -0.142   1.821   2.284
  100    H    LEU  13           HN       LEU  13  -2.843   1.384   4.374
  101    HA   LEU  13           HA       LEU  13  -2.105   0.801   7.142
  102   1HB   LEU  13          HB1       LEU  13  -4.606   2.178   6.266
  103   2HB   LEU  13          HB2       LEU  13  -4.664   1.096   7.643
  104    HG   LEU  13           HG       LEU  13  -2.479   3.036   7.796
  105   1HD1  LEU  13          HD21      LEU  13  -3.876   4.593   6.751
  106   2HD1  LEU  13          HD22      LEU  13  -4.133   4.862   8.475
  107   3HD1  LEU  13          HD23      LEU  13  -5.321   3.958   7.536
  108   1HD2  LEU  13          HD11      LEU  13  -4.723   2.706   9.742
  109   2HD2  LEU  13          HD12      LEU  13  -3.023   3.065  10.042
  110   3HD2  LEU  13          HD13      LEU  13  -3.510   1.440   9.562
  111    H    TYR  14           HN       TYR  14  -4.082  -0.716   8.021
  112    HA   TYR  14           HA       TYR  14  -4.695  -2.703   5.945
  113   1HB   TYR  14          HB2       TYR  14  -4.053  -4.505   7.586
  114   2HB   TYR  14          HB1       TYR  14  -2.707  -3.574   6.938
  115    HD1  TYR  14           HD1      TYR  14  -4.749  -4.226   9.923
  116    HD2  TYR  14           HD2      TYR  14  -1.380  -2.151   8.356
  117    HE1  TYR  14           HE1      TYR  14  -4.001  -3.726  12.210
  118    HE2  TYR  14           HE2      TYR  14  -0.623  -1.646  10.640
  119    HH   TYR  14           HH       TYR  14  -2.505  -1.835  13.286
  120    H    SER  15           HN       SER  15  -6.589  -3.835   6.242
  121    HA   SER  15           HA       SER  15  -8.042  -3.707   8.732
  122   1HB   SER  15          HB1       SER  15  -8.596  -1.538   7.580
  123   2HB   SER  15          HB2       SER  15  -9.313  -2.481   6.275
  124    HG   SER  15           HG       SER  15 -10.166  -2.191   8.939
  125    H    ARG  16           HN       ARG  16 -10.492  -4.557   8.028
  126    HA   ARG  16           HA       ARG  16  -9.977  -7.231   7.125
  127   1HB   ARG  16          HB1       ARG  16 -12.255  -7.693   7.663
  128   2HB   ARG  16          HB2       ARG  16 -11.615  -6.653   8.927
  129   1HG   ARG  16          HG1       ARG  16 -13.113  -5.060   8.514
  130   2HG   ARG  16          HG2       ARG  16 -12.857  -5.154   6.770
  131   1HD   ARG  16          HD1       ARG  16 -14.169  -7.473   7.199
  132   2HD   ARG  16          HD2       ARG  16 -14.874  -6.469   8.466
  133    HE   ARG  16           HE       ARG  16 -14.923  -5.787   5.597
  134   1HH1  ARG  16          HH22      ARG  16 -16.337  -5.750   8.782
  135   2HH1  ARG  16          HH21      ARG  16 -17.776  -4.933   8.273
  136   1HH2  ARG  16          HH12      ARG  16 -16.814  -4.712   4.919
  137   2HH2  ARG  16          HH11      ARG  16 -18.048  -4.343   6.078
  138    H    GLU  17           HN       GLU  17 -10.818  -8.265   5.305
  139    HA   GLU  17           HA       GLU  17 -10.731  -6.869   2.903
  140   1HB   GLU  17          HB1       GLU  17 -10.534  -9.396   3.331
  141   2HB   GLU  17          HB2       GLU  17 -12.291  -9.420   3.260
  142   1HG   GLU  17          HG2       GLU  17 -10.915  -8.082   1.022
  143   2HG   GLU  17          HG1       GLU  17 -10.715  -9.831   1.138
  144    H    GLY  18           HN       GLY  18 -12.057  -5.240   2.386
  145   1HA   GLY  18          HA1       GLY  18 -14.447  -5.220   1.370
  146   2HA   GLY  18          HA2       GLY  18 -14.911  -5.477   3.044
  147    H    ALA  19           HN       ALA  19 -12.267  -3.658   3.361
  148    HA   ALA  19           HA       ALA  19 -13.771  -1.281   3.903
  149   1HB   ALA  19          HB1       ALA  19 -11.811  -2.071   5.251
  150   2HB   ALA  19          HB2       ALA  19 -11.757  -0.374   4.776
  151   3HB   ALA  19          HB3       ALA  19 -10.776  -1.562   3.918
  152    H    LYS  20           HN       LYS  20 -14.435   0.003   2.319
  153    HA   LYS  20           HA       LYS  20 -12.897   0.231  -0.142
  154   1HB   LYS  20          HB2       LYS  20 -15.670   0.727   0.684
  155   2HB   LYS  20          HB1       LYS  20 -15.024   1.954  -0.398
  156   1HG   LYS  20          HG2       LYS  20 -16.109   0.302  -1.722
  157   2HG   LYS  20          HG1       LYS  20 -14.369   0.128  -1.963
  158   1HD   LYS  20          HD2       LYS  20 -14.886  -2.061  -1.631
  159   2HD   LYS  20          HD1       LYS  20 -14.665  -1.586   0.054
  160   1HE   LYS  20          HE2       LYS  20 -16.691  -2.824  -0.067
  161   2HE   LYS  20          HE1       LYS  20 -17.125  -1.130   0.154
  162   1HZ   LYS  20          HZ1       LYS  20 -18.208  -1.111  -1.769
  163   2HZ   LYS  20          HZ2       LYS  20 -18.063  -2.795  -1.795
  164   3HZ   LYS  20          HZ3       LYS  20 -16.929  -1.836  -2.605
  165    H    THR  21           HN       THR  21 -13.993   2.260   2.541
  166    HA   THR  21           HA       THR  21 -11.842   4.133   1.937
  167    HB   THR  21           HB       THR  21 -13.628   5.996   2.465
  168    HG1  THR  21           HG1      THR  21 -15.411   4.736   2.779
  169   1HG2  THR  21          HG21      THR  21 -13.829   4.809  -0.267
  170   2HG2  THR  21          HG22      THR  21 -12.341   5.573   0.294
  171   3HG2  THR  21          HG23      THR  21 -13.837   6.504   0.220
  172    H    ARG  22           HN       ARG  22 -10.713   4.160   3.750
  173    HA   ARG  22           HA       ARG  22 -12.030   3.866   6.333
  174   1HB   ARG  22          HB1       ARG  22  -9.379   3.358   5.271
  175   2HB   ARG  22          HB2       ARG  22  -9.297   4.299   6.754
  176   1HG   ARG  22          HG1       ARG  22 -11.134   2.022   6.871
  177   2HG   ARG  22          HG2       ARG  22  -9.439   1.592   6.630
  178   1HD   ARG  22          HD1       ARG  22  -9.768   1.635   8.966
  179   2HD   ARG  22          HD2       ARG  22  -8.908   3.123   8.570
  180    HE   ARG  22           HE       ARG  22 -10.777   4.341   9.163
  181   1HH1  ARG  22          HH11      ARG  22 -11.533   0.939   9.105
  182   2HH1  ARG  22          HH12      ARG  22 -13.062   1.135   9.895
  183   1HH2  ARG  22          HH21      ARG  22 -12.787   4.607  10.206
  184   2HH2  ARG  22          HH22      ARG  22 -13.773   3.219  10.522
  185    H    LYS  23           HN       LYS  23 -10.384   5.350   7.986
  186    HA   LYS  23           HA       LYS  23 -10.326   8.082   7.009
  187   1HB   LYS  23          HB1       LYS  23 -12.664   7.775   7.765
  188   2HB   LYS  23          HB2       LYS  23 -12.075   7.310   9.355
  189   1HG   LYS  23          HG1       LYS  23 -11.750   9.427   9.983
  190   2HG   LYS  23          HG2       LYS  23 -11.047   9.881   8.429
  191   1HD   LYS  23          HD2       LYS  23 -12.965  11.115   8.346
  192   2HD   LYS  23          HD1       LYS  23 -13.556   9.614   7.629
  193   1HE   LYS  23          HE1       LYS  23 -15.173  10.221   9.225
  194   2HE   LYS  23          HE2       LYS  23 -14.234   8.932   9.978
  195   1HZ   LYS  23          HZ1       LYS  23 -13.568  11.773  10.434
  196   2HZ   LYS  23          HZ2       LYS  23 -13.157  10.426  11.372
  197   3HZ   LYS  23          HZ3       LYS  23 -14.752  10.993  11.358
  198    H    CYS  24           HN       CYS  24  -8.910   9.356   8.096
  199    HA   CYS  24           HA       CYS  24  -7.299   8.027  10.142
  200   1HB   CYS  24          HB2       CYS  24  -6.660   9.664   7.913
  201   2HB   CYS  24          HB1       CYS  24  -6.221  10.563   9.361
  202    HG   CYS  24           HG       CYS  24  -5.045   7.757   8.708
  203    H    VAL  25           HN       VAL  25  -7.658   8.500  12.169
  204    HA   VAL  25           HA       VAL  25  -9.420  10.552  13.004
  205    HB   VAL  25           HB       VAL  25  -9.545   9.261  14.785
  206   1HG1  VAL  25          HG21      VAL  25  -8.532   7.192  14.877
  207   2HG1  VAL  25          HG22      VAL  25  -6.996   7.798  14.255
  208   3HG1  VAL  25          HG23      VAL  25  -8.373   7.602  13.167
  209   1HG2  VAL  25          HG11      VAL  25  -6.654   9.685  15.450
  210   2HG2  VAL  25          HG12      VAL  25  -8.016   9.446  16.545
  211   3HG2  VAL  25          HG13      VAL  25  -7.864  10.952  15.641
  212    H    CYS  26           HN       CYS  26  -6.127  10.559  12.219
  213    HA   CYS  26           HA       CYS  26  -5.231  12.652  13.912
  214   1HB   CYS  26          HB2       CYS  26  -3.878  10.971  12.436
  215   2HB   CYS  26          HB1       CYS  26  -4.092  12.182  11.176
  216    HG   CYS  26           HG       CYS  26  -1.842  12.624  12.416
  217    H    GLY  27           HN       GLY  27  -7.110  12.560  11.012
  218   1HA   GLY  27          HA1       GLY  27  -8.445  14.703  10.805
  219   2HA   GLY  27          HA2       GLY  27  -6.878  15.493  10.756
  220    H    ARG  28           HN       ARG  28  -8.272  12.625   9.142
  221    HA   ARG  28           HA       ARG  28  -8.359  13.825   6.579
  222   1HB   ARG  28          HB1       ARG  28  -6.503  11.944   5.850
  223   2HB   ARG  28          HB2       ARG  28  -6.189  13.668   6.006
  224   1HG   ARG  28          HG2       ARG  28  -5.905  12.549   8.577
  225   2HG   ARG  28          HG1       ARG  28  -5.052  11.492   7.450
  226   1HD   ARG  28          HD2       ARG  28  -4.442  14.128   6.688
  227   2HD   ARG  28          HD1       ARG  28  -4.295  14.071   8.443
  228    HE   ARG  28           HE       ARG  28  -2.770  12.436   6.537
  229   1HH1  ARG  28          HH11      ARG  28  -3.279  13.675   9.754
  230   2HH1  ARG  28          HH12      ARG  28  -1.749  13.120  10.347
  231   1HH2  ARG  28          HH21      ARG  28  -0.754  11.703   7.310
  232   2HH2  ARG  28          HH22      ARG  28  -0.314  11.999   8.959
  233    H    THR  29           HN       THR  29  -8.008  11.670   4.925
  234    HA   THR  29           HA       THR  29  -9.660   9.510   6.013
  235    HB   THR  29           HB       THR  29 -10.253  10.968   3.428
  236    HG1  THR  29           HG1      THR  29 -12.081  10.816   5.517
  237   1HG2  THR  29          HG21      THR  29 -12.052   9.572   3.056
  238   2HG2  THR  29          HG22      THR  29 -12.046   8.956   4.708
  239   3HG2  THR  29          HG23      THR  29 -10.786   8.462   3.578
  240    H    VAL  30           HN       VAL  30  -9.130   7.517   5.261
  241    HA   VAL  30           HA       VAL  30  -6.859   7.385   3.416
  242    HB   VAL  30           HB       VAL  30  -7.960   5.165   5.134
  243   1HG1  VAL  30          HG21      VAL  30  -5.371   4.583   4.770
  244   2HG1  VAL  30          HG22      VAL  30  -5.687   5.449   3.267
  245   3HG1  VAL  30          HG23      VAL  30  -6.643   4.027   3.685
  246   1HG2  VAL  30          HG11      VAL  30  -5.630   5.873   6.309
  247   2HG2  VAL  30          HG12      VAL  30  -7.215   6.445   6.829
  248   3HG2  VAL  30          HG13      VAL  30  -6.219   7.445   5.770
  249    H    ASN  31           HN       ASN  31  -7.336   7.075   1.364
  250    HA   ASN  31           HA       ASN  31  -9.753   5.602   0.622
  251   1HB   ASN  31          HB2       ASN  31  -9.413   7.772  -0.452
  252   2HB   ASN  31          HB1       ASN  31  -7.849   7.243  -1.062
  253   1HD2  ASN  31          HD22      ASN  31 -10.968   5.581  -0.932
  254   2HD2  ASN  31          HD21      ASN  31 -11.094   5.317  -2.635
  255    H    VAL  32           HN       VAL  32  -9.634   3.506   0.119
  256    HA   VAL  32           HA       VAL  32  -7.152   2.146  -0.143
  257    HB   VAL  32           HB       VAL  32  -8.329   0.159  -0.364
  258   1HG1  VAL  32          HG11      VAL  32  -9.243   2.085   1.508
  259   2HG1  VAL  32          HG12      VAL  32  -9.163   0.331   1.679
  260   3HG1  VAL  32          HG13      VAL  32 -10.616   1.087   1.025
  261   1HG2  VAL  32          HG21      VAL  32  -9.671   0.393  -2.250
  262   2HG2  VAL  32          HG22      VAL  32 -10.520   1.792  -1.592
  263   3HG2  VAL  32          HG23      VAL  32 -10.831   0.181  -0.938
  264    H    LYS  33           HN       LYS  33  -7.358   0.415  -2.231
  265    HA   LYS  33           HA       LYS  33  -6.311   1.871  -4.365
  266   1HB   LYS  33          HB2       LYS  33  -7.169  -0.916  -3.910
  267   2HB   LYS  33          HB1       LYS  33  -7.143  -0.406  -5.592
  268   1HG   LYS  33          HG2       LYS  33  -4.781   0.135  -3.858
  269   2HG   LYS  33          HG1       LYS  33  -5.037  -1.484  -4.512
  270   1HD   LYS  33          HD1       LYS  33  -5.319   0.725  -6.440
  271   2HD   LYS  33          HD2       LYS  33  -3.693   0.478  -5.799
  272   1HE   LYS  33          HE1       LYS  33  -3.747  -1.849  -6.485
  273   2HE   LYS  33          HE2       LYS  33  -5.405  -1.663  -7.056
  274   1HZ   LYS  33          HZ1       LYS  33  -3.092  -0.150  -8.139
  275   2HZ   LYS  33          HZ2       LYS  33  -4.670  -0.164  -8.746
  276   3HZ   LYS  33          HZ3       LYS  33  -3.717  -1.559  -8.837
  277    H    ASP  34           HN       ASP  34  -7.323   1.370  -6.706
  278    HA   ASP  34           HA       ASP  34  -9.851   2.810  -6.709
  279   1HB   ASP  34          HB2       ASP  34  -8.610   1.967  -9.268
  280   2HB   ASP  34          HB1       ASP  34  -9.313   3.516  -8.815
  281    H    ARG  35           HN       ARG  35  -8.500  -0.241  -7.889
  282    HA   ARG  35           HA       ARG  35 -11.104  -1.172  -8.758
  283   1HB   ARG  35          HB2       ARG  35  -8.350  -2.397  -8.770
  284   2HB   ARG  35          HB1       ARG  35  -9.782  -3.318  -9.208
  285   1HG   ARG  35          HG1       ARG  35  -9.949  -0.980 -10.710
  286   2HG   ARG  35          HG2       ARG  35  -8.248  -1.449 -10.770
  287   1HD   ARG  35          HD1       ARG  35 -10.617  -3.172 -11.484
  288   2HD   ARG  35          HD2       ARG  35  -9.452  -2.469 -12.605
  289    HE   ARG  35           HE       ARG  35  -9.133  -4.855 -11.068
  290   1HH1  ARG  35          HH21      ARG  35  -7.417  -2.185 -12.507
  291   2HH1  ARG  35          HH22      ARG  35  -5.927  -3.055 -12.655
  292   1HH2  ARG  35          HH11      ARG  35  -7.175  -6.008 -11.260
  293   2HH2  ARG  35          HH12      ARG  35  -5.790  -5.228 -11.948
  294    H    ARG  36           HN       ARG  36  -9.171  -3.602  -7.343
  295    HA   ARG  36           HA       ARG  36 -11.199  -4.161  -5.380
  296   1HB   ARG  36          HB2       ARG  36  -8.568  -5.593  -5.486
  297   2HB   ARG  36          HB1       ARG  36 -10.157  -6.221  -5.075
  298   1HG   ARG  36          HG2       ARG  36 -10.760  -6.523  -7.259
  299   2HG   ARG  36          HG1       ARG  36  -9.697  -5.241  -7.845
  300   1HD   ARG  36          HD2       ARG  36  -7.766  -6.754  -7.160
  301   2HD   ARG  36          HD1       ARG  36  -8.969  -8.034  -7.009
  302    HE   ARG  36           HE       ARG  36  -7.953  -6.876  -9.449
  303   1HH1  ARG  36          HH11      ARG  36 -10.514  -8.713  -7.963
  304   2HH1  ARG  36          HH12      ARG  36 -11.015  -9.456  -9.445
  305   1HH2  ARG  36          HH22      ARG  36  -8.607  -7.849 -11.404
  306   2HH2  ARG  36          HH21      ARG  36  -9.931  -8.965 -11.400
  307    H    ILE  37           HN       ILE  37  -7.855  -4.643  -4.538
  308    HA   ILE  37           HA       ILE  37  -7.762  -2.393  -2.718
  309    HB   ILE  37           HB       ILE  37  -8.617  -5.014  -1.828
  310   1HG1  ILE  37          HG12      ILE  37  -9.547  -2.677  -1.347
  311   2HG1  ILE  37          HG11      ILE  37  -9.473  -3.805   0.002
  312   1HG2  ILE  37          HG21      ILE  37  -6.301  -3.868  -0.279
  313   2HG2  ILE  37          HG22      ILE  37  -6.183  -5.262  -1.354
  314   3HG2  ILE  37          HG23      ILE  37  -7.213  -5.336   0.075
  315   1HD1  ILE  37          HD11      ILE  37  -7.313  -2.711   0.658
  316   2HD1  ILE  37          HD12      ILE  37  -8.756  -1.708   0.807
  317   3HD1  ILE  37          HD13      ILE  37  -7.660  -1.480  -0.555
  318    H    PHE  38           HN       PHE  38  -5.676  -2.174  -1.675
  319    HA   PHE  38           HA       PHE  38  -3.534  -3.274  -3.318
  320   1HB   PHE  38          HB1       PHE  38  -3.912  -0.771  -2.346
  321   2HB   PHE  38          HB2       PHE  38  -2.891  -1.441  -1.079
  322    HD1  PHE  38           HD1      PHE  38  -0.948  -3.047  -2.349
  323    HD2  PHE  38           HD2      PHE  38  -2.707   0.565  -3.753
  324    HE1  PHE  38           HE1      PHE  38   1.045  -2.617  -3.725
  325    HE2  PHE  38           HE2      PHE  38  -0.717   1.002  -5.133
  326    HZ   PHE  38           HZ       PHE  38   1.162  -0.590  -5.120
  327    H    GLY  39           HN       GLY  39  -1.862  -4.518  -2.516
  328   1HA   GLY  39          HA1       GLY  39  -0.999  -6.235  -1.252
  329   2HA   GLY  39          HA2       GLY  39  -1.128  -5.062   0.047
  330    H    ARG  40           HN       ARG  40  -2.459  -7.919  -1.375
  331    HA   ARG  40           HA       ARG  40  -4.647  -8.003   0.554
  332   1HB   ARG  40          HB1       ARG  40  -4.445  -8.927  -2.030
  333   2HB   ARG  40          HB2       ARG  40  -4.202 -10.390  -1.085
  334   1HG   ARG  40          HG1       ARG  40  -6.474  -8.600  -0.396
  335   2HG   ARG  40          HG2       ARG  40  -6.600  -9.643  -1.816
  336   1HD   ARG  40          HD1       ARG  40  -5.639 -10.866   0.710
  337   2HD   ARG  40          HD2       ARG  40  -7.346 -10.438   0.612
  338    HE   ARG  40           HE       ARG  40  -7.634 -12.030  -1.078
  339   1HH1  ARG  40          HH22      ARG  40  -4.331 -11.885   0.028
  340   2HH1  ARG  40          HH21      ARG  40  -3.891 -13.399  -0.686
  341   1HH2  ARG  40          HH12      ARG  40  -7.062 -14.025  -2.020
  342   2HH2  ARG  40          HH11      ARG  40  -5.442 -14.616  -1.850
  343    H    ALA  41           HN       ALA  41  -3.540  -8.223   2.472
  344    HA   ALA  41           HA       ALA  41  -1.670 -10.431   2.782
  345   1HB   ALA  41          HB1       ALA  41  -0.927  -8.405   3.741
  346   2HB   ALA  41          HB2       ALA  41  -1.392  -9.447   5.087
  347   3HB   ALA  41          HB3       ALA  41  -2.463  -8.143   4.567
  348    H    ASP  42           HN       ASP  42  -2.486 -12.370   3.206
  349    HA   ASP  42           HA       ASP  42  -5.017 -12.681   4.572
  350   1HB   ASP  42          HB2       ASP  42  -4.213 -14.145   2.648
  351   2HB   ASP  42          HB1       ASP  42  -3.088 -14.872   3.792
  352    H    ASP  43           HN       ASP  43  -1.613 -12.924   5.263
  353    HA   ASP  43           HA       ASP  43  -2.050 -14.154   7.860
  354   1HB   ASP  43          HB2       ASP  43   0.395 -13.304   6.325
  355   2HB   ASP  43          HB1       ASP  43   0.496 -13.729   8.032
  356    H    PHE  44           HN       PHE  44  -2.116 -13.108   9.764
  357    HA   PHE  44           HA       PHE  44  -2.656 -10.379   9.912
  358   1HB   PHE  44          HB2       PHE  44  -1.466 -11.831  12.252
  359   2HB   PHE  44          HB1       PHE  44  -2.761 -10.638  12.226
  360    HD1  PHE  44           HD1      PHE  44  -2.047 -14.008  12.658
  361    HD2  PHE  44           HD2      PHE  44  -4.895 -11.426  10.832
  362    HE1  PHE  44           HE1      PHE  44  -3.712 -15.819  12.703
  363    HE2  PHE  44           HE2      PHE  44  -6.566 -13.232  10.875
  364    HZ   PHE  44           HZ       PHE  44  -5.975 -15.432  11.812
  365    H    GLU  45           HN       GLU  45   0.362 -12.123  10.571
  366    HA   GLU  45           HA       GLU  45   1.859  -9.837  11.310
  367   1HB   GLU  45          HB1       GLU  45   2.349 -12.667  10.869
  368   2HB   GLU  45          HB2       GLU  45   3.677 -11.679  10.278
  369   1HG   GLU  45          HG2       GLU  45   3.544 -10.522  12.575
  370   2HG   GLU  45          HG1       GLU  45   2.618 -11.943  13.059
  371    H    GLU  46           HN       GLU  46   1.233 -11.423   8.240
  372    HA   GLU  46           HA       GLU  46   3.181 -10.021   6.731
  373   1HB   GLU  46          HB2       GLU  46   2.176 -12.116   5.952
  374   2HB   GLU  46          HB1       GLU  46   0.606 -11.334   5.839
  375   1HG   GLU  46          HG2       GLU  46   1.154 -11.078   3.688
  376   2HG   GLU  46          HG1       GLU  46   2.085  -9.702   4.278
  377    H    ALA  47           HN       ALA  47   0.033  -9.206   7.887
  378    HA   ALA  47           HA       ALA  47  -0.745  -7.253   6.045
  379   1HB   ALA  47          HB1       ALA  47  -1.911  -6.270   8.170
  380   2HB   ALA  47          HB2       ALA  47  -1.367  -7.773   8.915
  381   3HB   ALA  47          HB3       ALA  47  -2.426  -7.820   7.506
  382    H    SER  48           HN       SER  48   0.846  -6.742   9.201
  383    HA   SER  48           HA       SER  48   1.322  -4.008   8.866
  384   1HB   SER  48          HB1       SER  48   1.503  -5.433  10.999
  385   2HB   SER  48          HB2       SER  48   3.136  -5.816  10.455
  386    HG   SER  48           HG       SER  48   3.757  -3.810  10.839
  387    H    GLU  49           HN       GLU  49   3.157  -6.808   7.825
  388    HA   GLU  49           HA       GLU  49   5.539  -5.408   7.165
  389   1HB   GLU  49          HB2       GLU  49   4.553  -8.112   7.009
  390   2HB   GLU  49          HB1       GLU  49   5.356  -7.676   5.508
  391   1HG   GLU  49          HG1       GLU  49   6.802  -6.898   7.931
  392   2HG   GLU  49          HG2       GLU  49   6.599  -8.636   7.717
  393    H    LEU  50           HN       LEU  50   2.634  -6.263   5.364
  394    HA   LEU  50           HA       LEU  50   3.580  -5.462   2.821
  395   1HB   LEU  50          HB1       LEU  50   1.185  -6.529   3.939
  396   2HB   LEU  50          HB2       LEU  50   0.757  -5.126   2.981
  397    HG   LEU  50           HG       LEU  50   2.335  -7.504   1.990
  398   1HD1  LEU  50          HD11      LEU  50  -0.034  -8.000   2.447
  399   2HD1  LEU  50          HD12      LEU  50   0.357  -8.074   0.729
  400   3HD1  LEU  50          HD13      LEU  50  -0.496  -6.674   1.379
  401   1HD2  LEU  50          HD21      LEU  50   2.487  -4.982   1.034
  402   2HD2  LEU  50          HD22      LEU  50   1.129  -5.609   0.098
  403   3HD2  LEU  50          HD23      LEU  50   2.688  -6.430   0.050
  404    H    VAL  51           HN       VAL  51   1.825  -3.805   5.391
  405    HA   VAL  51           HA       VAL  51   1.297  -1.412   4.004
  406    HB   VAL  51           HB       VAL  51   1.695  -1.809   6.969
  407   1HG1  VAL  51          HG21      VAL  51   0.120   0.197   7.049
  408   2HG1  VAL  51          HG22      VAL  51   0.539   0.441   5.353
  409   3HG1  VAL  51          HG23      VAL  51   1.795   0.502   6.590
  410   1HG2  VAL  51          HG11      VAL  51  -1.036  -1.520   6.181
  411   2HG2  VAL  51          HG12      VAL  51  -0.258  -2.862   7.020
  412   3HG2  VAL  51          HG13      VAL  51  -0.297  -2.828   5.258
  413    H    ARG  52           HN       ARG  52   4.029  -2.462   5.993
  414    HA   ARG  52           HA       ARG  52   5.383   0.009   6.071
  415   1HB   ARG  52          HB2       ARG  52   5.871  -1.993   7.516
  416   2HB   ARG  52          HB1       ARG  52   6.636  -2.744   6.122
  417   1HG   ARG  52          HG2       ARG  52   8.522  -1.819   6.844
  418   2HG   ARG  52          HG1       ARG  52   7.868  -0.289   6.258
  419   1HD   ARG  52          HD2       ARG  52   8.549   0.085   8.494
  420   2HD   ARG  52          HD1       ARG  52   6.789  -0.013   8.515
  421    HE   ARG  52           HE       ARG  52   7.337  -2.491   9.137
  422   1HH1  ARG  52          HH12      ARG  52   8.975   0.390  10.217
  423   2HH1  ARG  52          HH11      ARG  52   9.449  -0.294  11.735
  424   1HH2  ARG  52          HH21      ARG  52   7.958  -3.399  11.134
  425   2HH2  ARG  52          HH22      ARG  52   8.872  -2.448  12.257
  426    H    LYS  53           HN       LYS  53   5.534  -2.718   3.821
  427    HA   LYS  53           HA       LYS  53   7.583  -1.628   2.181
  428   1HB   LYS  53          HB2       LYS  53   6.908  -4.034   2.184
  429   2HB   LYS  53          HB1       LYS  53   5.398  -3.576   1.409
  430   1HG   LYS  53          HG2       LYS  53   6.854  -4.388  -0.280
  431   2HG   LYS  53          HG1       LYS  53   6.742  -2.637  -0.476
  432   1HD   LYS  53          HD1       LYS  53   8.985  -2.713  -0.550
  433   2HD   LYS  53          HD2       LYS  53   8.871  -2.860   1.206
  434   1HE   LYS  53          HE2       LYS  53   8.516  -5.450   0.220
  435   2HE   LYS  53          HE1       LYS  53   9.828  -4.762  -0.738
  436   1HZ   LYS  53          HZ1       LYS  53   9.875  -4.434   2.179
  437   2HZ   LYS  53          HZ2       LYS  53  11.164  -4.527   1.088
  438   3HZ   LYS  53          HZ3       LYS  53  10.317  -5.926   1.519
  439    H    LEU  54           HN       LEU  54   4.108  -1.335   2.340
  440    HA   LEU  54           HA       LEU  54   3.730   0.021  -0.134
  441   1HB   LEU  54          HB1       LEU  54   2.139  -0.707   2.197
  442   2HB   LEU  54          HB2       LEU  54   1.724   0.883   1.590
  443    HG   LEU  54           HG       LEU  54   0.312  -0.940   0.668
  444   1HD1  LEU  54          HD11      LEU  54   2.013   0.688  -1.194
  445   2HD1  LEU  54          HD12      LEU  54   0.386   1.032  -0.609
  446   3HD1  LEU  54          HD13      LEU  54   0.652  -0.283  -1.753
  447   1HD2  LEU  54          HD21      LEU  54   2.901  -2.105   0.131
  448   2HD2  LEU  54          HD22      LEU  54   1.910  -2.022  -1.326
  449   3HD2  LEU  54          HD23      LEU  54   1.302  -2.848   0.110
  450    H    GLN  55           HN       GLN  55   4.710   0.946   3.065
  451    HA   GLN  55           HA       GLN  55   4.240   3.731   2.852
  452   1HB   GLN  55          HB1       GLN  55   5.961   2.031   4.632
  453   2HB   GLN  55          HB2       GLN  55   6.043   3.785   4.713
  454   1HG   GLN  55          HG1       GLN  55   3.840   3.972   5.461
  455   2HG   GLN  55          HG2       GLN  55   3.437   2.330   4.956
  456   1HE2  GLN  55          HE22      GLN  55   3.248   0.945   6.547
  457   2HE2  GLN  55          HE21      GLN  55   4.075   1.005   8.063
  458    H    GLU  56           HN       GLU  56   6.422   5.128   3.348
  459    HA   GLU  56           HA       GLU  56   7.838   5.082   0.837
  460   1HB   GLU  56          HB1       GLU  56   7.113   7.072   2.593
  461   2HB   GLU  56          HB2       GLU  56   8.836   6.909   2.904
  462   1HG   GLU  56          HG1       GLU  56   9.267   7.207   0.496
  463   2HG   GLU  56          HG2       GLU  56   7.539   7.461   0.246
  464    H    GLU  57           HN       GLU  57   8.447   2.744   1.986
  465    HA   GLU  57           HA       GLU  57  10.797   2.867   3.617
  466   1HB   GLU  57          HB1       GLU  57   9.048   0.794   2.523
  467   2HB   GLU  57          HB2       GLU  57  10.742   0.326   2.536
  468   1HG   GLU  57          HG1       GLU  57   9.284   1.387   4.941
  469   2HG   GLU  57          HG2       GLU  57   9.447  -0.327   4.564
  470    H    LYS  58           HN       LYS  58  12.838   1.760   2.942
  471    HA   LYS  58           HA       LYS  58  13.785   2.951   0.515
  472   1HB   LYS  58          HB1       LYS  58  14.935   1.839   2.928
  473   2HB   LYS  58          HB2       LYS  58  15.781   1.255   1.501
  474   1HG   LYS  58          HG1       LYS  58  16.920   3.194   2.173
  475   2HG   LYS  58          HG2       LYS  58  15.953   3.673   0.777
  476   1HD   LYS  58          HD2       LYS  58  15.023   5.278   1.998
  477   2HD   LYS  58          HD1       LYS  58  14.344   4.048   3.066
  478   1HE   LYS  58          HE2       LYS  58  15.720   4.634   4.706
  479   2HE   LYS  58          HE1       LYS  58  17.123   4.433   3.658
  480   1HZ   LYS  58          HZ1       LYS  58  16.733   6.686   2.813
  481   2HZ   LYS  58          HZ2       LYS  58  17.022   6.676   4.480
  482   3HZ   LYS  58          HZ3       LYS  58  15.447   6.871   3.897
  483    H    TYR  59           HN       TYR  59  15.154   1.665  -1.024
  484    HA   TYR  59           HA       TYR  59  13.646  -0.675  -1.871
  485   1HB   TYR  59          HB2       TYR  59  14.711   1.402  -3.274
  486   2HB   TYR  59          HB1       TYR  59  15.969   0.187  -3.475
  487    HD1  TYR  59           HD1      TYR  59  12.642   1.231  -4.426
  488    HD2  TYR  59           HD2      TYR  59  15.407  -2.000  -4.538
  489    HE1  TYR  59           HE1      TYR  59  11.326   0.174  -6.216
  490    HE2  TYR  59           HE2      TYR  59  14.100  -3.066  -6.327
  491    HH   TYR  59           HH       TYR  59  12.451  -2.735  -7.851
  492    H    GLY  60           HN       GLY  60  15.932  -0.352   0.304
  493   1HA   GLY  60          HA1       GLY  60  17.350  -1.894   1.270
  494   2HA   GLY  60          HA2       GLY  60  16.880  -3.036   0.019
  495    H    SER  61           HN       SER  61  18.675   0.039   0.220
  496    HA   SER  61           HA       SER  61  20.499  -0.885  -1.843
  497   1HB   SER  61          HB2       SER  61  19.549   1.637  -1.014
  498   2HB   SER  61          HB1       SER  61  21.275   1.624  -0.650
  499    HG   SER  61           HG       SER  61  21.448   0.754  -2.905
  500    H    CYS  62           HN       CYS  62  22.835  -0.750  -1.546
  501    HA   CYS  62           HA       CYS  62  23.605  -1.891   1.006
  502   1HB   CYS  62          HB1       CYS  62  24.455  -2.214  -1.651
  503   2HB   CYS  62          HB2       CYS  62  25.808  -1.460  -0.815
  504    HG   CYS  62           HG       CYS  62  26.343  -3.694   0.002
  505    H    HIS  63           HN       HIS  63  24.497   0.905  -0.995
  506    HA   HIS  63           HA       HIS  63  26.038   2.001   1.239
  507   1HB   HIS  63          HB2       HIS  63  26.342   2.064  -1.585
  508   2HB   HIS  63          HB1       HIS  63  26.057   3.717  -1.051
  509    HD2  HIS  63           HD2      HIS  63  29.014   2.228  -2.027
  510    HE1  HIS  63           HE1      HIS  63  30.059   3.525   1.865
  511    HE2  HIS  63           HE2      HIS  63  30.949   2.737  -0.376
  512    H    PHE  64           HN       PHE  64  25.451   3.789   2.347
  513    HA   PHE  64           HA       PHE  64  22.732   4.686   2.108
  514   1HB   PHE  64          HB2       PHE  64  24.936   5.759   3.884
  515   2HB   PHE  64          HB1       PHE  64  23.209   6.043   4.071
  516    HD1  PHE  64           HD1      PHE  64  25.810   4.337   5.439
  517    HD2  PHE  64           HD2      PHE  64  21.865   3.632   4.006
  518    HE1  PHE  64           HE1      PHE  64  25.645   2.352   6.884
  519    HE2  PHE  64           HE2      PHE  64  21.692   1.644   5.447
  520    HZ   PHE  64           HZ       PHE  64  23.583   1.003   6.888
  521    H    THR  65           HN       THR  65  22.257   5.969   0.432
  522    HA   THR  65           HA       THR  65  24.128   8.075  -0.349
  523    HB   THR  65           HB       THR  65  21.541   7.445  -1.750
  524    HG1  THR  65           HG1      THR  65  24.017   6.144  -2.202
  525   1HG2  THR  65          HG21      THR  65  23.242   9.389  -2.313
  526   2HG2  THR  65          HG22      THR  65  22.385   8.489  -3.566
  527   3HG2  THR  65          HG23      THR  65  24.054   8.079  -3.171
  528    H    ASN  66           HN       ASN  66  23.622   9.217   1.693
  529    HA   ASN  66           HA       ASN  66  21.003  10.443   1.887
  530   1HB   ASN  66          HB2       ASN  66  23.380  10.192   3.612
  531   2HB   ASN  66          HB1       ASN  66  22.533  11.730   3.749
  532   1HD2  ASN  66          HD21      ASN  66  21.849   8.253   3.606
  533   2HD2  ASN  66          HD22      ASN  66  20.607   8.276   4.807
  534    HA   PRO  67           HA       PRO  67  21.842  14.076  -0.459
  535   1HB   PRO  67          HB2       PRO  67  20.344  15.580   1.607
  536   2HB   PRO  67          HB1       PRO  67  20.031  15.429  -0.125
  537   1HG   PRO  67          HG1       PRO  67  18.499  14.170   1.664
  538   2HG   PRO  67          HG2       PRO  67  18.921  13.409   0.118
  539   1HD   PRO  67          HD2       PRO  67  20.058  12.923   2.844
  540   2HD   PRO  67          HD1       PRO  67  19.670  11.759   1.560
  541    H    SER  68           HN       SER  68  21.938  14.710   3.056
  542    HA   SER  68           HA       SER  68  23.966  16.736   2.710
  543   1HB   SER  68          HB1       SER  68  23.760  17.100   5.085
  544   2HB   SER  68          HB2       SER  68  22.137  16.889   4.427
  545    HG   SER  68           HG       SER  68  21.913  15.277   5.735
  546    H    LYS  69           HN       LYS  69  24.337  13.664   2.286
  547    HA   LYS  69           HA       LYS  69  26.517  13.138   4.135
  548   1HB   LYS  69          HB1       LYS  69  24.802  11.405   3.349
  549   2HB   LYS  69          HB2       LYS  69  25.675  11.398   1.823
  550   1HG   LYS  69          HG2       LYS  69  27.482  10.324   2.699
  551   2HG   LYS  69          HG1       LYS  69  27.236  10.992   4.313
  552   1HD   LYS  69          HD1       LYS  69  25.001   9.348   3.611
  553   2HD   LYS  69          HD2       LYS  69  26.496   8.446   3.360
  554   1HE   LYS  69          HE2       LYS  69  25.760   9.914   5.890
  555   2HE   LYS  69          HE1       LYS  69  25.580   8.178   5.639
  556   1HZ   LYS  69          HZ1       LYS  69  28.168   9.615   5.443
  557   2HZ   LYS  69          HZ2       LYS  69  27.927   7.941   5.426
  558   3HZ   LYS  69          HZ3       LYS  69  27.631   8.825   6.839
  559    H    ARG  70           HN       ARG  70  28.631  13.290   3.676
  560    HA   ARG  70           HA       ARG  70  29.407  14.550   1.195
  561   1HB   ARG  70          HB2       ARG  70  30.351  14.643   3.796
  562   2HB   ARG  70          HB1       ARG  70  31.577  13.702   2.959
  563   1HG   ARG  70          HG1       ARG  70  30.654  16.206   1.667
  564   2HG   ARG  70          HG2       ARG  70  31.672  16.342   3.103
  565   1HD   ARG  70          HD2       ARG  70  33.396  15.023   2.074
  566   2HD   ARG  70          HD1       ARG  70  32.364  14.684   0.684
  567    HE   ARG  70           HE       ARG  70  33.483  17.333   1.335
  568   1HH1  ARG  70          HH11      ARG  70  32.272  14.996  -0.950
  569   2HH1  ARG  70          HH12      ARG  70  32.626  15.976  -2.333
  570   1HH2  ARG  70          HH21      ARG  70  33.951  18.628  -0.482
  571   2HH2  ARG  70          HH22      ARG  70  33.579  18.039  -2.068
  572    H    GLU  71           HN       GLU  71  28.427  12.100   0.570
  573    HA   GLU  71           HA       GLU  71  30.647  10.239   0.313
  574   1HB   GLU  71          HB1       GLU  71  28.308   9.495   0.876
  575   2HB   GLU  71          HB2       GLU  71  27.835   9.955  -0.753
  576   1HG   GLU  71          HG1       GLU  71  29.589   8.360  -1.592
  577   2HG   GLU  71          HG2       GLU  71  29.749   7.792   0.070
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1  -9.456 -12.647   6.964
    2   2H    MET   1          HT2       MET   1  -9.496 -13.612   5.545
    3   3H    MET   1          HT3       MET   1 -10.103 -12.008   5.510
    4    HA   MET   1           HA       MET   1  -7.311 -12.694   6.112
    5   1HB   MET   1          HB2       MET   1  -6.879 -12.001   3.763
    6   2HB   MET   1          HB1       MET   1  -7.837 -13.470   3.880
    7   1HG   MET   1          HG2       MET   1  -9.537 -11.153   3.780
    8   2HG   MET   1          HG1       MET   1  -8.422 -11.176   2.416
    9   1HE   MET   1          HE1       MET   1 -11.434 -12.050   3.928
   10   2HE   MET   1          HE2       MET   1 -11.330 -13.801   4.107
   11   3HE   MET   1          HE3       MET   1 -12.273 -13.105   2.789
   12    H    TYR   2           HN       TYR   2  -6.198 -10.577   4.825
   13    HA   TYR   2           HA       TYR   2  -7.481  -8.205   5.999
   14   1HB   TYR   2          HB2       TYR   2  -4.781  -9.311   6.512
   15   2HB   TYR   2          HB1       TYR   2  -4.868  -7.567   6.281
   16    HD1  TYR   2           HD1      TYR   2  -6.818 -10.187   8.117
   17    HD2  TYR   2           HD2      TYR   2  -5.017  -6.334   8.211
   18    HE1  TYR   2           HE1      TYR   2  -7.532  -9.917  10.454
   19    HE2  TYR   2           HE2      TYR   2  -5.726  -6.053  10.549
   20    HH   TYR   2           HH       TYR   2  -7.975  -7.496  11.976
   21    H    ILE   3           HN       ILE   3  -6.822  -6.180   5.054
   22    HA   ILE   3           HA       ILE   3  -5.742  -6.423   2.324
   23    HB   ILE   3           HB       ILE   3  -7.339  -4.602   1.668
   24   1HG1  ILE   3          HG11      ILE   3  -9.001  -5.353   4.046
   25   2HG1  ILE   3          HG12      ILE   3  -7.760  -4.115   4.219
   26   1HG2  ILE   3          HG21      ILE   3  -8.948  -6.940   2.586
   27   2HG2  ILE   3          HG22      ILE   3  -7.654  -7.175   1.411
   28   3HG2  ILE   3          HG23      ILE   3  -8.987  -6.079   1.046
   29   1HD1  ILE   3          HD11      ILE   3 -10.103  -3.325   3.712
   30   2HD1  ILE   3          HD12      ILE   3  -9.866  -3.982   2.093
   31   3HD1  ILE   3          HD13      ILE   3  -8.816  -2.694   2.683
   32    H    ILE   4           HN       ILE   4  -4.936  -4.341   1.450
   33    HA   ILE   4           HA       ILE   4  -4.092  -2.473   3.561
   34    HB   ILE   4           HB       ILE   4  -2.403  -3.824   1.489
   35   1HG1  ILE   4          HG12      ILE   4  -0.840  -3.491   3.645
   36   2HG1  ILE   4          HG11      ILE   4  -2.410  -3.397   4.435
   37   1HG2  ILE   4          HG21      ILE   4  -0.739  -1.886   2.476
   38   2HG2  ILE   4          HG22      ILE   4  -2.241  -1.000   2.207
   39   3HG2  ILE   4          HG23      ILE   4  -1.487  -1.880   0.876
   40   1HD1  ILE   4          HD11      ILE   4  -2.971  -5.580   3.824
   41   2HD1  ILE   4          HD12      ILE   4  -1.283  -5.666   4.326
   42   3HD1  ILE   4          HD13      ILE   4  -1.694  -5.661   2.611
   43    H    PHE   5           HN       PHE   5  -3.856  -0.284   2.901
   44    HA   PHE   5           HA       PHE   5  -4.761   0.393   0.202
   45   1HB   PHE   5          HB1       PHE   5  -6.164   2.225   1.668
   46   2HB   PHE   5          HB2       PHE   5  -6.843   0.763   0.968
   47    HD1  PHE   5           HD1      PHE   5  -7.151  -1.254   2.382
   48    HD2  PHE   5           HD2      PHE   5  -6.018   2.513   3.999
   49    HE1  PHE   5           HE1      PHE   5  -7.840  -2.009   4.619
   50    HE2  PHE   5           HE2      PHE   5  -6.705   1.765   6.235
   51    HZ   PHE   5           HZ       PHE   5  -7.615  -0.494   6.547
   52    H    ARG   6           HN       ARG   6  -5.104   3.159   0.639
   53    HA   ARG   6           HA       ARG   6  -2.560   4.047   1.785
   54   1HB   ARG   6          HB2       ARG   6  -3.426   4.439  -1.073
   55   2HB   ARG   6          HB1       ARG   6  -2.244   5.488  -0.305
   56   1HG   ARG   6          HG1       ARG   6  -0.626   4.025  -0.673
   57   2HG   ARG   6          HG2       ARG   6  -1.537   2.746   0.131
   58   1HD   ARG   6          HD1       ARG   6  -0.914   2.311  -2.276
   59   2HD   ARG   6          HD2       ARG   6  -2.619   2.120  -1.872
   60    HE   ARG   6           HE       ARG   6  -3.007   4.288  -2.912
   61   1HH1  ARG   6          HH11      ARG   6   0.025   2.708  -3.589
   62   2HH1  ARG   6          HH12      ARG   6   0.286   3.565  -5.072
   63   1HH2  ARG   6          HH21      ARG   6  -2.671   5.418  -4.862
   64   2HH2  ARG   6          HH22      ARG   6  -1.246   5.105  -5.796
   65    H    CYS   7           HN       CYS   7  -2.729   5.909   2.872
   66    HA   CYS   7           HA       CYS   7  -5.264   7.223   3.047
   67   1HB   CYS   7          HB2       CYS   7  -3.683   6.914   4.979
   68   2HB   CYS   7          HB1       CYS   7  -2.627   8.108   4.230
   69    HG   CYS   7           HG       CYS   7  -5.293   9.365   4.604
   70    H    ASP   8           HN       ASP   8  -5.409   9.649   2.863
   71    HA   ASP   8           HA       ASP   8  -4.795  10.441   0.254
   72   1HB   ASP   8          HB1       ASP   8  -6.085  11.617   2.590
   73   2HB   ASP   8          HB2       ASP   8  -5.208  12.814   1.641
   74    H    CYS   9           HN       CYS   9  -3.036  10.790   3.230
   75    HA   CYS   9           HA       CYS   9  -1.172  12.747   2.266
   76   1HB   CYS   9          HB1       CYS   9  -1.702  12.317   4.694
   77   2HB   CYS   9          HB2       CYS   9  -0.803  10.809   4.556
   78    HG   CYS   9           HG       CYS   9   0.970  12.360   5.388
   79    H    GLY  10           HN       GLY  10  -1.744   9.754   1.232
   80   1HA   GLY  10          HA2       GLY  10  -0.499   8.470  -0.260
   81   2HA   GLY  10          HA1       GLY  10   0.924   9.418   0.150
   82    H    ARG  11           HN       ARG  11  -0.954   8.165   2.737
   83    HA   ARG  11           HA       ARG  11   1.283   6.557   3.617
   84   1HB   ARG  11          HB1       ARG  11  -1.382   6.655   4.994
   85   2HB   ARG  11          HB2       ARG  11   0.216   6.413   5.690
   86   1HG   ARG  11          HG2       ARG  11   0.214   8.947   4.433
   87   2HG   ARG  11          HG1       ARG  11  -1.256   8.824   5.402
   88   1HD   ARG  11          HD1       ARG  11  -0.114   9.038   7.298
   89   2HD   ARG  11          HD2       ARG  11   1.009   7.761   6.832
   90    HE   ARG  11           HE       ARG  11   1.991   9.748   5.415
   91   1HH1  ARG  11          HH11      ARG  11   0.811   9.785   8.694
   92   2HH1  ARG  11          HH12      ARG  11   1.866  11.062   9.196
   93   1HH2  ARG  11          HH21      ARG  11   3.384  11.431   6.069
   94   2HH2  ARG  11          HH22      ARG  11   3.328  11.998   7.705
   95    H    ALA  12           HN       ALA  12  -0.114   4.561   5.032
   96    HA   ALA  12           HA       ALA  12  -1.677   2.992   3.213
   97   1HB   ALA  12          HB1       ALA  12   0.069   1.064   3.390
   98   2HB   ALA  12          HB2       ALA  12   1.217   2.385   3.618
   99   3HB   ALA  12          HB3       ALA  12   0.247   2.304   2.148
  100    H    LEU  13           HN       LEU  13  -2.954   1.604   4.351
  101    HA   LEU  13           HA       LEU  13  -2.143   0.913   7.088
  102   1HB   LEU  13          HB1       LEU  13  -4.683   2.203   6.161
  103   2HB   LEU  13          HB2       LEU  13  -4.678   1.202   7.598
  104    HG   LEU  13           HG       LEU  13  -4.470   3.457   8.298
  105   1HD1  LEU  13          HD11      LEU  13  -1.617   2.814   8.541
  106   2HD1  LEU  13          HD12      LEU  13  -2.729   1.544   9.056
  107   3HD1  LEU  13          HD13      LEU  13  -2.818   3.146   9.789
  108   1HD2  LEU  13          HD21      LEU  13  -3.502   4.104   5.955
  109   2HD2  LEU  13          HD22      LEU  13  -1.962   3.947   6.798
  110   3HD2  LEU  13          HD23      LEU  13  -3.174   5.087   7.381
  111    H    TYR  14           HN       TYR  14  -4.059  -0.644   7.972
  112    HA   TYR  14           HA       TYR  14  -4.660  -2.642   5.898
  113   1HB   TYR  14          HB2       TYR  14  -3.949  -4.435   7.482
  114   2HB   TYR  14          HB1       TYR  14  -2.624  -3.422   6.920
  115    HD1  TYR  14           HD1      TYR  14  -1.544  -1.828   8.443
  116    HD2  TYR  14           HD2      TYR  14  -4.616  -4.443   9.796
  117    HE1  TYR  14           HE1      TYR  14  -0.897  -1.373  10.772
  118    HE2  TYR  14           HE2      TYR  14  -3.978  -3.996  12.128
  119    HH   TYR  14           HH       TYR  14  -2.304  -1.514  13.134
  120    H    SER  15           HN       SER  15  -6.539  -3.790   6.188
  121    HA   SER  15           HA       SER  15  -7.976  -3.730   8.689
  122   1HB   SER  15          HB1       SER  15  -8.565  -1.544   7.576
  123   2HB   SER  15          HB2       SER  15  -9.303  -2.478   6.277
  124    HG   SER  15           HG       SER  15 -10.881  -3.105   7.599
  125    H    ARG  16           HN       ARG  16 -10.442  -4.559   7.927
  126    HA   ARG  16           HA       ARG  16  -9.913  -7.226   7.006
  127   1HB   ARG  16          HB1       ARG  16 -12.246  -7.660   7.440
  128   2HB   ARG  16          HB2       ARG  16 -11.583  -6.725   8.774
  129   1HG   ARG  16          HG2       ARG  16 -12.825  -5.168   6.604
  130   2HG   ARG  16          HG1       ARG  16 -13.914  -6.167   7.568
  131   1HD   ARG  16          HD1       ARG  16 -12.432  -5.048   9.522
  132   2HD   ARG  16          HD2       ARG  16 -12.380  -3.763   8.316
  133    HE   ARG  16           HE       ARG  16 -14.822  -4.844   9.554
  134   1HH1  ARG  16          HH11      ARG  16 -13.145  -2.352   7.788
  135   2HH1  ARG  16          HH12      ARG  16 -14.461  -1.231   7.868
  136   1HH2  ARG  16          HH21      ARG  16 -16.560  -3.372   9.664
  137   2HH2  ARG  16          HH22      ARG  16 -16.401  -1.810   8.934
  138    H    GLU  17           HN       GLU  17 -10.675  -8.224   5.144
  139    HA   GLU  17           HA       GLU  17 -10.569  -6.771   2.771
  140   1HB   GLU  17          HB1       GLU  17 -10.368  -9.338   3.244
  141   2HB   GLU  17          HB2       GLU  17 -12.097  -9.345   2.931
  142   1HG   GLU  17          HG2       GLU  17 -11.042  -7.891   0.826
  143   2HG   GLU  17          HG1       GLU  17  -9.878  -9.192   1.083
  144    H    GLY  18           HN       GLY  18 -11.937  -5.175   2.260
  145   1HA   GLY  18          HA2       GLY  18 -14.317  -5.250   1.188
  146   2HA   GLY  18          HA1       GLY  18 -14.792  -5.500   2.860
  147    H    ALA  19           HN       ALA  19 -12.238  -3.620   3.260
  148    HA   ALA  19           HA       ALA  19 -13.798  -1.274   3.727
  149   1HB   ALA  19          HB1       ALA  19 -11.777  -2.086   5.056
  150   2HB   ALA  19          HB2       ALA  19 -11.887  -0.358   4.720
  151   3HB   ALA  19          HB3       ALA  19 -10.800  -1.373   3.772
  152    H    LYS  20           HN       LYS  20 -14.376   0.148   2.233
  153    HA   LYS  20           HA       LYS  20 -12.870   0.351  -0.258
  154   1HB   LYS  20          HB2       LYS  20 -15.424   1.774   0.513
  155   2HB   LYS  20          HB1       LYS  20 -14.743   1.621  -1.101
  156   1HG   LYS  20          HG1       LYS  20 -16.121  -0.106  -1.346
  157   2HG   LYS  20          HG2       LYS  20 -15.003  -0.992  -0.307
  158   1HD   LYS  20          HD1       LYS  20 -16.307  -0.327   1.657
  159   2HD   LYS  20          HD2       LYS  20 -17.426   0.553   0.613
  160   1HE   LYS  20          HE1       LYS  20 -18.436  -1.333  -0.125
  161   2HE   LYS  20          HE2       LYS  20 -16.948  -2.277  -0.073
  162   1HZ   LYS  20          HZ1       LYS  20 -18.980  -1.925   1.954
  163   2HZ   LYS  20          HZ2       LYS  20 -17.391  -1.835   2.528
  164   3HZ   LYS  20          HZ3       LYS  20 -17.916  -3.214   1.700
  165    H    THR  21           HN       THR  21 -13.901   2.382   2.449
  166    HA   THR  21           HA       THR  21 -11.638   4.139   1.981
  167    HB   THR  21           HB       THR  21 -13.646   5.987   2.476
  168    HG1  THR  21           HG1      THR  21 -15.300   5.535   1.130
  169   1HG2  THR  21          HG21      THR  21 -12.395   6.923   0.911
  170   2HG2  THR  21          HG22      THR  21 -13.379   6.051  -0.265
  171   3HG2  THR  21          HG23      THR  21 -11.857   5.359   0.298
  172    H    ARG  22           HN       ARG  22 -10.675   4.083   3.936
  173    HA   ARG  22           HA       ARG  22 -12.357   3.915   6.318
  174   1HB   ARG  22          HB1       ARG  22  -9.809   2.876   5.624
  175   2HB   ARG  22          HB2       ARG  22  -9.573   3.989   6.963
  176   1HG   ARG  22          HG2       ARG  22 -11.772   1.997   7.148
  177   2HG   ARG  22          HG1       ARG  22 -10.107   1.451   7.368
  178   1HD   ARG  22          HD1       ARG  22 -10.726   1.975   9.527
  179   2HD   ARG  22          HD2       ARG  22  -9.938   3.462   9.001
  180    HE   ARG  22           HE       ARG  22 -12.057   4.494   8.835
  181   1HH1  ARG  22          HH11      ARG  22 -12.204   1.244  10.084
  182   2HH1  ARG  22          HH12      ARG  22 -13.790   1.435  10.754
  183   1HH2  ARG  22          HH22      ARG  22 -14.145   4.754   9.714
  184   2HH2  ARG  22          HH21      ARG  22 -14.893   3.430  10.544
  185    H    LYS  23           HN       LYS  23 -10.320   5.162   8.035
  186    HA   LYS  23           HA       LYS  23 -10.219   7.921   7.121
  187   1HB   LYS  23          HB1       LYS  23 -12.430   7.776   8.142
  188   2HB   LYS  23          HB2       LYS  23 -11.737   7.082   9.601
  189   1HG   LYS  23          HG2       LYS  23 -10.577   9.146  10.077
  190   2HG   LYS  23          HG1       LYS  23 -11.150   9.846   8.563
  191   1HD   LYS  23          HD2       LYS  23 -13.455   8.957   9.836
  192   2HD   LYS  23          HD1       LYS  23 -12.476   9.652  11.129
  193   1HE   LYS  23          HE2       LYS  23 -12.598  11.228   8.646
  194   2HE   LYS  23          HE1       LYS  23 -14.120  11.081   9.524
  195   1HZ   LYS  23          HZ1       LYS  23 -12.687  11.734  11.546
  196   2HZ   LYS  23          HZ2       LYS  23 -13.167  12.940  10.462
  197   3HZ   LYS  23          HZ3       LYS  23 -11.595  12.319  10.394
  198    H    CYS  24           HN       CYS  24  -8.709   9.177   8.182
  199    HA   CYS  24           HA       CYS  24  -6.811   7.672   9.824
  200   1HB   CYS  24          HB2       CYS  24  -6.524   9.590   7.730
  201   2HB   CYS  24          HB1       CYS  24  -5.841  10.280   9.198
  202    HG   CYS  24           HG       CYS  24  -3.963   8.964   8.019
  203    H    VAL  25           HN       VAL  25  -6.599   8.052  11.918
  204    HA   VAL  25           HA       VAL  25  -8.351   9.812  13.281
  205    HB   VAL  25           HB       VAL  25  -5.903   8.718  14.602
  206   1HG1  VAL  25          HG11      VAL  25  -7.663  10.094  15.780
  207   2HG1  VAL  25          HG12      VAL  25  -7.309   8.522  16.498
  208   3HG1  VAL  25          HG13      VAL  25  -8.766   8.741  15.529
  209   1HG2  VAL  25          HG21      VAL  25  -7.437   7.123  12.948
  210   2HG2  VAL  25          HG22      VAL  25  -8.111   6.833  14.553
  211   3HG2  VAL  25          HG23      VAL  25  -6.393   6.568  14.258
  212    H    CYS  26           HN       CYS  26  -5.323  10.257  11.814
  213    HA   CYS  26           HA       CYS  26  -4.305  12.344  13.460
  214   1HB   CYS  26          HB2       CYS  26  -3.247  10.859  11.460
  215   2HB   CYS  26          HB1       CYS  26  -3.602  12.343  10.581
  216    HG   CYS  26           HG       CYS  26  -1.165  12.377  11.623
  217    H    GLY  27           HN       GLY  27  -6.754  12.181  11.059
  218   1HA   GLY  27          HA1       GLY  27  -8.315  14.112  11.136
  219   2HA   GLY  27          HA2       GLY  27  -6.892  15.134  11.003
  220    H    ARG  28           HN       ARG  28  -8.187  12.295   9.261
  221    HA   ARG  28           HA       ARG  28  -8.636  13.716   6.849
  222   1HB   ARG  28          HB1       ARG  28  -6.754  12.023   5.775
  223   2HB   ARG  28          HB2       ARG  28  -6.541  13.750   6.030
  224   1HG   ARG  28          HG2       ARG  28  -5.556  13.236   8.253
  225   2HG   ARG  28          HG1       ARG  28  -5.653  11.522   7.846
  226   1HD   ARG  28          HD2       ARG  28  -3.420  12.566   7.436
  227   2HD   ARG  28          HD1       ARG  28  -4.139  11.788   6.026
  228    HE   ARG  28           HE       ARG  28  -4.664  13.974   5.169
  229   1HH1  ARG  28          HH11      ARG  28  -2.527  13.902   7.919
  230   2HH1  ARG  28          HH12      ARG  28  -1.867  15.474   7.612
  231   1HH2  ARG  28          HH22      ARG  28  -3.802  16.045   4.756
  232   2HH2  ARG  28          HH21      ARG  28  -2.592  16.691   5.814
  233    H    THR  29           HN       THR  29  -8.325  11.733   4.977
  234    HA   THR  29           HA       THR  29  -9.767   9.401   6.028
  235    HB   THR  29           HB       THR  29 -10.596  11.045   3.623
  236    HG1  THR  29           HG1      THR  29 -12.399  10.505   5.625
  237   1HG2  THR  29          HG21      THR  29 -11.455   9.154   2.832
  238   2HG2  THR  29          HG22      THR  29 -12.646   9.323   4.121
  239   3HG2  THR  29          HG23      THR  29 -11.229   8.301   4.359
  240    H    VAL  30           HN       VAL  30  -9.152   7.501   5.138
  241    HA   VAL  30           HA       VAL  30  -7.011   7.629   3.141
  242    HB   VAL  30           HB       VAL  30  -6.277   6.454   5.035
  243   1HG1  VAL  30          HG11      VAL  30  -8.072   5.974   6.350
  244   2HG1  VAL  30          HG12      VAL  30  -7.686   4.365   5.740
  245   3HG1  VAL  30          HG13      VAL  30  -9.001   5.291   5.016
  246   1HG2  VAL  30          HG21      VAL  30  -5.365   4.804   3.864
  247   2HG2  VAL  30          HG22      VAL  30  -6.517   5.151   2.574
  248   3HG2  VAL  30          HG23      VAL  30  -6.901   3.941   3.799
  249    H    ASN  31           HN       ASN  31  -7.406   7.124   1.123
  250    HA   ASN  31           HA       ASN  31  -9.824   5.622   0.440
  251   1HB   ASN  31          HB2       ASN  31  -8.884   7.897  -0.657
  252   2HB   ASN  31          HB1       ASN  31  -8.093   6.722  -1.703
  253   1HD2  ASN  31          HD22      ASN  31 -10.090   4.744  -1.660
  254   2HD2  ASN  31          HD21      ASN  31 -11.456   5.343  -2.531
  255    H    VAL  32           HN       VAL  32  -9.682   3.515   0.017
  256    HA   VAL  32           HA       VAL  32  -7.196   2.159  -0.101
  257    HB   VAL  32           HB       VAL  32  -8.378   0.158  -0.329
  258   1HG1  VAL  32          HG11      VAL  32 -10.642   0.944   1.054
  259   2HG1  VAL  32          HG12      VAL  32  -9.460   2.202   1.420
  260   3HG1  VAL  32          HG13      VAL  32  -9.083   0.511   1.754
  261   1HG2  VAL  32          HG21      VAL  32  -9.716   1.048  -2.338
  262   2HG2  VAL  32          HG22      VAL  32 -10.920   1.518  -1.140
  263   3HG2  VAL  32          HG23      VAL  32 -10.460  -0.176  -1.307
  264    H    LYS  33           HN       LYS  33  -7.446   0.306  -2.144
  265    HA   LYS  33           HA       LYS  33  -6.218   1.612  -4.280
  266   1HB   LYS  33          HB2       LYS  33  -6.754  -1.027  -3.569
  267   2HB   LYS  33          HB1       LYS  33  -7.576  -0.819  -5.109
  268   1HG   LYS  33          HG1       LYS  33  -5.369   0.166  -5.945
  269   2HG   LYS  33          HG2       LYS  33  -4.659  -0.537  -4.490
  270   1HD   LYS  33          HD2       LYS  33  -4.343  -2.233  -6.018
  271   2HD   LYS  33          HD1       LYS  33  -5.878  -2.704  -5.285
  272   1HE   LYS  33          HE1       LYS  33  -7.044  -2.333  -7.176
  273   2HE   LYS  33          HE2       LYS  33  -6.099  -0.905  -7.599
  274   1HZ   LYS  33          HZ1       LYS  33  -5.896  -2.945  -9.084
  275   2HZ   LYS  33          HZ2       LYS  33  -4.968  -3.623  -7.844
  276   3HZ   LYS  33          HZ3       LYS  33  -4.459  -2.197  -8.598
  277    H    ASP  34           HN       ASP  34  -7.187   1.100  -6.642
  278    HA   ASP  34           HA       ASP  34  -9.578   2.746  -6.786
  279   1HB   ASP  34          HB2       ASP  34  -7.587   1.761  -8.823
  280   2HB   ASP  34          HB1       ASP  34  -9.095   2.529  -9.310
  281    H    ARG  35           HN       ARG  35  -8.477  -0.440  -7.883
  282    HA   ARG  35           HA       ARG  35 -11.171  -1.174  -8.688
  283   1HB   ARG  35          HB2       ARG  35  -9.073  -1.873  -9.942
  284   2HB   ARG  35          HB1       ARG  35  -8.739  -2.961  -8.601
  285   1HG   ARG  35          HG2       ARG  35 -11.008  -3.979  -9.020
  286   2HG   ARG  35          HG1       ARG  35 -11.053  -3.041 -10.516
  287   1HD   ARG  35          HD1       ARG  35  -8.539  -4.358 -10.361
  288   2HD   ARG  35          HD2       ARG  35  -9.802  -5.543 -10.028
  289    HE   ARG  35           HE       ARG  35 -10.183  -3.849 -12.360
  290   1HH1  ARG  35          HH12      ARG  35  -9.164  -6.925 -11.075
  291   2HH1  ARG  35          HH11      ARG  35  -9.308  -7.750 -12.591
  292   1HH2  ARG  35          HH21      ARG  35 -10.375  -4.929 -14.360
  293   2HH2  ARG  35          HH22      ARG  35  -9.996  -6.616 -14.458
  294    H    ARG  36           HN       ARG  36  -9.353  -3.718  -7.297
  295    HA   ARG  36           HA       ARG  36 -11.356  -4.142  -5.281
  296   1HB   ARG  36          HB2       ARG  36  -8.754  -5.642  -5.544
  297   2HB   ARG  36          HB1       ARG  36 -10.265  -6.205  -4.841
  298   1HG   ARG  36          HG2       ARG  36 -10.867  -5.517  -7.487
  299   2HG   ARG  36          HG1       ARG  36  -9.333  -6.389  -7.545
  300   1HD   ARG  36          HD1       ARG  36 -10.478  -8.285  -7.375
  301   2HD   ARG  36          HD2       ARG  36 -10.928  -7.805  -5.739
  302    HE   ARG  36           HE       ARG  36 -12.545  -7.295  -8.149
  303   1HH1  ARG  36          HH21      ARG  36 -12.244  -7.766  -4.709
  304   2HH1  ARG  36          HH22      ARG  36 -13.952  -7.751  -4.427
  305   1HH2  ARG  36          HH12      ARG  36 -14.795  -7.274  -7.787
  306   2HH2  ARG  36          HH11      ARG  36 -15.402  -7.471  -6.177
  307    H    ILE  37           HN       ILE  37  -7.989  -4.678  -4.525
  308    HA   ILE  37           HA       ILE  37  -7.802  -2.415  -2.731
  309    HB   ILE  37           HB       ILE  37  -8.657  -5.019  -1.780
  310   1HG1  ILE  37          HG12      ILE  37  -9.562  -2.674  -1.299
  311   2HG1  ILE  37          HG11      ILE  37  -9.438  -3.778   0.066
  312   1HG2  ILE  37          HG21      ILE  37  -6.192  -5.246  -1.399
  313   2HG2  ILE  37          HG22      ILE  37  -7.185  -5.350   0.054
  314   3HG2  ILE  37          HG23      ILE  37  -6.300  -3.866  -0.303
  315   1HD1  ILE  37          HD11      ILE  37  -7.205  -2.667   0.552
  316   2HD1  ILE  37          HD12      ILE  37  -8.665  -1.728   0.863
  317   3HD1  ILE  37          HD13      ILE  37  -7.711  -1.422  -0.590
  318    H    PHE  38           HN       PHE  38  -5.682  -2.149  -1.851
  319    HA   PHE  38           HA       PHE  38  -3.625  -3.438  -3.474
  320   1HB   PHE  38          HB1       PHE  38  -3.904  -0.847  -2.858
  321   2HB   PHE  38          HB2       PHE  38  -2.933  -1.343  -1.475
  322    HD1  PHE  38           HD1      PHE  38  -0.690  -2.342  -1.847
  323    HD2  PHE  38           HD2      PHE  38  -2.950  -0.599  -5.003
  324    HE1  PHE  38           HE1      PHE  38   1.350  -2.183  -3.213
  325    HE2  PHE  38           HE2      PHE  38  -0.916  -0.436  -6.375
  326    HZ   PHE  38           HZ       PHE  38   1.238  -1.229  -5.482
  327    H    GLY  39           HN       GLY  39  -1.749  -4.380  -2.504
  328   1HA   GLY  39          HA1       GLY  39  -0.814  -5.936  -1.088
  329   2HA   GLY  39          HA2       GLY  39  -1.150  -4.724   0.138
  330    H    ARG  40           HN       ARG  40  -2.229  -7.692  -1.341
  331    HA   ARG  40           HA       ARG  40  -4.470  -7.902   0.518
  332   1HB   ARG  40          HB1       ARG  40  -4.308  -8.667  -2.057
  333   2HB   ARG  40          HB2       ARG  40  -3.793 -10.158  -1.282
  334   1HG   ARG  40          HG1       ARG  40  -6.291  -8.764  -0.410
  335   2HG   ARG  40          HG2       ARG  40  -6.286  -9.837  -1.812
  336   1HD   ARG  40          HD2       ARG  40  -5.092 -11.482  -0.159
  337   2HD   ARG  40          HD1       ARG  40  -5.850 -10.471   1.071
  338    HE   ARG  40           HE       ARG  40  -7.874 -11.389   0.529
  339   1HH1  ARG  40          HH12      ARG  40  -5.588 -12.107  -2.001
  340   2HH1  ARG  40          HH11      ARG  40  -6.653 -13.192  -2.831
  341   1HH2  ARG  40          HH21      ARG  40  -9.282 -12.816  -0.557
  342   2HH2  ARG  40          HH22      ARG  40  -8.752 -13.595  -2.011
  343    H    ALA  41           HN       ALA  41  -3.423  -8.153   2.466
  344    HA   ALA  41           HA       ALA  41  -1.518 -10.337   2.769
  345   1HB   ALA  41          HB1       ALA  41  -0.827  -8.343   3.819
  346   2HB   ALA  41          HB2       ALA  41  -1.345  -9.421   5.118
  347   3HB   ALA  41          HB3       ALA  41  -2.400  -8.107   4.584
  348    H    ASP  42           HN       ASP  42  -2.248 -12.302   3.220
  349    HA   ASP  42           HA       ASP  42  -4.885 -12.704   4.326
  350   1HB   ASP  42          HB2       ASP  42  -3.042 -14.238   2.788
  351   2HB   ASP  42          HB1       ASP  42  -3.381 -15.133   4.265
  352    H    ASP  43           HN       ASP  43  -1.555 -12.893   5.391
  353    HA   ASP  43           HA       ASP  43  -2.290 -14.021   7.969
  354   1HB   ASP  43          HB2       ASP  43   0.389 -13.087   6.923
  355   2HB   ASP  43          HB1       ASP  43   0.126 -13.922   8.450
  356    H    PHE  44           HN       PHE  44  -2.544 -12.890   9.816
  357    HA   PHE  44           HA       PHE  44  -3.013 -10.143   9.777
  358   1HB   PHE  44          HB1       PHE  44  -3.286 -10.264  12.127
  359   2HB   PHE  44          HB2       PHE  44  -3.799 -11.830  11.511
  360    HD1  PHE  44           HD1      PHE  44  -2.144 -13.758  11.628
  361    HD2  PHE  44           HD2      PHE  44  -1.636 -10.109  13.759
  362    HE1  PHE  44           HE1      PHE  44  -0.576 -14.875  13.161
  363    HE2  PHE  44           HE2      PHE  44  -0.068 -11.219  15.296
  364    HZ   PHE  44           HZ       PHE  44   0.463 -13.606  14.998
  365    H    GLU  45           HN       GLU  45  -0.111 -11.951  10.652
  366    HA   GLU  45           HA       GLU  45   1.390  -9.707  11.535
  367   1HB   GLU  45          HB2       GLU  45   1.740 -12.417  11.628
  368   2HB   GLU  45          HB1       GLU  45   2.896 -11.963  10.385
  369   1HG   GLU  45          HG2       GLU  45   3.941 -10.384  11.921
  370   2HG   GLU  45          HG1       GLU  45   2.774 -10.822  13.168
  371    H    GLU  46           HN       GLU  46   0.974 -11.316   8.436
  372    HA   GLU  46           HA       GLU  46   3.028  -9.935   7.062
  373   1HB   GLU  46          HB2       GLU  46   1.911 -12.079   6.332
  374   2HB   GLU  46          HB1       GLU  46   0.523 -11.111   5.852
  375   1HG   GLU  46          HG2       GLU  46   1.820  -9.946   4.215
  376   2HG   GLU  46          HG1       GLU  46   3.303 -10.717   4.775
  377    H    ALA  47           HN       ALA  47  -0.185  -9.079   7.976
  378    HA   ALA  47           HA       ALA  47  -0.815  -7.160   6.041
  379   1HB   ALA  47          HB1       ALA  47  -2.319  -6.205   7.751
  380   2HB   ALA  47          HB2       ALA  47  -1.576  -7.254   8.958
  381   3HB   ALA  47          HB3       ALA  47  -2.470  -7.956   7.609
  382    H    SER  48           HN       SER  48   0.592  -6.630   9.277
  383    HA   SER  48           HA       SER  48   1.113  -3.903   8.958
  384   1HB   SER  48          HB1       SER  48   1.232  -5.475  11.070
  385   2HB   SER  48          HB2       SER  48   2.934  -5.600  10.623
  386    HG   SER  48           HG       SER  48   1.468  -3.280  11.304
  387    H    GLU  49           HN       GLU  49   2.955  -6.728   8.005
  388    HA   GLU  49           HA       GLU  49   5.383  -5.363   7.443
  389   1HB   GLU  49          HB2       GLU  49   4.356  -8.055   7.235
  390   2HB   GLU  49          HB1       GLU  49   5.254  -7.628   5.785
  391   1HG   GLU  49          HG1       GLU  49   6.526  -6.929   8.349
  392   2HG   GLU  49          HG2       GLU  49   6.378  -8.650   7.992
  393    H    LEU  50           HN       LEU  50   2.561  -6.216   5.499
  394    HA   LEU  50           HA       LEU  50   3.633  -5.416   3.005
  395   1HB   LEU  50          HB1       LEU  50   1.174  -6.464   4.011
  396   2HB   LEU  50          HB2       LEU  50   0.810  -5.071   3.013
  397    HG   LEU  50           HG       LEU  50   2.403  -7.487   2.147
  398   1HD1  LEU  50          HD11      LEU  50   0.536  -8.343   1.208
  399   2HD1  LEU  50          HD12      LEU  50  -0.150  -6.757   0.859
  400   3HD1  LEU  50          HD13      LEU  50  -0.255  -7.425   2.488
  401   1HD2  LEU  50          HD21      LEU  50   2.576  -6.524   0.019
  402   2HD2  LEU  50          HD22      LEU  50   2.997  -5.226   1.137
  403   3HD2  LEU  50          HD23      LEU  50   1.397  -5.267   0.396
  404    H    VAL  51           HN       VAL  51   1.814  -3.758   5.507
  405    HA   VAL  51           HA       VAL  51   1.279  -1.374   4.133
  406    HB   VAL  51           HB       VAL  51   1.592  -1.956   7.072
  407   1HG1  VAL  51          HG21      VAL  51   1.694   0.226   7.467
  408   2HG1  VAL  51          HG22      VAL  51   0.079   0.373   6.775
  409   3HG1  VAL  51          HG23      VAL  51   1.501   0.599   5.755
  410   1HG2  VAL  51          HG11      VAL  51  -1.017  -1.229   6.530
  411   2HG2  VAL  51          HG12      VAL  51  -0.415  -2.872   6.752
  412   3HG2  VAL  51          HG13      VAL  51  -0.551  -2.195   5.129
  413    H    ARG  52           HN       ARG  52   4.000  -2.299   6.232
  414    HA   ARG  52           HA       ARG  52   5.304   0.192   6.207
  415   1HB   ARG  52          HB1       ARG  52   5.769  -1.845   7.700
  416   2HB   ARG  52          HB2       ARG  52   6.731  -2.459   6.363
  417   1HG   ARG  52          HG1       ARG  52   7.598   0.167   6.753
  418   2HG   ARG  52          HG2       ARG  52   7.414  -0.520   8.368
  419   1HD   ARG  52          HD2       ARG  52   8.877  -2.325   7.853
  420   2HD   ARG  52          HD1       ARG  52   8.893  -1.903   6.142
  421    HE   ARG  52           HE       ARG  52  10.066   0.184   6.864
  422   1HH1  ARG  52          HH12      ARG  52  10.194  -2.709   8.802
  423   2HH1  ARG  52          HH11      ARG  52  11.706  -2.302   9.541
  424   1HH2  ARG  52          HH21      ARG  52  12.058   0.728   7.833
  425   2HH2  ARG  52          HH22      ARG  52  12.766  -0.349   8.991
  426    H    LYS  53           HN       LYS  53   5.491  -2.591   4.047
  427    HA   LYS  53           HA       LYS  53   7.579  -1.548   2.411
  428   1HB   LYS  53          HB2       LYS  53   6.474  -3.981   2.600
  429   2HB   LYS  53          HB1       LYS  53   5.530  -3.370   1.248
  430   1HG   LYS  53          HG1       LYS  53   7.472  -3.051  -0.076
  431   2HG   LYS  53          HG2       LYS  53   8.536  -3.331   1.304
  432   1HD   LYS  53          HD1       LYS  53   7.202  -5.641   1.337
  433   2HD   LYS  53          HD2       LYS  53   7.054  -5.266  -0.382
  434   1HE   LYS  53          HE1       LYS  53   9.066  -6.217  -0.589
  435   2HE   LYS  53          HE2       LYS  53   9.692  -4.727   0.115
  436   1HZ   LYS  53          HZ1       LYS  53  10.311  -5.804   1.937
  437   2HZ   LYS  53          HZ2       LYS  53   9.977  -7.252   1.130
  438   3HZ   LYS  53          HZ3       LYS  53   8.801  -6.546   2.119
  439    H    LEU  54           HN       LEU  54   4.100  -1.281   2.513
  440    HA   LEU  54           HA       LEU  54   3.750  -0.030  -0.019
  441   1HB   LEU  54          HB1       LEU  54   2.117  -0.828   2.200
  442   2HB   LEU  54          HB2       LEU  54   1.726   0.824   1.768
  443    HG   LEU  54           HG       LEU  54   0.279  -0.832   0.647
  444   1HD1  LEU  54          HD11      LEU  54   0.156   0.953  -0.696
  445   2HD1  LEU  54          HD12      LEU  54   1.159  -0.002  -1.790
  446   3HD1  LEU  54          HD13      LEU  54   1.905   1.182  -0.716
  447   1HD2  LEU  54          HD21      LEU  54   1.882  -1.798  -1.409
  448   2HD2  LEU  54          HD22      LEU  54   1.192  -2.722  -0.074
  449   3HD2  LEU  54          HD23      LEU  54   2.821  -2.061   0.061
  450    H    GLN  55           HN       GLN  55   4.839   1.041   3.062
  451    HA   GLN  55           HA       GLN  55   4.184   3.786   2.854
  452   1HB   GLN  55          HB1       GLN  55   5.952   2.123   4.551
  453   2HB   GLN  55          HB2       GLN  55   6.367   3.828   4.438
  454   1HG   GLN  55          HG2       GLN  55   3.650   2.798   5.212
  455   2HG   GLN  55          HG1       GLN  55   4.909   3.250   6.361
  456   1HE2  GLN  55          HE22      GLN  55   5.695   5.473   6.254
  457   2HE2  GLN  55          HE21      GLN  55   4.589   6.726   5.817
  458    H    GLU  56           HN       GLU  56   6.536   5.167   3.253
  459    HA   GLU  56           HA       GLU  56   7.521   5.359   0.554
  460   1HB   GLU  56          HB1       GLU  56   7.301   7.093   2.775
  461   2HB   GLU  56          HB2       GLU  56   9.015   6.975   2.402
  462   1HG   GLU  56          HG1       GLU  56   8.170   8.812   1.184
  463   2HG   GLU  56          HG2       GLU  56   8.437   7.511   0.024
  464    H    GLU  57           HN       GLU  57   8.273   2.937   1.125
  465    HA   GLU  57           HA       GLU  57  10.825   2.765   2.431
  466   1HB   GLU  57          HB1       GLU  57   8.903   0.948   1.977
  467   2HB   GLU  57          HB2       GLU  57   9.931   0.610   0.592
  468   1HG   GLU  57          HG1       GLU  57  11.667   0.791   2.767
  469   2HG   GLU  57          HG2       GLU  57  10.273  -0.115   3.352
  470    H    LYS  58           HN       LYS  58  12.803   2.105   1.402
  471    HA   LYS  58           HA       LYS  58  13.282   3.542  -1.031
  472   1HB   LYS  58          HB1       LYS  58  15.185   1.766   0.502
  473   2HB   LYS  58          HB2       LYS  58  15.613   2.987  -0.687
  474   1HG   LYS  58          HG2       LYS  58  14.034   3.963   1.591
  475   2HG   LYS  58          HG1       LYS  58  15.651   3.374   1.983
  476   1HD   LYS  58          HD1       LYS  58  16.404   4.836  -0.019
  477   2HD   LYS  58          HD2       LYS  58  14.845   5.635   0.193
  478   1HE   LYS  58          HE1       LYS  58  16.118   5.334   2.737
  479   2HE   LYS  58          HE2       LYS  58  17.238   6.093   1.608
  480   1HZ   LYS  58          HZ1       LYS  58  14.713   7.093   2.672
  481   2HZ   LYS  58          HZ2       LYS  58  15.079   7.493   1.070
  482   3HZ   LYS  58          HZ3       LYS  58  16.142   7.924   2.314
  483    H    TYR  59           HN       TYR  59  13.488   2.762  -3.049
  484    HA   TYR  59           HA       TYR  59  12.907  -0.059  -3.477
  485   1HB   TYR  59          HB2       TYR  59  12.324   2.346  -4.867
  486   2HB   TYR  59          HB1       TYR  59  13.327   1.363  -5.929
  487    HD1  TYR  59           HD1      TYR  59  10.224   1.286  -3.887
  488    HD2  TYR  59           HD2      TYR  59  12.408  -0.449  -7.101
  489    HE1  TYR  59           HE1      TYR  59   8.256  -0.059  -4.492
  490    HE2  TYR  59           HE2      TYR  59  10.446  -1.799  -7.714
  491    HH   TYR  59           HH       TYR  59   7.371  -1.189  -6.592
  492    H    GLY  60           HN       GLY  60  15.078   2.107  -5.283
  493   1HA   GLY  60          HA2       GLY  60  17.553   1.464  -4.819
  494   2HA   GLY  60          HA1       GLY  60  17.015  -0.096  -5.423
  495    H    SER  61           HN       SER  61  15.188   1.133  -7.377
  496    HA   SER  61           HA       SER  61  17.174   1.616  -9.444
  497   1HB   SER  61          HB2       SER  61  15.203   0.036  -9.725
  498   2HB   SER  61          HB1       SER  61  14.176   1.467  -9.793
  499    HG   SER  61           HG       SER  61  15.250   2.126 -11.634
  500    H    CYS  62           HN       CYS  62  15.971   3.565  -7.259
  501    HA   CYS  62           HA       CYS  62  14.884   5.701  -8.824
  502   1HB   CYS  62          HB2       CYS  62  15.942   5.660  -5.990
  503   2HB   CYS  62          HB1       CYS  62  15.078   7.009  -6.721
  504    HG   CYS  62           HG       CYS  62  12.922   5.834  -6.412
  505    H    HIS  63           HN       HIS  63  16.066   7.976  -8.038
  506    HA   HIS  63           HA       HIS  63  18.316   8.159  -9.731
  507   1HB   HIS  63          HB2       HIS  63  16.837   9.984  -7.920
  508   2HB   HIS  63          HB1       HIS  63  18.496  10.439  -8.294
  509    HD2  HIS  63           HD2      HIS  63  18.870  10.242 -11.310
  510    HE1  HIS  63           HE1      HIS  63  14.989  11.868 -11.772
  511    HE2  HIS  63           HE2      HIS  63  17.195  11.389 -12.928
  512    H    PHE  64           HN       PHE  64  17.972   7.799  -6.255
  513    HA   PHE  64           HA       PHE  64  20.640   8.373  -5.550
  514   1HB   PHE  64          HB1       PHE  64  18.292   7.714  -4.197
  515   2HB   PHE  64          HB2       PHE  64  19.396   6.396  -3.821
  516    HD1  PHE  64           HD1      PHE  64  20.657   6.634  -1.930
  517    HD2  PHE  64           HD2      PHE  64  19.499  10.122  -4.076
  518    HE1  PHE  64           HE1      PHE  64  21.762   8.037  -0.237
  519    HE2  PHE  64           HE2      PHE  64  20.602  11.531  -2.387
  520    HZ   PHE  64           HZ       PHE  64  21.734  10.490  -0.465
  521    H    THR  65           HN       THR  65  22.405   7.305  -6.102
  522    HA   THR  65           HA       THR  65  22.209   4.481  -6.846
  523    HB   THR  65           HB       THR  65  23.284   6.057  -8.428
  524    HG1  THR  65           HG1      THR  65  24.070   4.090  -8.743
  525   1HG2  THR  65          HG21      THR  65  25.448   6.988  -8.010
  526   2HG2  THR  65          HG22      THR  65  25.477   6.297  -6.389
  527   3HG2  THR  65          HG23      THR  65  24.322   7.570  -6.784
  528    H    ASN  66           HN       ASN  66  24.450   3.309  -6.334
  529    HA   ASN  66           HA       ASN  66  24.586   3.229  -3.446
  530   1HB   ASN  66          HB2       ASN  66  25.611   1.509  -5.672
  531   2HB   ASN  66          HB1       ASN  66  26.316   1.349  -4.067
  532   1HD2  ASN  66          HD22      ASN  66  24.612   1.202  -2.284
  533   2HD2  ASN  66          HD21      ASN  66  23.295   0.129  -2.594
  534    HA   PRO  67           HA       PRO  67  28.131   5.780  -2.820
  535   1HB   PRO  67          HB1       PRO  67  29.036   3.687  -0.914
  536   2HB   PRO  67          HB2       PRO  67  28.794   5.418  -0.655
  537   1HG   PRO  67          HG2       PRO  67  27.053   3.640   0.301
  538   2HG   PRO  67          HG1       PRO  67  26.502   5.187  -0.370
  539   1HD   PRO  67          HD2       PRO  67  26.430   2.457  -1.585
  540   2HD   PRO  67          HD1       PRO  67  25.241   3.771  -1.690
  541    H    SER  68           HN       SER  68  28.750   2.281  -2.997
  542    HA   SER  68           HA       SER  68  31.450   2.685  -3.935
  543   1HB   SER  68          HB2       SER  68  31.198   0.095  -4.308
  544   2HB   SER  68          HB1       SER  68  31.311   0.740  -2.670
  545    HG   SER  68           HG       SER  68  29.203   0.374  -2.359
  546    H    LYS  69           HN       LYS  69  28.327   2.356  -5.319
  547    HA   LYS  69           HA       LYS  69  29.343   1.578  -7.932
  548   1HB   LYS  69          HB1       LYS  69  26.589   2.050  -6.814
  549   2HB   LYS  69          HB2       LYS  69  26.856   1.886  -8.544
  550   1HG   LYS  69          HG1       LYS  69  28.178  -0.289  -7.578
  551   2HG   LYS  69          HG2       LYS  69  26.835  -0.143  -6.441
  552   1HD   LYS  69          HD2       LYS  69  25.417   0.156  -8.620
  553   2HD   LYS  69          HD1       LYS  69  26.789  -0.651  -9.383
  554   1HE   LYS  69          HE2       LYS  69  25.229  -1.723  -7.036
  555   2HE   LYS  69          HE1       LYS  69  25.007  -2.220  -8.713
  556   1HZ   LYS  69          HZ1       LYS  69  26.635  -3.453  -7.000
  557   2HZ   LYS  69          HZ2       LYS  69  27.725  -2.380  -7.722
  558   3HZ   LYS  69          HZ3       LYS  69  26.853  -3.471  -8.677
  559    H    ARG  70           HN       ARG  70  30.663   3.702  -7.692
  560    HA   ARG  70           HA       ARG  70  29.205   6.117  -8.307
  561   1HB   ARG  70          HB1       ARG  70  31.991   5.398  -7.650
  562   2HB   ARG  70          HB2       ARG  70  31.813   6.756  -8.752
  563   1HG   ARG  70          HG2       ARG  70  29.968   7.087  -6.613
  564   2HG   ARG  70          HG1       ARG  70  31.557   6.724  -5.939
  565   1HD   ARG  70          HD1       ARG  70  32.553   8.551  -7.097
  566   2HD   ARG  70          HD2       ARG  70  31.095   8.817  -8.052
  567    HE   ARG  70           HE       ARG  70  31.627   9.798  -5.425
  568   1HH1  ARG  70          HH11      ARG  70  29.090   8.761  -7.577
  569   2HH1  ARG  70          HH12      ARG  70  27.866   9.706  -6.795
  570   1HH2  ARG  70          HH21      ARG  70  30.022  11.045  -4.392
  571   2HH2  ARG  70          HH22      ARG  70  28.396  11.004  -4.986
  572    H    GLU  71           HN       GLU  71  28.996   7.099 -10.252
  573    HA   GLU  71           HA       GLU  71  29.672   5.511 -12.596
  574   1HB   GLU  71          HB1       GLU  71  28.113   8.097 -12.445
  575   2HB   GLU  71          HB2       GLU  71  28.190   6.992 -13.811
  576   1HG   GLU  71          HG2       GLU  71  27.276   5.764 -11.316
  577   2HG   GLU  71          HG1       GLU  71  26.223   7.035 -11.940
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1  -9.318 -13.571   6.321
    2   2H    MET   1          HT2       MET   1  -9.653 -12.037   7.014
    3   3H    MET   1          HT3       MET   1  -8.426 -13.031   7.684
    4    HA   MET   1           HA       MET   1  -6.960 -12.588   6.081
    5   1HB   MET   1          HB2       MET   1  -7.646 -11.882   3.803
    6   2HB   MET   1          HB1       MET   1  -8.340 -13.428   4.272
    7   1HG   MET   1          HG1       MET   1 -10.099 -11.271   4.992
    8   2HG   MET   1          HG2       MET   1  -9.676 -11.191   3.282
    9   1HE   MET   1          HE1       MET   1 -12.575 -12.777   5.459
   10   2HE   MET   1          HE2       MET   1 -13.266 -12.759   3.835
   11   3HE   MET   1          HE3       MET   1 -12.357 -11.367   4.423
   12    H    TYR   2           HN       TYR   2  -6.226 -10.501   4.943
   13    HA   TYR   2           HA       TYR   2  -7.475  -8.138   6.152
   14   1HB   TYR   2          HB2       TYR   2  -4.584  -8.956   6.353
   15   2HB   TYR   2          HB1       TYR   2  -5.084  -7.280   6.538
   16    HD1  TYR   2           HD1      TYR   2  -7.479  -7.382   8.121
   17    HD2  TYR   2           HD2      TYR   2  -3.981  -9.788   8.422
   18    HE1  TYR   2           HE1      TYR   2  -7.965  -7.782  10.498
   19    HE2  TYR   2           HE2      TYR   2  -4.459 -10.194  10.800
   20    HH   TYR   2           HH       TYR   2  -5.719  -9.075  12.642
   21    H    ILE   3           HN       ILE   3  -6.807  -6.113   5.150
   22    HA   ILE   3           HA       ILE   3  -5.887  -6.424   2.372
   23    HB   ILE   3           HB       ILE   3  -7.483  -4.592   1.755
   24   1HG1  ILE   3          HG11      ILE   3  -9.074  -5.257   4.198
   25   2HG1  ILE   3          HG12      ILE   3  -7.773  -4.077   4.332
   26   1HG2  ILE   3          HG21      ILE   3  -7.859  -7.154   1.548
   27   2HG2  ILE   3          HG22      ILE   3  -9.202  -6.046   1.260
   28   3HG2  ILE   3          HG23      ILE   3  -9.072  -6.893   2.804
   29   1HD1  ILE   3          HD11      ILE   3 -10.051  -3.900   2.380
   30   2HD1  ILE   3          HD12      ILE   3  -8.800  -2.689   2.663
   31   3HD1  ILE   3          HD13      ILE   3  -9.972  -3.059   3.928
   32    H    ILE   4           HN       ILE   4  -4.993  -4.439   1.439
   33    HA   ILE   4           HA       ILE   4  -4.050  -2.536   3.482
   34    HB   ILE   4           HB       ILE   4  -2.491  -3.952   1.354
   35   1HG1  ILE   4          HG11      ILE   4  -0.825  -3.630   3.433
   36   2HG1  ILE   4          HG12      ILE   4  -2.357  -3.491   4.289
   37   1HG2  ILE   4          HG21      ILE   4  -1.496  -2.080   0.683
   38   2HG2  ILE   4          HG22      ILE   4  -0.769  -2.002   2.291
   39   3HG2  ILE   4          HG23      ILE   4  -2.264  -1.125   1.953
   40   1HD1  ILE   4          HD11      ILE   4  -1.596  -5.758   4.372
   41   2HD1  ILE   4          HD12      ILE   4  -1.436  -5.810   2.616
   42   3HD1  ILE   4          HD13      ILE   4  -3.033  -5.668   3.352
   43    H    PHE   5           HN       PHE   5  -3.801  -0.370   2.798
   44    HA   PHE   5           HA       PHE   5  -4.805   0.320   0.138
   45   1HB   PHE   5          HB1       PHE   5  -6.096   2.184   1.683
   46   2HB   PHE   5          HB2       PHE   5  -6.840   0.751   0.989
   47    HD1  PHE   5           HD1      PHE   5  -5.804   2.410   4.016
   48    HD2  PHE   5           HD2      PHE   5  -7.179  -1.268   2.378
   49    HE1  PHE   5           HE1      PHE   5  -6.409   1.637   6.268
   50    HE2  PHE   5           HE2      PHE   5  -7.785  -2.047   4.631
   51    HZ   PHE   5           HZ       PHE   5  -7.397  -0.589   6.577
   52    H    ARG   6           HN       ARG   6  -5.033   3.075   0.484
   53    HA   ARG   6           HA       ARG   6  -2.480   3.950   1.611
   54   1HB   ARG   6          HB2       ARG   6  -3.262   4.115  -1.285
   55   2HB   ARG   6          HB1       ARG   6  -2.155   5.289  -0.586
   56   1HG   ARG   6          HG2       ARG   6  -1.023   2.984   0.252
   57   2HG   ARG   6          HG1       ARG   6  -1.730   2.468  -1.282
   58   1HD   ARG   6          HD1       ARG   6  -0.355   5.046  -1.412
   59   2HD   ARG   6          HD2       ARG   6   0.697   3.697  -0.986
   60    HE   ARG   6           HE       ARG   6   0.182   2.683  -3.066
   61   1HH1  ARG   6          HH22      ARG   6  -1.187   5.864  -2.686
   62   2HH1  ARG   6          HH21      ARG   6  -1.452   6.092  -4.382
   63   1HH2  ARG   6          HH12      ARG   6  -0.165   2.975  -5.300
   64   2HH2  ARG   6          HH11      ARG   6  -0.873   4.451  -5.868
   65    H    CYS   7           HN       CYS   7  -2.798   5.718   2.783
   66    HA   CYS   7           HA       CYS   7  -5.209   7.260   2.520
   67   1HB   CYS   7          HB2       CYS   7  -4.044   6.738   4.719
   68   2HB   CYS   7          HB1       CYS   7  -2.831   7.923   4.248
   69    HG   CYS   7           HG       CYS   7  -5.371   8.594   5.578
   70    H    ASP   8           HN       ASP   8  -5.219   9.584   2.190
   71    HA   ASP   8           HA       ASP   8  -3.913  10.348  -0.126
   72   1HB   ASP   8          HB1       ASP   8  -5.050  12.210   1.973
   73   2HB   ASP   8          HB2       ASP   8  -4.801  12.579   0.268
   74    H    CYS   9           HN       CYS   9  -2.747  10.389   3.087
   75    HA   CYS   9           HA       CYS   9  -0.761  12.432   2.740
   76   1HB   CYS   9          HB2       CYS   9  -0.767  10.160   4.737
   77   2HB   CYS   9          HB1       CYS   9   0.128  11.672   4.855
   78    HG   CYS   9           HG       CYS   9  -2.522  11.284   6.003
   79    H    GLY  10           HN       GLY  10  -1.157   9.667   1.168
   80   1HA   GLY  10          HA2       GLY  10   0.275   8.548  -0.268
   81   2HA   GLY  10          HA1       GLY  10   1.616   9.459   0.412
   82    H    ARG  11           HN       ARG  11  -0.234   8.126   2.854
   83    HA   ARG  11           HA       ARG  11   1.856   6.160   3.386
   84   1HB   ARG  11          HB2       ARG  11   1.017   6.022   5.608
   85   2HB   ARG  11          HB1       ARG  11   1.052   7.722   5.171
   86   1HG   ARG  11          HG1       ARG  11  -1.349   7.656   4.731
   87   2HG   ARG  11          HG2       ARG  11  -1.381   5.954   5.193
   88   1HD   ARG  11          HD2       ARG  11  -0.935   8.371   6.898
   89   2HD   ARG  11          HD1       ARG  11  -2.060   7.034   7.132
   90    HE   ARG  11           HE       ARG  11   0.115   5.699   7.494
   91   1HH1  ARG  11          HH12      ARG  11  -0.401   9.018   8.430
   92   2HH1  ARG  11          HH11      ARG  11   0.712   8.952   9.754
   93   1HH2  ARG  11          HH22      ARG  11   1.581   5.606   9.237
   94   2HH2  ARG  11          HH21      ARG  11   1.838   7.013  10.213
   95    H    ALA  12           HN       ALA  12   0.381   4.331   4.917
   96    HA   ALA  12           HA       ALA  12  -1.705   3.208   3.258
   97   1HB   ALA  12          HB1       ALA  12   0.927   2.469   2.720
   98   2HB   ALA  12          HB2       ALA  12  -0.540   1.658   2.172
   99   3HB   ALA  12          HB3       ALA  12   0.256   1.133   3.656
  100    H    LEU  13           HN       LEU  13  -2.772   1.382   4.267
  101    HA   LEU  13           HA       LEU  13  -1.977   0.770   7.007
  102   1HB   LEU  13          HB1       LEU  13  -4.504   2.174   6.242
  103   2HB   LEU  13          HB2       LEU  13  -4.497   1.089   7.619
  104    HG   LEU  13           HG       LEU  13  -2.403   3.208   7.499
  105   1HD1  LEU  13          HD21      LEU  13  -4.445   4.387   8.919
  106   2HD1  LEU  13          HD22      LEU  13  -5.264   3.727   7.501
  107   3HD1  LEU  13          HD23      LEU  13  -3.910   4.839   7.300
  108   1HD2  LEU  13          HD11      LEU  13  -3.874   2.739   9.965
  109   2HD2  LEU  13          HD12      LEU  13  -2.139   2.696   9.653
  110   3HD2  LEU  13          HD13      LEU  13  -3.131   1.278   9.315
  111    H    TYR  14           HN       TYR  14  -3.920  -0.753   7.926
  112    HA   TYR  14           HA       TYR  14  -4.651  -2.677   5.827
  113   1HB   TYR  14          HB2       TYR  14  -3.838  -4.547   7.124
  114   2HB   TYR  14          HB1       TYR  14  -2.520  -3.409   6.875
  115    HD1  TYR  14           HD1      TYR  14  -1.874  -1.870   8.775
  116    HD2  TYR  14           HD2      TYR  14  -4.507  -5.172   9.292
  117    HE1  TYR  14           HE1      TYR  14  -1.469  -1.806  11.199
  118    HE2  TYR  14           HE2      TYR  14  -4.109  -5.118  11.717
  119    HH   TYR  14           HH       TYR  14  -1.706  -3.857  13.160
  120    H    SER  15           HN       SER  15  -6.525  -3.832   6.204
  121    HA   SER  15           HA       SER  15  -7.863  -3.734   8.758
  122   1HB   SER  15          HB1       SER  15  -8.447  -1.544   7.623
  123   2HB   SER  15          HB2       SER  15  -9.278  -2.493   6.391
  124    HG   SER  15           HG       SER  15 -10.071  -1.842   8.913
  125    H    ARG  16           HN       ARG  16 -10.367  -4.533   8.099
  126    HA   ARG  16           HA       ARG  16  -9.904  -7.209   7.170
  127   1HB   ARG  16          HB1       ARG  16 -12.108  -7.689   7.833
  128   2HB   ARG  16          HB2       ARG  16 -11.515  -6.529   9.014
  129   1HG   ARG  16          HG1       ARG  16 -13.089  -5.042   8.497
  130   2HG   ARG  16          HG2       ARG  16 -12.846  -5.261   6.762
  131   1HD   ARG  16          HD1       ARG  16 -15.017  -6.011   7.069
  132   2HD   ARG  16          HD2       ARG  16 -14.078  -7.502   7.107
  133    HE   ARG  16           HE       ARG  16 -15.209  -6.141   9.460
  134   1HH1  ARG  16          HH21      ARG  16 -13.906  -8.976   7.906
  135   2HH1  ARG  16          HH22      ARG  16 -14.283 -10.030   9.227
  136   1HH2  ARG  16          HH11      ARG  16 -15.708  -7.524  11.203
  137   2HH2  ARG  16          HH12      ARG  16 -15.307  -9.206  11.101
  138    H    GLU  17           HN       GLU  17 -10.767  -8.214   5.354
  139    HA   GLU  17           HA       GLU  17 -10.726  -6.792   2.967
  140   1HB   GLU  17          HB1       GLU  17 -10.512  -9.320   3.365
  141   2HB   GLU  17          HB2       GLU  17 -12.270  -9.353   3.321
  142   1HG   GLU  17          HG1       GLU  17 -11.634  -7.941   1.057
  143   2HG   GLU  17          HG2       GLU  17 -10.346  -9.141   1.151
  144    H    GLY  18           HN       GLY  18 -12.066  -5.168   2.471
  145   1HA   GLY  18          HA2       GLY  18 -14.480  -5.180   1.493
  146   2HA   GLY  18          HA1       GLY  18 -14.905  -5.404   3.183
  147    H    ALA  19           HN       ALA  19 -12.270  -3.573   3.427
  148    HA   ALA  19           HA       ALA  19 -13.776  -1.189   3.934
  149   1HB   ALA  19          HB1       ALA  19 -11.550  -0.220   4.515
  150   2HB   ALA  19          HB2       ALA  19 -10.827  -1.765   4.068
  151   3HB   ALA  19          HB3       ALA  19 -11.971  -1.683   5.407
  152    H    LYS  20           HN       LYS  20 -14.432   0.106   2.360
  153    HA   LYS  20           HA       LYS  20 -12.937   0.279  -0.131
  154   1HB   LYS  20          HB2       LYS  20 -15.600   1.403   0.744
  155   2HB   LYS  20          HB1       LYS  20 -14.876   1.755  -0.819
  156   1HG   LYS  20          HG2       LYS  20 -15.939  -0.035  -1.581
  157   2HG   LYS  20          HG1       LYS  20 -14.786  -1.003  -0.658
  158   1HD   LYS  20          HD1       LYS  20 -16.385  -0.695   1.315
  159   2HD   LYS  20          HD2       LYS  20 -17.560  -0.146   0.118
  160   1HE   LYS  20          HE1       LYS  20 -17.430  -2.248  -1.047
  161   2HE   LYS  20          HE2       LYS  20 -16.123  -2.793   0.003
  162   1HZ   LYS  20          HZ1       LYS  20 -17.588  -3.519   1.476
  163   2HZ   LYS  20          HZ2       LYS  20 -18.829  -3.170   0.381
  164   3HZ   LYS  20          HZ3       LYS  20 -18.376  -2.023   1.538
  165    H    THR  21           HN       THR  21 -13.979   2.378   2.524
  166    HA   THR  21           HA       THR  21 -11.773   4.180   1.903
  167    HB   THR  21           HB       THR  21 -13.635   6.043   2.486
  168    HG1  THR  21           HG1      THR  21 -15.560   5.539   1.563
  169   1HG2  THR  21          HG21      THR  21 -13.382   5.031  -0.323
  170   2HG2  THR  21          HG22      THR  21 -12.102   5.930   0.489
  171   3HG2  THR  21          HG23      THR  21 -13.676   6.679   0.231
  172    H    ARG  22           HN       ARG  22 -10.650   4.200   3.727
  173    HA   ARG  22           HA       ARG  22 -11.980   3.928   6.297
  174   1HB   ARG  22          HB1       ARG  22  -9.447   3.219   5.279
  175   2HB   ARG  22          HB2       ARG  22  -9.154   4.451   6.500
  176   1HG   ARG  22          HG2       ARG  22 -10.908   2.886   7.814
  177   2HG   ARG  22          HG1       ARG  22 -10.114   1.687   6.789
  178   1HD   ARG  22          HD2       ARG  22  -8.088   1.955   7.805
  179   2HD   ARG  22          HD1       ARG  22  -8.399   3.641   8.223
  180    HE   ARG  22           HE       ARG  22  -9.924   1.592   9.633
  181   1HH1  ARG  22          HH22      ARG  22  -7.324   3.912   9.647
  182   2HH1  ARG  22          HH21      ARG  22  -7.191   3.944  11.373
  183   1HH2  ARG  22          HH12      ARG  22  -9.755   1.627  11.905
  184   2HH2  ARG  22          HH11      ARG  22  -8.573   2.645  12.657
  185    H    LYS  23           HN       LYS  23 -10.538   5.408   8.020
  186    HA   LYS  23           HA       LYS  23 -10.371   8.141   7.061
  187   1HB   LYS  23          HB1       LYS  23 -12.799   7.616   7.715
  188   2HB   LYS  23          HB2       LYS  23 -12.213   7.546   9.371
  189   1HG   LYS  23          HG1       LYS  23 -11.714   9.810   9.426
  190   2HG   LYS  23          HG2       LYS  23 -11.671   9.941   7.666
  191   1HD   LYS  23          HD2       LYS  23 -13.760  10.709   7.780
  192   2HD   LYS  23          HD1       LYS  23 -14.245   9.070   8.222
  193   1HE   LYS  23          HE1       LYS  23 -13.797   9.679  10.610
  194   2HE   LYS  23          HE2       LYS  23 -13.562  11.343  10.076
  195   1HZ   LYS  23          HZ1       LYS  23 -15.764  11.338  10.669
  196   2HZ   LYS  23          HZ2       LYS  23 -16.032   9.752  10.146
  197   3HZ   LYS  23          HZ3       LYS  23 -15.886  11.002   9.016
  198    H    CYS  24           HN       CYS  24  -9.011   9.383   8.242
  199    HA   CYS  24           HA       CYS  24  -7.617   8.052  10.442
  200   1HB   CYS  24          HB2       CYS  24  -6.697   9.513   8.254
  201   2HB   CYS  24          HB1       CYS  24  -6.517  10.617   9.616
  202    HG   CYS  24           HG       CYS  24  -5.089   8.623  10.759
  203    H    VAL  25           HN       VAL  25  -7.971   8.626  12.470
  204    HA   VAL  25           HA       VAL  25  -9.852  10.632  13.157
  205    HB   VAL  25           HB       VAL  25  -7.951   9.574  15.198
  206   1HG1  VAL  25          HG11      VAL  25  -9.575  10.869  16.195
  207   2HG1  VAL  25          HG12      VAL  25 -10.290   9.262  16.315
  208   3HG1  VAL  25          HG13      VAL  25 -10.823  10.372  15.053
  209   1HG2  VAL  25          HG21      VAL  25  -8.280   7.447  14.649
  210   2HG2  VAL  25          HG22      VAL  25  -9.366   7.908  13.337
  211   3HG2  VAL  25          HG23      VAL  25 -10.000   7.672  14.966
  212    H    CYS  26           HN       CYS  26  -6.507  10.715  12.548
  213    HA   CYS  26           HA       CYS  26  -5.777  12.896  14.217
  214   1HB   CYS  26          HB2       CYS  26  -4.258  11.198  12.980
  215   2HB   CYS  26          HB1       CYS  26  -4.436  12.274  11.598
  216    HG   CYS  26           HG       CYS  26  -3.501  13.980  13.789
  217    H    GLY  27           HN       GLY  27  -7.077  12.634  10.957
  218   1HA   GLY  27          HA1       GLY  27  -8.547  14.745  10.605
  219   2HA   GLY  27          HA2       GLY  27  -6.990  15.557  10.675
  220    H    ARG  28           HN       ARG  28  -8.290  12.651   9.057
  221    HA   ARG  28           HA       ARG  28  -8.024  13.725   6.447
  222   1HB   ARG  28          HB1       ARG  28  -6.230  11.673   6.050
  223   2HB   ARG  28          HB2       ARG  28  -5.832  13.385   6.097
  224   1HG   ARG  28          HG1       ARG  28  -5.901  12.381   8.765
  225   2HG   ARG  28          HG2       ARG  28  -4.900  11.320   7.771
  226   1HD   ARG  28          HD2       ARG  28  -3.624  13.262   6.993
  227   2HD   ARG  28          HD1       ARG  28  -4.615  14.313   8.004
  228    HE   ARG  28           HE       ARG  28  -3.390  12.238   9.522
  229   1HH1  ARG  28          HH11      ARG  28  -2.790  15.327   8.023
  230   2HH1  ARG  28          HH12      ARG  28  -1.506  15.748   9.107
  231   1HH2  ARG  28          HH21      ARG  28  -1.701  12.786  10.953
  232   2HH2  ARG  28          HH22      ARG  28  -0.887  14.303  10.771
  233    H    THR  29           HN       THR  29  -7.780  11.584   4.872
  234    HA   THR  29           HA       THR  29  -9.546   9.490   5.905
  235    HB   THR  29           HB       THR  29 -10.039  10.971   3.312
  236    HG1  THR  29           HG1      THR  29 -11.431  11.031   5.780
  237   1HG2  THR  29          HG21      THR  29 -12.280   9.487   4.245
  238   2HG2  THR  29          HG22      THR  29 -10.887   8.414   4.104
  239   3HG2  THR  29          HG23      THR  29 -11.417   9.361   2.712
  240    H    VAL  30           HN       VAL  30  -9.060   7.487   5.160
  241    HA   VAL  30           HA       VAL  30  -6.783   7.286   3.337
  242    HB   VAL  30           HB       VAL  30  -8.005   5.036   4.922
  243   1HG1  VAL  30          HG21      VAL  30  -6.528   3.843   3.760
  244   2HG1  VAL  30          HG22      VAL  30  -5.256   4.704   4.627
  245   3HG1  VAL  30          HG23      VAL  30  -5.813   5.295   3.061
  246   1HG2  VAL  30          HG11      VAL  30  -6.297   7.271   5.784
  247   2HG2  VAL  30          HG12      VAL  30  -5.769   5.667   6.292
  248   3HG2  VAL  30          HG13      VAL  30  -7.379   6.242   6.721
  249    H    ASN  31           HN       ASN  31  -7.163   6.948   1.274
  250    HA   ASN  31           HA       ASN  31  -9.659   5.645   0.452
  251   1HB   ASN  31          HB2       ASN  31  -8.751   7.919  -0.488
  252   2HB   ASN  31          HB1       ASN  31  -7.729   6.882  -1.479
  253   1HD2  ASN  31          HD22      ASN  31 -10.780   8.274  -1.106
  254   2HD2  ASN  31          HD21      ASN  31 -11.579   7.469  -2.409
  255    H    VAL  32           HN       VAL  32  -9.577   3.515   0.084
  256    HA   VAL  32           HA       VAL  32  -7.144   2.094  -0.222
  257    HB   VAL  32           HB       VAL  32  -8.372   0.133  -0.383
  258   1HG1  VAL  32          HG11      VAL  32  -9.014   0.483   1.716
  259   2HG1  VAL  32          HG12      VAL  32 -10.584   0.955   1.065
  260   3HG1  VAL  32          HG13      VAL  32  -9.362   2.183   1.402
  261   1HG2  VAL  32          HG21      VAL  32  -9.723   0.798  -2.349
  262   2HG2  VAL  32          HG22      VAL  32 -10.811   1.665  -1.265
  263   3HG2  VAL  32          HG23      VAL  32 -10.641  -0.088  -1.130
  264    H    LYS  33           HN       LYS  33  -7.445   0.319  -2.271
  265    HA   LYS  33           HA       LYS  33  -6.386   1.694  -4.451
  266   1HB   LYS  33          HB2       LYS  33  -6.942  -1.003  -3.766
  267   2HB   LYS  33          HB1       LYS  33  -7.624  -0.721  -5.361
  268   1HG   LYS  33          HG1       LYS  33  -5.059   0.453  -5.341
  269   2HG   LYS  33          HG2       LYS  33  -4.910  -1.152  -4.622
  270   1HD   LYS  33          HD1       LYS  33  -5.807  -2.202  -6.541
  271   2HD   LYS  33          HD2       LYS  33  -6.369  -0.667  -7.208
  272   1HE   LYS  33          HE2       LYS  33  -4.396  -0.247  -8.161
  273   2HE   LYS  33          HE1       LYS  33  -3.510  -0.673  -6.697
  274   1HZ   LYS  33          HZ1       LYS  33  -2.922  -2.143  -8.502
  275   2HZ   LYS  33          HZ2       LYS  33  -4.541  -2.579  -8.728
  276   3HZ   LYS  33          HZ3       LYS  33  -3.739  -3.014  -7.303
  277    H    ASP  34           HN       ASP  34  -7.483   1.132  -6.768
  278    HA   ASP  34           HA       ASP  34  -9.929   2.708  -6.760
  279   1HB   ASP  34          HB2       ASP  34  -7.744   2.289  -8.594
  280   2HB   ASP  34          HB1       ASP  34  -9.275   1.965  -9.403
  281    H    ARG  35           HN       ARG  35  -8.790  -0.459  -7.870
  282    HA   ARG  35           HA       ARG  35 -11.479  -1.270  -8.594
  283   1HB   ARG  35          HB2       ARG  35  -8.892  -2.836  -8.568
  284   2HB   ARG  35          HB1       ARG  35 -10.421  -3.410  -9.219
  285   1HG   ARG  35          HG1       ARG  35 -10.315  -1.349 -10.743
  286   2HG   ARG  35          HG2       ARG  35  -8.617  -1.265 -10.272
  287   1HD   ARG  35          HD1       ARG  35  -8.835  -2.498 -12.340
  288   2HD   ARG  35          HD2       ARG  35  -8.309  -3.579 -11.050
  289    HE   ARG  35           HE       ARG  35 -10.682  -4.314 -10.932
  290   1HH1  ARG  35          HH22      ARG  35  -9.438  -2.860 -13.845
  291   2HH1  ARG  35          HH21      ARG  35 -10.594  -3.635 -14.876
  292   1HH2  ARG  35          HH11      ARG  35 -12.206  -5.337 -12.282
  293   2HH2  ARG  35          HH12      ARG  35 -12.167  -5.043 -13.989
  294    H    ARG  36           HN       ARG  36  -9.665  -3.793  -7.203
  295    HA   ARG  36           HA       ARG  36 -11.612  -4.159  -5.126
  296   1HB   ARG  36          HB2       ARG  36  -9.045  -5.666  -5.663
  297   2HB   ARG  36          HB1       ARG  36 -10.323  -6.172  -4.567
  298   1HG   ARG  36          HG1       ARG  36 -11.285  -5.641  -7.258
  299   2HG   ARG  36          HG2       ARG  36 -10.061  -6.911  -7.192
  300   1HD   ARG  36          HD1       ARG  36 -11.471  -8.350  -6.238
  301   2HD   ARG  36          HD2       ARG  36 -12.008  -7.157  -5.057
  302    HE   ARG  36           HE       ARG  36 -13.109  -7.355  -7.785
  303   1HH1  ARG  36          HH11      ARG  36 -13.470  -6.807  -4.363
  304   2HH1  ARG  36          HH12      ARG  36 -15.173  -6.515  -4.459
  305   1HH2  ARG  36          HH21      ARG  36 -15.353  -6.973  -7.921
  306   2HH2  ARG  36          HH22      ARG  36 -16.244  -6.609  -6.481
  307    H    ILE  37           HN       ILE  37  -8.247  -4.749  -4.440
  308    HA   ILE  37           HA       ILE  37  -7.979  -2.466  -2.675
  309    HB   ILE  37           HB       ILE  37  -8.845  -5.050  -1.689
  310   1HG1  ILE  37          HG12      ILE  37  -9.709  -2.699  -1.194
  311   2HG1  ILE  37          HG11      ILE  37  -9.546  -3.788   0.180
  312   1HG2  ILE  37          HG21      ILE  37  -6.385  -5.333  -1.359
  313   2HG2  ILE  37          HG22      ILE  37  -7.335  -5.382   0.124
  314   3HG2  ILE  37          HG23      ILE  37  -6.425  -3.929  -0.290
  315   1HD1  ILE  37          HD11      ILE  37  -7.805  -1.469  -0.574
  316   2HD1  ILE  37          HD12      ILE  37  -7.299  -2.694   0.590
  317   3HD1  ILE  37          HD13      ILE  37  -8.734  -1.718   0.905
  318    H    PHE  38           HN       PHE  38  -5.835  -2.253  -1.806
  319    HA   PHE  38           HA       PHE  38  -3.832  -3.516  -3.510
  320   1HB   PHE  38          HB1       PHE  38  -4.018  -0.963  -2.896
  321   2HB   PHE  38          HB2       PHE  38  -3.170  -1.460  -1.435
  322    HD1  PHE  38           HD1      PHE  38  -0.919  -2.472  -1.601
  323    HD2  PHE  38           HD2      PHE  38  -2.898  -0.792  -4.973
  324    HE1  PHE  38           HE1      PHE  38   1.225  -2.368  -2.802
  325    HE2  PHE  38           HE2      PHE  38  -0.756  -0.685  -6.182
  326    HZ   PHE  38           HZ       PHE  38   1.308  -1.474  -5.095
  327    H    GLY  39           HN       GLY  39  -2.020  -4.602  -2.667
  328   1HA   GLY  39          HA1       GLY  39  -1.096  -6.243  -1.343
  329   2HA   GLY  39          HA2       GLY  39  -1.267  -5.031  -0.084
  330    H    ARG  40           HN       ARG  40  -2.595  -7.928  -1.485
  331    HA   ARG  40           HA       ARG  40  -4.733  -8.027   0.494
  332   1HB   ARG  40          HB1       ARG  40  -4.524  -8.992  -2.099
  333   2HB   ARG  40          HB2       ARG  40  -4.356 -10.433  -1.105
  334   1HG   ARG  40          HG1       ARG  40  -6.557  -8.529  -0.502
  335   2HG   ARG  40          HG2       ARG  40  -6.710  -9.605  -1.894
  336   1HD   ARG  40          HD1       ARG  40  -5.831 -10.809   0.667
  337   2HD   ARG  40          HD2       ARG  40  -7.512 -10.289   0.557
  338    HE   ARG  40           HE       ARG  40  -6.465 -12.006  -1.561
  339   1HH1  ARG  40          HH21      ARG  40  -8.449 -11.634   1.281
  340   2HH1  ARG  40          HH22      ARG  40  -9.333 -13.099   1.013
  341   1HH2  ARG  40          HH12      ARG  40  -7.625 -13.937  -1.920
  342   2HH2  ARG  40          HH11      ARG  40  -8.865 -14.408  -0.807
  343    H    ALA  41           HN       ALA  41  -3.613  -8.246   2.391
  344    HA   ALA  41           HA       ALA  41  -1.737 -10.459   2.676
  345   1HB   ALA  41          HB1       ALA  41  -1.361  -9.456   4.948
  346   2HB   ALA  41          HB2       ALA  41  -2.455  -8.152   4.471
  347   3HB   ALA  41          HB3       ALA  41  -0.954  -8.414   3.581
  348    H    ASP  42           HN       ASP  42  -2.624 -12.376   3.089
  349    HA   ASP  42           HA       ASP  42  -5.099 -12.613   4.566
  350   1HB   ASP  42          HB2       ASP  42  -3.688 -14.210   2.704
  351   2HB   ASP  42          HB1       ASP  42  -3.756 -15.131   4.204
  352    H    ASP  43           HN       ASP  43  -1.682 -12.938   5.115
  353    HA   ASP  43           HA       ASP  43  -2.044 -14.159   7.733
  354   1HB   ASP  43          HB1       ASP  43   0.549 -13.160   6.564
  355   2HB   ASP  43          HB2       ASP  43   0.318 -14.381   7.810
  356    H    PHE  44           HN       PHE  44  -2.106 -13.063   9.597
  357    HA   PHE  44           HA       PHE  44  -2.438 -10.305   9.715
  358   1HB   PHE  44          HB2       PHE  44  -1.779 -10.698  12.227
  359   2HB   PHE  44          HB1       PHE  44  -3.269 -11.379  11.585
  360    HD1  PHE  44           HD1      PHE  44   0.246 -12.183  12.415
  361    HD2  PHE  44           HD2      PHE  44  -3.653 -13.686  11.607
  362    HE1  PHE  44           HE1      PHE  44   0.968 -14.426  13.123
  363    HE2  PHE  44           HE2      PHE  44  -2.938 -15.932  12.313
  364    HZ   PHE  44           HZ       PHE  44  -0.625 -16.304  13.073
  365    H    GLU  45           HN       GLU  45   0.467 -12.258  10.074
  366    HA   GLU  45           HA       GLU  45   2.167 -10.163  10.947
  367   1HB   GLU  45          HB1       GLU  45   2.430 -12.851  10.784
  368   2HB   GLU  45          HB2       GLU  45   3.354 -12.367   9.369
  369   1HG   GLU  45          HG2       GLU  45   3.904 -10.949  11.909
  370   2HG   GLU  45          HG1       GLU  45   4.446 -12.620  11.769
  371    H    GLU  46           HN       GLU  46   1.401 -11.502   7.764
  372    HA   GLU  46           HA       GLU  46   3.266  -9.926   6.326
  373   1HB   GLU  46          HB2       GLU  46   2.166 -12.042   5.510
  374   2HB   GLU  46          HB1       GLU  46   0.695 -11.108   5.268
  375   1HG   GLU  46          HG2       GLU  46   1.616  -9.873   3.529
  376   2HG   GLU  46          HG1       GLU  46   3.269 -10.272   3.994
  377    H    ALA  47           HN       ALA  47   0.162  -9.274   7.653
  378    HA   ALA  47           HA       ALA  47  -0.740  -7.230   5.960
  379   1HB   ALA  47          HB1       ALA  47  -2.419  -7.742   7.369
  380   2HB   ALA  47          HB2       ALA  47  -1.723  -6.452   8.350
  381   3HB   ALA  47          HB3       ALA  47  -1.327  -8.134   8.698
  382    H    SER  48           HN       SER  48   0.882  -6.861   9.119
  383    HA   SER  48           HA       SER  48   1.295  -4.107   8.926
  384   1HB   SER  48          HB2       SER  48   2.960  -6.129  10.446
  385   2HB   SER  48          HB1       SER  48   2.914  -4.392  10.745
  386    HG   SER  48           HG       SER  48   0.765  -6.223  11.025
  387    H    GLU  49           HN       GLU  49   3.249  -6.803   7.786
  388    HA   GLU  49           HA       GLU  49   5.557  -5.286   7.175
  389   1HB   GLU  49          HB1       GLU  49   6.443  -7.256   6.497
  390   2HB   GLU  49          HB2       GLU  49   5.063  -7.917   7.349
  391   1HG   GLU  49          HG1       GLU  49   3.966  -8.485   5.415
  392   2HG   GLU  49          HG2       GLU  49   4.814  -7.277   4.450
  393    H    LEU  50           HN       LEU  50   2.696  -6.182   5.342
  394    HA   LEU  50           HA       LEU  50   3.588  -5.244   2.827
  395   1HB   LEU  50          HB1       LEU  50   1.209  -6.391   3.945
  396   2HB   LEU  50          HB2       LEU  50   0.770  -4.999   2.976
  397    HG   LEU  50           HG       LEU  50   2.399  -7.355   2.013
  398   1HD1  LEU  50          HD11      LEU  50   0.502  -8.368   1.467
  399   2HD1  LEU  50          HD12      LEU  50  -0.111  -6.914   0.678
  400   3HD1  LEU  50          HD13      LEU  50  -0.357  -7.149   2.409
  401   1HD2  LEU  50          HD21      LEU  50   1.178  -5.486   0.102
  402   2HD2  LEU  50          HD22      LEU  50   2.747  -6.290   0.065
  403   3HD2  LEU  50          HD23      LEU  50   2.522  -4.839   1.041
  404    H    VAL  51           HN       VAL  51   1.728  -3.757   5.434
  405    HA   VAL  51           HA       VAL  51   1.143  -1.329   4.155
  406    HB   VAL  51           HB       VAL  51   1.495  -1.900   7.100
  407   1HG1  VAL  51          HG21      VAL  51   1.585   0.546   6.257
  408   2HG1  VAL  51          HG22      VAL  51   0.524   0.141   7.606
  409   3HG1  VAL  51          HG23      VAL  51  -0.146   0.339   5.987
  410   1HG2  VAL  51          HG11      VAL  51  -0.983  -1.843   5.381
  411   2HG2  VAL  51          HG12      VAL  51  -0.947  -2.081   7.128
  412   3HG2  VAL  51          HG13      VAL  51  -0.220  -3.282   6.060
  413    H    ARG  52           HN       ARG  52   3.789  -2.185   6.392
  414    HA   ARG  52           HA       ARG  52   5.040   0.348   6.326
  415   1HB   ARG  52          HB1       ARG  52   5.716  -2.358   7.293
  416   2HB   ARG  52          HB2       ARG  52   7.100  -1.363   6.863
  417   1HG   ARG  52          HG2       ARG  52   6.008   0.435   8.336
  418   2HG   ARG  52          HG1       ARG  52   5.028  -0.889   8.969
  419   1HD   ARG  52          HD1       ARG  52   7.884  -1.494   8.841
  420   2HD   ARG  52          HD2       ARG  52   7.492  -0.143   9.905
  421    HE   ARG  52           HE       ARG  52   5.971  -1.669  11.079
  422   1HH1  ARG  52          HH21      ARG  52   8.440  -3.044   9.039
  423   2HH1  ARG  52          HH22      ARG  52   8.462  -4.562   9.872
  424   1HH2  ARG  52          HH12      ARG  52   5.994  -3.664  12.180
  425   2HH2  ARG  52          HH11      ARG  52   7.072  -4.915  11.657
  426    H    LYS  53           HN       LYS  53   5.368  -2.539   4.337
  427    HA   LYS  53           HA       LYS  53   7.621  -1.655   2.847
  428   1HB   LYS  53          HB2       LYS  53   6.268  -4.003   2.994
  429   2HB   LYS  53          HB1       LYS  53   5.629  -3.367   1.484
  430   1HG   LYS  53          HG1       LYS  53   8.083  -2.996   0.833
  431   2HG   LYS  53          HG2       LYS  53   8.452  -4.083   2.175
  432   1HD   LYS  53          HD2       LYS  53   6.817  -5.710   1.112
  433   2HD   LYS  53          HD1       LYS  53   6.862  -4.665  -0.310
  434   1HE   LYS  53          HE2       LYS  53   9.464  -4.933  -0.007
  435   2HE   LYS  53          HE1       LYS  53   8.987  -6.403   0.843
  436   1HZ   LYS  53          HZ1       LYS  53   7.573  -6.164  -1.600
  437   2HZ   LYS  53          HZ2       LYS  53   8.597  -7.404  -1.077
  438   3HZ   LYS  53          HZ3       LYS  53   9.237  -6.062  -1.882
  439    H    LEU  54           HN       LEU  54   4.183  -1.163   2.683
  440    HA   LEU  54           HA       LEU  54   4.061   0.052   0.116
  441   1HB   LEU  54          HB1       LEU  54   2.286  -0.455   2.347
  442   2HB   LEU  54          HB2       LEU  54   2.052   1.168   1.732
  443    HG   LEU  54           HG       LEU  54   0.518  -0.505   0.738
  444   1HD1  LEU  54          HD11      LEU  54   1.089   0.100  -1.680
  445   2HD1  LEU  54          HD12      LEU  54   2.442   1.000  -0.995
  446   3HD1  LEU  54          HD13      LEU  54   0.788   1.418  -0.547
  447   1HD2  LEU  54          HD21      LEU  54   1.695  -1.905  -1.124
  448   2HD2  LEU  54          HD22      LEU  54   1.625  -2.505   0.534
  449   3HD2  LEU  54          HD23      LEU  54   3.100  -1.751  -0.070
  450    H    GLN  55           HN       GLN  55   4.629   1.195   3.390
  451    HA   GLN  55           HA       GLN  55   4.569   3.965   2.801
  452   1HB   GLN  55          HB1       GLN  55   5.923   2.503   5.070
  453   2HB   GLN  55          HB2       GLN  55   5.663   4.240   4.994
  454   1HG   GLN  55          HG1       GLN  55   3.284   3.943   5.068
  455   2HG   GLN  55          HG2       GLN  55   3.461   2.192   4.968
  456   1HE2  GLN  55          HE22      GLN  55   4.690   4.879   6.939
  457   2HE2  GLN  55          HE21      GLN  55   4.487   4.081   8.459
  458    H    GLU  56           HN       GLU  56   6.583   5.345   3.278
  459    HA   GLU  56           HA       GLU  56   8.601   4.589   1.360
  460   1HB   GLU  56          HB2       GLU  56   7.643   7.028   2.541
  461   2HB   GLU  56          HB1       GLU  56   9.390   6.940   2.714
  462   1HG   GLU  56          HG2       GLU  56   9.481   6.420   0.245
  463   2HG   GLU  56          HG1       GLU  56   7.774   6.860   0.185
  464    H    GLU  57           HN       GLU  57   8.550   2.855   3.570
  465    HA   GLU  57           HA       GLU  57  10.606   3.567   5.434
  466   1HB   GLU  57          HB1       GLU  57   9.173   0.978   4.842
  467   2HB   GLU  57          HB2       GLU  57  10.419   1.116   6.074
  468   1HG   GLU  57          HG2       GLU  57   8.080   2.968   6.111
  469   2HG   GLU  57          HG1       GLU  57   7.917   1.323   6.724
  470    H    LYS  58           HN       LYS  58  12.656   2.551   5.657
  471    HA   LYS  58           HA       LYS  58  13.980   2.145   3.148
  472   1HB   LYS  58          HB1       LYS  58  14.794   2.468   5.983
  473   2HB   LYS  58          HB2       LYS  58  15.904   1.589   4.940
  474   1HG   LYS  58          HG1       LYS  58  15.308   3.767   3.412
  475   2HG   LYS  58          HG2       LYS  58  15.275   4.440   5.042
  476   1HD   LYS  58          HD1       LYS  58  17.504   3.674   5.475
  477   2HD   LYS  58          HD2       LYS  58  17.539   2.774   3.956
  478   1HE   LYS  58          HE2       LYS  58  18.791   4.832   3.725
  479   2HE   LYS  58          HE1       LYS  58  17.343   4.888   2.719
  480   1HZ   LYS  58          HZ1       LYS  58  16.901   6.810   3.703
  481   2HZ   LYS  58          HZ2       LYS  58  18.113   6.597   4.862
  482   3HZ   LYS  58          HZ3       LYS  58  16.572   5.951   5.122
  483    H    TYR  59           HN       TYR  59  15.931   0.282   3.742
  484    HA   TYR  59           HA       TYR  59  14.403  -2.180   3.492
  485   1HB   TYR  59          HB2       TYR  59  16.652  -1.257   2.216
  486   2HB   TYR  59          HB1       TYR  59  17.334  -2.375   3.394
  487    HD1  TYR  59           HD1      TYR  59  14.530  -2.241   0.920
  488    HD2  TYR  59           HD2      TYR  59  17.577  -4.576   2.754
  489    HE1  TYR  59           HE1      TYR  59  13.957  -4.129  -0.547
  490    HE2  TYR  59           HE2      TYR  59  17.013  -6.471   1.292
  491    HH   TYR  59           HH       TYR  59  15.272  -7.298  -0.065
  492    H    GLY  60           HN       GLY  60  15.642  -4.175   4.491
  493   1HA   GLY  60          HA2       GLY  60  15.313  -4.001   7.279
  494   2HA   GLY  60          HA1       GLY  60  16.053  -5.343   6.422
  495    H    SER  61           HN       SER  61  18.354  -5.007   5.747
  496    HA   SER  61           HA       SER  61  19.817  -3.925   8.009
  497   1HB   SER  61          HB2       SER  61  20.600  -5.643   5.655
  498   2HB   SER  61          HB1       SER  61  21.798  -4.976   6.765
  499    HG   SER  61           HG       SER  61  20.400  -7.168   7.075
  500    H    CYS  62           HN       CYS  62  21.144  -2.192   7.981
  501    HA   CYS  62           HA       CYS  62  22.141  -1.005   5.591
  502   1HB   CYS  62          HB2       CYS  62  19.562  -0.116   6.583
  503   2HB   CYS  62          HB1       CYS  62  20.735   1.197   6.581
  504    HG   CYS  62           HG       CYS  62  21.064   0.711   3.986
  505    H    HIS  63           HN       HIS  63  22.105  -1.508   8.858
  506    HA   HIS  63           HA       HIS  63  23.379  -0.820  10.609
  507   1HB   HIS  63          HB1       HIS  63  25.124  -1.298   8.748
  508   2HB   HIS  63          HB2       HIS  63  25.274   0.453   8.652
  509    HD2  HIS  63           HD2      HIS  63  27.058  -2.279  10.287
  510    HE1  HIS  63           HE1      HIS  63  27.274   0.925  13.045
  511    HE2  HIS  63           HE2      HIS  63  28.214  -1.345  12.414
  512    H    PHE  64           HN       PHE  64  21.902   0.677  11.423
  513    HA   PHE  64           HA       PHE  64  21.558   3.306  10.538
  514   1HB   PHE  64          HB2       PHE  64  20.946   1.790  13.008
  515   2HB   PHE  64          HB1       PHE  64  21.012   3.540  13.179
  516    HD1  PHE  64           HD1      PHE  64  19.139   4.797  12.708
  517    HD2  PHE  64           HD2      PHE  64  19.488   0.895  11.048
  518    HE1  PHE  64           HE1      PHE  64  16.851   4.974  11.822
  519    HE2  PHE  64           HE2      PHE  64  17.200   1.064  10.159
  520    HZ   PHE  64           HZ       PHE  64  15.878   3.105  10.546
  521    H    THR  65           HN       THR  65  23.318   4.546  10.196
  522    HA   THR  65           HA       THR  65  25.370   4.723  12.271
  523    HB   THR  65           HB       THR  65  25.336   5.928   9.497
  524    HG1  THR  65           HG1      THR  65  27.080   3.896   9.967
  525   1HG2  THR  65          HG21      THR  65  27.248   6.078  11.696
  526   2HG2  THR  65          HG22      THR  65  27.065   7.099  10.269
  527   3HG2  THR  65          HG23      THR  65  27.942   5.573  10.156
  528    H    ASN  66           HN       ASN  66  24.751   6.077  13.850
  529    HA   ASN  66           HA       ASN  66  23.113   8.349  13.488
  530   1HB   ASN  66          HB2       ASN  66  24.853   7.347  15.719
  531   2HB   ASN  66          HB1       ASN  66  24.134   8.952  15.817
  532   1HD2  ASN  66          HD22      ASN  66  21.698   8.800  14.975
  533   2HD2  ASN  66          HD21      ASN  66  20.766   7.614  15.815
  534    HA   PRO  67           HA       PRO  67  25.868  11.436  11.961
  535   1HB   PRO  67          HB1       PRO  67  24.982  13.621  13.387
  536   2HB   PRO  67          HB2       PRO  67  24.206  12.995  11.929
  537   1HG   PRO  67          HG1       PRO  67  23.494  12.550  14.799
  538   2HG   PRO  67          HG2       PRO  67  22.428  12.827  13.409
  539   1HD   PRO  67          HD1       PRO  67  22.798  10.373  14.430
  540   2HD   PRO  67          HD2       PRO  67  22.597  10.632  12.684
  541    H    SER  68           HN       SER  68  25.366  11.376  15.471
  542    HA   SER  68           HA       SER  68  27.919  12.630  15.986
  543   1HB   SER  68          HB1       SER  68  25.518  12.026  17.497
  544   2HB   SER  68          HB2       SER  68  26.964  11.548  18.386
  545    HG   SER  68           HG       SER  68  27.241  13.982  17.208
  546    H    LYS  69           HN       LYS  69  26.884   9.522  15.279
  547    HA   LYS  69           HA       LYS  69  28.885   8.165  16.891
  548   1HB   LYS  69          HB1       LYS  69  26.432   7.395  15.964
  549   2HB   LYS  69          HB2       LYS  69  27.500   6.633  14.793
  550   1HG   LYS  69          HG1       LYS  69  28.750   5.933  17.062
  551   2HG   LYS  69          HG2       LYS  69  27.088   6.044  17.650
  552   1HD   LYS  69          HD1       LYS  69  26.481   4.172  16.586
  553   2HD   LYS  69          HD2       LYS  69  27.291   4.662  15.097
  554   1HE   LYS  69          HE2       LYS  69  28.908   3.730  17.427
  555   2HE   LYS  69          HE1       LYS  69  28.100   2.550  16.396
  556   1HZ   LYS  69          HZ1       LYS  69  30.431   3.084  15.754
  557   2HZ   LYS  69          HZ2       LYS  69  29.921   4.649  15.359
  558   3HZ   LYS  69          HZ3       LYS  69  29.300   3.319  14.517
  559    H    ARG  70           HN       ARG  70  30.263   6.490  15.732
  560    HA   ARG  70           HA       ARG  70  31.783   7.865  13.699
  561   1HB   ARG  70          HB1       ARG  70  32.197   5.205  15.074
  562   2HB   ARG  70          HB2       ARG  70  33.319   5.902  13.914
  563   1HG   ARG  70          HG2       ARG  70  32.788   7.862  15.891
  564   2HG   ARG  70          HG1       ARG  70  33.153   6.341  16.709
  565   1HD   ARG  70          HD1       ARG  70  35.214   6.133  15.421
  566   2HD   ARG  70          HD2       ARG  70  34.845   7.635  14.574
  567    HE   ARG  70           HE       ARG  70  35.555   7.404  17.419
  568   1HH1  ARG  70          HH11      ARG  70  35.157   9.300  14.522
  569   2HH1  ARG  70          HH12      ARG  70  35.904  10.713  15.191
  570   1HH2  ARG  70          HH22      ARG  70  36.540   9.261  18.306
  571   2HH2  ARG  70          HH21      ARG  70  36.689  10.690  17.340
  572    H    GLU  71           HN       GLU  71  32.602   6.588  11.793
  573    HA   GLU  71           HA       GLU  71  30.310   5.427  10.422
  574   1HB   GLU  71          HB1       GLU  71  31.662   7.197   9.330
  575   2HB   GLU  71          HB2       GLU  71  33.055   6.124   9.358
  576   1HG   GLU  71          HG2       GLU  71  32.158   6.018   7.181
  577   2HG   GLU  71          HG1       GLU  71  31.716   4.511   7.982
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1 -10.244 -12.001   5.298
    2   2H    MET   1          HT2       MET   1  -9.541 -12.607   6.741
    3   3H    MET   1          HT3       MET   1  -9.555 -13.573   5.322
    4    HA   MET   1           HA       MET   1  -7.417 -12.496   5.901
    5   1HB   MET   1          HB2       MET   1  -7.293 -11.610   3.405
    6   2HB   MET   1          HB1       MET   1  -7.451 -13.324   3.762
    7   1HG   MET   1          HG2       MET   1 -10.017 -12.786   3.609
    8   2HG   MET   1          HG1       MET   1  -9.445 -11.424   2.648
    9   1HE   MET   1          HE1       MET   1  -7.941 -14.968   3.066
   10   2HE   MET   1          HE2       MET   1  -8.466 -15.807   1.607
   11   3HE   MET   1          HE3       MET   1  -9.637 -15.402   2.861
   12    H    TYR   2           HN       TYR   2  -6.173 -10.510   5.235
   13    HA   TYR   2           HA       TYR   2  -7.703  -8.121   6.007
   14   1HB   TYR   2          HB2       TYR   2  -5.020  -9.117   6.685
   15   2HB   TYR   2          HB1       TYR   2  -5.075  -7.403   6.286
   16    HD1  TYR   2           HD1      TYR   2  -4.891  -6.241   8.280
   17    HD2  TYR   2           HD2      TYR   2  -7.535  -9.569   8.083
   18    HE1  TYR   2           HE1      TYR   2  -5.691  -5.732  10.546
   19    HE2  TYR   2           HE2      TYR   2  -8.343  -9.068  10.350
   20    HH   TYR   2           HH       TYR   2  -8.472  -6.987  11.842
   21    H    ILE   3           HN       ILE   3  -7.057  -6.078   5.056
   22    HA   ILE   3           HA       ILE   3  -5.977  -6.331   2.328
   23    HB   ILE   3           HB       ILE   3  -7.587  -4.540   1.655
   24   1HG1  ILE   3          HG12      ILE   3  -9.273  -5.197   4.025
   25   2HG1  ILE   3          HG11      ILE   3  -7.956  -4.050   4.247
   26   1HG2  ILE   3          HG21      ILE   3  -8.583  -7.214   2.576
   27   2HG2  ILE   3          HG22      ILE   3  -8.179  -6.682   0.942
   28   3HG2  ILE   3          HG23      ILE   3  -9.633  -6.073   1.733
   29   1HD1  ILE   3          HD11      ILE   3 -10.067  -3.763   2.131
   30   2HD1  ILE   3          HD12      ILE   3  -8.872  -2.568   2.637
   31   3HD1  ILE   3          HD13      ILE   3 -10.171  -3.035   3.734
   32    H    ILE   4           HN       ILE   4  -4.923  -4.450   1.495
   33    HA   ILE   4           HA       ILE   4  -4.158  -2.502   3.572
   34    HB   ILE   4           HB       ILE   4  -2.490  -3.911   1.527
   35   1HG1  ILE   4          HG11      ILE   4  -0.936  -3.527   3.702
   36   2HG1  ILE   4          HG12      ILE   4  -2.526  -3.463   4.458
   37   1HG2  ILE   4          HG21      ILE   4  -0.760  -2.025   2.411
   38   2HG2  ILE   4          HG22      ILE   4  -2.242  -1.078   2.260
   39   3HG2  ILE   4          HG23      ILE   4  -1.610  -1.953   0.864
   40   1HD1  ILE   4          HD11      ILE   4  -1.609  -5.714   2.694
   41   2HD1  ILE   4          HD12      ILE   4  -3.050  -5.655   3.709
   42   3HD1  ILE   4          HD13      ILE   4  -1.451  -5.706   4.451
   43    H    PHE   5           HN       PHE   5  -3.868  -0.329   2.901
   44    HA   PHE   5           HA       PHE   5  -4.764   0.348   0.200
   45   1HB   PHE   5          HB1       PHE   5  -6.066   2.253   1.692
   46   2HB   PHE   5          HB2       PHE   5  -6.816   0.837   0.969
   47    HD1  PHE   5           HD1      PHE   5  -5.951   2.516   4.012
   48    HD2  PHE   5           HD2      PHE   5  -7.172  -1.209   2.366
   49    HE1  PHE   5           HE1      PHE   5  -6.665   1.771   6.240
   50    HE2  PHE   5           HE2      PHE   5  -7.886  -1.962   4.595
   51    HZ   PHE   5           HZ       PHE   5  -7.632  -0.467   6.533
   52    H    ARG   6           HN       ARG   6  -4.938   3.092   0.462
   53    HA   ARG   6           HA       ARG   6  -2.396   3.937   1.652
   54   1HB   ARG   6          HB2       ARG   6  -3.162   4.501  -1.219
   55   2HB   ARG   6          HB1       ARG   6  -1.718   5.080  -0.400
   56   1HG   ARG   6          HG2       ARG   6  -1.470   2.412  -0.031
   57   2HG   ARG   6          HG1       ARG   6  -2.300   2.460  -1.587
   58   1HD   ARG   6          HD1       ARG   6   0.451   3.057  -0.950
   59   2HD   ARG   6          HD2       ARG   6  -0.309   2.806  -2.519
   60    HE   ARG   6           HE       ARG   6  -0.121   5.390  -1.120
   61   1HH1  ARG   6          HH22      ARG   6  -0.526   3.510  -4.026
   62   2HH1  ARG   6          HH21      ARG   6  -0.462   4.883  -5.077
   63   1HH2  ARG   6          HH11      ARG   6  -0.036   7.205  -2.498
   64   2HH2  ARG   6          HH12      ARG   6  -0.183   6.984  -4.210
   65    H    CYS   7           HN       CYS   7  -2.524   5.868   2.633
   66    HA   CYS   7           HA       CYS   7  -4.988   7.332   2.551
   67   1HB   CYS   7          HB2       CYS   7  -3.491   7.010   4.599
   68   2HB   CYS   7          HB1       CYS   7  -2.442   8.230   3.887
   69    HG   CYS   7           HG       CYS   7  -4.927   8.791   5.446
   70    H    ASP   8           HN       ASP   8  -4.933   9.761   2.244
   71    HA   ASP   8           HA       ASP   8  -4.098  10.343  -0.360
   72   1HB   ASP   8          HB1       ASP   8  -5.451  11.740   1.803
   73   2HB   ASP   8          HB2       ASP   8  -4.405  12.820   0.887
   74    H    CYS   9           HN       CYS   9  -2.524  10.827   2.716
   75    HA   CYS   9           HA       CYS   9  -0.463  12.558   1.741
   76   1HB   CYS   9          HB2       CYS   9  -0.679  10.847   4.224
   77   2HB   CYS   9          HB1       CYS   9   0.669  11.934   3.901
   78    HG   CYS   9           HG       CYS   9  -2.076  12.759   4.908
   79    H    GLY  10           HN       GLY  10  -1.164   9.530   0.895
   80   1HA   GLY  10          HA1       GLY  10   0.101   8.061  -0.404
   81   2HA   GLY  10          HA2       GLY  10   1.551   8.948   0.052
   82    H    ARG  11           HN       ARG  11  -0.638   8.006   2.533
   83    HA   ARG  11           HA       ARG  11   1.405   6.372   3.759
   84   1HB   ARG  11          HB1       ARG  11  -1.415   6.867   4.724
   85   2HB   ARG  11          HB2       ARG  11  -0.061   6.268   5.672
   86   1HG   ARG  11          HG2       ARG  11   0.492   8.829   4.408
   87   2HG   ARG  11          HG1       ARG  11  -0.887   8.879   5.509
   88   1HD   ARG  11          HD2       ARG  11   0.561   7.749   7.219
   89   2HD   ARG  11          HD1       ARG  11   1.923   7.988   6.125
   90    HE   ARG  11           HE       ARG  11   0.645   9.973   7.766
   91   1HH1  ARG  11          HH12      ARG  11   2.573   9.419   4.916
   92   2HH1  ARG  11          HH11      ARG  11   3.260  11.008   4.915
   93   1HH2  ARG  11          HH21      ARG  11   1.547  12.067   7.772
   94   2HH2  ARG  11          HH22      ARG  11   2.678  12.513   6.538
   95    H    ALA  12           HN       ALA  12  -0.027   4.443   5.090
   96    HA   ALA  12           HA       ALA  12  -1.592   2.870   3.274
   97   1HB   ALA  12          HB1       ALA  12   1.187   2.574   3.097
   98   2HB   ALA  12          HB2       ALA  12  -0.054   1.537   2.392
   99   3HB   ALA  12          HB3       ALA  12   0.604   1.167   3.986
  100    H    LEU  13           HN       LEU  13  -2.913   1.535   4.410
  101    HA   LEU  13           HA       LEU  13  -2.153   0.871   7.171
  102   1HB   LEU  13          HB1       LEU  13  -4.653   2.189   6.174
  103   2HB   LEU  13          HB2       LEU  13  -4.695   1.211   7.628
  104    HG   LEU  13           HG       LEU  13  -4.468   3.487   8.278
  105   1HD1  LEU  13          HD11      LEU  13  -2.878   3.173   9.835
  106   2HD1  LEU  13          HD12      LEU  13  -1.644   2.772   8.640
  107   3HD1  LEU  13          HD13      LEU  13  -2.810   1.549   9.148
  108   1HD2  LEU  13          HD21      LEU  13  -1.917   4.207   7.238
  109   2HD2  LEU  13          HD22      LEU  13  -3.471   5.020   7.047
  110   3HD2  LEU  13          HD23      LEU  13  -2.990   3.759   5.912
  111    H    TYR  14           HN       TYR  14  -4.093  -0.653   8.048
  112    HA   TYR  14           HA       TYR  14  -4.716  -2.654   5.985
  113   1HB   TYR  14          HB2       TYR  14  -4.022  -4.452   7.564
  114   2HB   TYR  14          HB1       TYR  14  -2.687  -3.451   7.008
  115    HD1  TYR  14           HD1      TYR  14  -4.576  -4.591   9.870
  116    HD2  TYR  14           HD2      TYR  14  -1.706  -1.744   8.547
  117    HE1  TYR  14           HE1      TYR  14  -3.936  -4.162  12.204
  118    HE2  TYR  14           HE2      TYR  14  -1.057  -1.307  10.878
  119    HH   TYR  14           HH       TYR  14  -1.516  -1.703  13.024
  120    H    SER  15           HN       SER  15  -6.613  -3.756   6.270
  121    HA   SER  15           HA       SER  15  -8.054  -3.668   8.770
  122   1HB   SER  15          HB1       SER  15  -8.590  -1.477   7.594
  123   2HB   SER  15          HB2       SER  15  -9.385  -2.441   6.349
  124    HG   SER  15           HG       SER  15 -10.078  -2.916   9.010
  125    H    ARG  16           HN       ARG  16 -10.521  -4.491   8.028
  126    HA   ARG  16           HA       ARG  16  -9.996  -7.148   7.068
  127   1HB   ARG  16          HB1       ARG  16 -12.321  -7.603   7.520
  128   2HB   ARG  16          HB2       ARG  16 -11.617  -6.731   8.875
  129   1HG   ARG  16          HG1       ARG  16 -12.659  -4.776   7.164
  130   2HG   ARG  16          HG2       ARG  16 -13.873  -6.056   7.248
  131   1HD   ARG  16          HD2       ARG  16 -12.567  -5.128   9.759
  132   2HD   ARG  16          HD1       ARG  16 -13.816  -4.120   9.028
  133    HE   ARG  16           HE       ARG  16 -15.080  -6.434   9.102
  134   1HH1  ARG  16          HH22      ARG  16 -13.062  -4.953  11.524
  135   2HH1  ARG  16          HH21      ARG  16 -13.894  -5.688  12.853
  136   1HH2  ARG  16          HH12      ARG  16 -16.186  -7.405  10.845
  137   2HH2  ARG  16          HH11      ARG  16 -15.671  -7.081  12.467
  138    H    GLU  17           HN       GLU  17 -11.033  -8.153   5.277
  139    HA   GLU  17           HA       GLU  17 -10.878  -6.723   2.876
  140   1HB   GLU  17          HB1       GLU  17 -10.874  -9.310   3.401
  141   2HB   GLU  17          HB2       GLU  17 -12.594  -9.162   3.067
  142   1HG   GLU  17          HG2       GLU  17 -11.560  -7.859   0.940
  143   2HG   GLU  17          HG1       GLU  17 -10.294  -9.047   1.247
  144    H    GLY  18           HN       GLY  18 -12.162  -5.055   2.367
  145   1HA   GLY  18          HA2       GLY  18 -14.574  -4.988   1.392
  146   2HA   GLY  18          HA1       GLY  18 -15.010  -5.196   3.079
  147    H    ALA  19           HN       ALA  19 -12.329  -3.455   3.352
  148    HA   ALA  19           HA       ALA  19 -13.754  -1.018   3.831
  149   1HB   ALA  19          HB1       ALA  19 -11.113  -2.082   4.419
  150   2HB   ALA  19          HB2       ALA  19 -12.102  -0.939   5.325
  151   3HB   ALA  19          HB3       ALA  19 -11.089  -0.370   3.998
  152    H    LYS  20           HN       LYS  20 -14.378   0.243   2.209
  153    HA   LYS  20           HA       LYS  20 -12.820   0.370  -0.247
  154   1HB   LYS  20          HB2       LYS  20 -15.482   1.576   0.523
  155   2HB   LYS  20          HB1       LYS  20 -14.719   1.797  -1.046
  156   1HG   LYS  20          HG1       LYS  20 -15.795  -0.021  -1.713
  157   2HG   LYS  20          HG2       LYS  20 -14.719  -0.949  -0.667
  158   1HD   LYS  20          HD1       LYS  20 -16.362  -0.488   1.205
  159   2HD   LYS  20          HD2       LYS  20 -17.467   0.103  -0.037
  160   1HE   LYS  20          HE1       LYS  20 -16.663  -2.299  -1.070
  161   2HE   LYS  20          HE2       LYS  20 -16.710  -2.634   0.661
  162   1HZ   LYS  20          HZ1       LYS  20 -18.982  -1.890   0.738
  163   2HZ   LYS  20          HZ2       LYS  20 -18.832  -3.085  -0.449
  164   3HZ   LYS  20          HZ3       LYS  20 -18.949  -1.459  -0.896
  165    H    THR  21           HN       THR  21 -13.889   2.483   2.374
  166    HA   THR  21           HA       THR  21 -11.666   4.274   1.785
  167    HB   THR  21           HB       THR  21 -13.548   6.129   2.397
  168    HG1  THR  21           HG1      THR  21 -15.422   5.231   2.134
  169   1HG2  THR  21          HG21      THR  21 -11.977   6.229   0.501
  170   2HG2  THR  21          HG22      THR  21 -13.604   6.773   0.095
  171   3HG2  THR  21          HG23      THR  21 -13.058   5.173  -0.409
  172    H    ARG  22           HN       ARG  22 -10.561   4.245   3.619
  173    HA   ARG  22           HA       ARG  22 -11.936   3.954   6.168
  174   1HB   ARG  22          HB1       ARG  22  -9.148   3.628   5.197
  175   2HB   ARG  22          HB2       ARG  22  -9.347   4.126   6.871
  176   1HG   ARG  22          HG2       ARG  22 -10.749   1.733   5.718
  177   2HG   ARG  22          HG1       ARG  22  -9.145   1.647   6.451
  178   1HD   ARG  22          HD2       ARG  22  -9.960   1.805   8.532
  179   2HD   ARG  22          HD1       ARG  22 -11.109   3.064   8.083
  180    HE   ARG  22           HE       ARG  22 -11.663   0.262   7.405
  181   1HH1  ARG  22          HH22      ARG  22 -12.482   3.192   9.102
  182   2HH1  ARG  22          HH21      ARG  22 -14.062   2.641   9.552
  183   1HH2  ARG  22          HH12      ARG  22 -13.739  -0.472   7.993
  184   2HH2  ARG  22          HH11      ARG  22 -14.776   0.558   8.923
  185    H    LYS  23           HN       LYS  23 -10.538   5.297   7.966
  186    HA   LYS  23           HA       LYS  23 -10.140   8.040   7.101
  187   1HB   LYS  23          HB1       LYS  23 -12.551   7.942   7.536
  188   2HB   LYS  23          HB2       LYS  23 -12.246   7.300   9.143
  189   1HG   LYS  23          HG2       LYS  23 -12.278   9.385   9.887
  190   2HG   LYS  23          HG1       LYS  23 -10.762   9.651   9.024
  191   1HD   LYS  23          HD1       LYS  23 -11.818  10.633   7.210
  192   2HD   LYS  23          HD2       LYS  23 -13.372   9.883   7.580
  193   1HE   LYS  23          HE1       LYS  23 -13.768  11.364   9.378
  194   2HE   LYS  23          HE2       LYS  23 -12.100  11.935   9.371
  195   1HZ   LYS  23          HZ1       LYS  23 -12.906  13.608   8.161
  196   2HZ   LYS  23          HZ2       LYS  23 -14.337  12.793   7.779
  197   3HZ   LYS  23          HZ3       LYS  23 -12.936  12.514   6.871
  198    H    CYS  24           HN       CYS  24  -8.934   9.272   8.534
  199    HA   CYS  24           HA       CYS  24  -7.550   7.723  10.593
  200   1HB   CYS  24          HB2       CYS  24  -6.337   9.024   8.710
  201   2HB   CYS  24          HB1       CYS  24  -6.739  10.462   9.644
  202    HG   CYS  24           HG       CYS  24  -4.998   9.902  11.303
  203    H    VAL  25           HN       VAL  25  -7.870   8.105  12.678
  204    HA   VAL  25           HA       VAL  25  -9.897   9.877  13.547
  205    HB   VAL  25           HB       VAL  25  -7.845   8.765  15.424
  206   1HG1  VAL  25          HG11      VAL  25 -10.192   8.275  16.571
  207   2HG1  VAL  25          HG12      VAL  25 -10.689   9.604  15.524
  208   3HG1  VAL  25          HG13      VAL  25  -9.395   9.844  16.697
  209   1HG2  VAL  25          HG21      VAL  25 -10.008   6.916  14.956
  210   2HG2  VAL  25          HG22      VAL  25  -8.267   6.638  14.925
  211   3HG2  VAL  25          HG23      VAL  25  -9.094   7.204  13.473
  212    H    CYS  26           HN       CYS  26  -6.503  10.214  13.087
  213    HA   CYS  26           HA       CYS  26  -6.079  12.431  14.827
  214   1HB   CYS  26          HB2       CYS  26  -4.395  10.787  13.555
  215   2HB   CYS  26          HB1       CYS  26  -4.405  12.102  12.385
  216    HG   CYS  26           HG       CYS  26  -2.747  12.094  14.787
  217    H    GLY  27           HN       GLY  27  -7.347  12.049  11.624
  218   1HA   GLY  27          HA1       GLY  27  -8.821  14.000  11.012
  219   2HA   GLY  27          HA2       GLY  27  -7.396  14.987  11.303
  220    H    ARG  28           HN       ARG  28  -8.495  12.228   9.348
  221    HA   ARG  28           HA       ARG  28  -7.696  13.402   6.897
  222   1HB   ARG  28          HB2       ARG  28  -5.731  11.754   8.328
  223   2HB   ARG  28          HB1       ARG  28  -6.030  11.223   6.678
  224   1HG   ARG  28          HG1       ARG  28  -5.434  13.389   5.819
  225   2HG   ARG  28          HG2       ARG  28  -5.279  14.030   7.456
  226   1HD   ARG  28          HD1       ARG  28  -3.551  11.970   6.104
  227   2HD   ARG  28          HD2       ARG  28  -3.080  13.572   6.669
  228    HE   ARG  28           HE       ARG  28  -4.054  11.849   8.754
  229   1HH1  ARG  28          HH22      ARG  28  -1.259  12.810   6.904
  230   2HH1  ARG  28          HH21      ARG  28  -0.127  12.315   8.117
  231   1HH2  ARG  28          HH11      ARG  28  -2.568  11.194  10.355
  232   2HH2  ARG  28          HH12      ARG  28  -0.870  11.396  10.078
  233    H    THR  29           HN       THR  29  -7.448  11.383   5.210
  234    HA   THR  29           HA       THR  29  -9.438   9.340   5.850
  235    HB   THR  29           HB       THR  29  -9.605  11.143   3.426
  236    HG1  THR  29           HG1      THR  29 -11.815  11.335   4.562
  237   1HG2  THR  29          HG21      THR  29 -11.891   9.448   3.945
  238   2HG2  THR  29          HG22      THR  29 -10.439   8.524   3.557
  239   3HG2  THR  29          HG23      THR  29 -11.025   9.758   2.441
  240    H    VAL  30           HN       VAL  30  -8.887   7.389   5.068
  241    HA   VAL  30           HA       VAL  30  -6.582   7.283   3.258
  242    HB   VAL  30           HB       VAL  30  -7.626   4.988   4.899
  243   1HG1  VAL  30          HG21      VAL  30  -4.784   5.336   4.111
  244   2HG1  VAL  30          HG22      VAL  30  -5.934   4.878   2.855
  245   3HG1  VAL  30          HG23      VAL  30  -5.739   3.864   4.285
  246   1HG2  VAL  30          HG11      VAL  30  -5.399   5.789   6.207
  247   2HG2  VAL  30          HG12      VAL  30  -7.037   6.250   6.672
  248   3HG2  VAL  30          HG13      VAL  30  -6.057   7.344   5.695
  249    H    ASN  31           HN       ASN  31  -7.093   7.028   1.220
  250    HA   ASN  31           HA       ASN  31  -9.532   5.606   0.472
  251   1HB   ASN  31          HB1       ASN  31  -8.213   7.858  -0.552
  252   2HB   ASN  31          HB2       ASN  31  -7.984   6.599  -1.763
  253   1HD2  ASN  31          HD21      ASN  31  -9.960   5.408  -2.401
  254   2HD2  ASN  31          HD22      ASN  31 -11.429   6.306  -2.539
  255    H    VAL  32           HN       VAL  32  -9.443   3.498   0.045
  256    HA   VAL  32           HA       VAL  32  -7.016   2.086  -0.312
  257    HB   VAL  32           HB       VAL  32  -8.250   0.134  -0.477
  258   1HG1  VAL  32          HG11      VAL  32  -9.116   0.324   1.553
  259   2HG1  VAL  32          HG12      VAL  32 -10.507   1.195   0.906
  260   3HG1  VAL  32          HG13      VAL  32  -9.062   2.080   1.395
  261   1HG2  VAL  32          HG21      VAL  32  -9.573   0.518  -2.411
  262   2HG2  VAL  32          HG22      VAL  32 -10.510   1.774  -1.598
  263   3HG2  VAL  32          HG23      VAL  32 -10.678   0.088  -1.103
  264    H    LYS  33           HN       LYS  33  -7.285   0.361  -2.381
  265    HA   LYS  33           HA       LYS  33  -6.282   1.777  -4.558
  266   1HB   LYS  33          HB2       LYS  33  -6.396  -0.834  -3.913
  267   2HB   LYS  33          HB1       LYS  33  -7.669  -0.785  -5.124
  268   1HG   LYS  33          HG1       LYS  33  -5.965   0.363  -6.630
  269   2HG   LYS  33          HG2       LYS  33  -4.758  -0.151  -5.450
  270   1HD   LYS  33          HD2       LYS  33  -4.659  -2.062  -6.604
  271   2HD   LYS  33          HD1       LYS  33  -6.225  -2.441  -5.884
  272   1HE   LYS  33          HE1       LYS  33  -6.326  -2.748  -8.280
  273   2HE   LYS  33          HE2       LYS  33  -7.343  -1.387  -7.804
  274   1HZ   LYS  33          HZ1       LYS  33  -5.081  -1.433  -9.543
  275   2HZ   LYS  33          HZ2       LYS  33  -4.902  -0.272  -8.326
  276   3HZ   LYS  33          HZ3       LYS  33  -6.255  -0.233  -9.341
  277    H    ASP  34           HN       ASP  34  -7.382   1.298  -6.864
  278    HA   ASP  34           HA       ASP  34  -9.877   2.790  -6.779
  279   1HB   ASP  34          HB2       ASP  34  -7.700   2.815  -8.497
  280   2HB   ASP  34          HB1       ASP  34  -8.942   1.981  -9.426
  281    H    ARG  35           HN       ARG  35  -8.648  -0.302  -7.987
  282    HA   ARG  35           HA       ARG  35 -11.315  -1.168  -8.739
  283   1HB   ARG  35          HB2       ARG  35  -8.577  -2.392  -8.937
  284   2HB   ARG  35          HB1       ARG  35 -10.018  -3.365  -9.193
  285   1HG   ARG  35          HG1       ARG  35 -10.634  -2.162 -11.100
  286   2HG   ARG  35          HG2       ARG  35  -9.554  -0.822 -10.710
  287   1HD   ARG  35          HD1       ARG  35  -7.772  -2.836 -10.877
  288   2HD   ARG  35          HD2       ARG  35  -8.986  -3.400 -12.026
  289    HE   ARG  35           HE       ARG  35  -8.690  -0.994 -12.955
  290   1HH1  ARG  35          HH22      ARG  35  -6.189  -3.040 -11.649
  291   2HH1  ARG  35          HH21      ARG  35  -4.935  -2.345 -12.620
  292   1HH2  ARG  35          HH12      ARG  35  -7.046  -0.073 -14.236
  293   2HH2  ARG  35          HH11      ARG  35  -5.422  -0.658 -14.091
  294    H    ARG  36           HN       ARG  36  -9.370  -3.645  -7.411
  295    HA   ARG  36           HA       ARG  36 -11.317  -4.172  -5.369
  296   1HB   ARG  36          HB2       ARG  36  -8.684  -5.597  -5.578
  297   2HB   ARG  36          HB1       ARG  36 -10.241  -6.223  -5.054
  298   1HG   ARG  36          HG1       ARG  36 -11.031  -6.429  -7.235
  299   2HG   ARG  36          HG2       ARG  36  -9.806  -5.334  -7.880
  300   1HD   ARG  36          HD1       ARG  36  -8.733  -7.207  -8.478
  301   2HD   ARG  36          HD2       ARG  36  -8.269  -7.294  -6.779
  302    HE   ARG  36           HE       ARG  36 -10.775  -8.537  -7.169
  303   1HH1  ARG  36          HH21      ARG  36  -7.373  -9.009  -7.764
  304   2HH1  ARG  36          HH22      ARG  36  -7.479 -10.738  -7.738
  305   1HH2  ARG  36          HH12      ARG  36 -10.922 -10.809  -7.135
  306   2HH2  ARG  36          HH11      ARG  36  -9.496 -11.761  -7.382
  307    H    ILE  37           HN       ILE  37  -7.973  -4.694  -4.585
  308    HA   ILE  37           HA       ILE  37  -7.793  -2.426  -2.791
  309    HB   ILE  37           HB       ILE  37  -8.682  -5.031  -1.860
  310   1HG1  ILE  37          HG12      ILE  37  -9.586  -2.663  -1.421
  311   2HG1  ILE  37          HG11      ILE  37  -9.549  -3.789  -0.069
  312   1HG2  ILE  37          HG21      ILE  37  -7.267  -5.338   0.030
  313   2HG2  ILE  37          HG22      ILE  37  -6.370  -3.860  -0.325
  314   3HG2  ILE  37          HG23      ILE  37  -6.234  -5.256  -1.397
  315   1HD1  ILE  37          HD11      ILE  37  -8.822  -1.560   0.583
  316   2HD1  ILE  37          HD12      ILE  37  -7.521  -1.634  -0.606
  317   3HD1  ILE  37          HD13      ILE  37  -7.524  -2.742   0.767
  318    H    PHE  38           HN       PHE  38  -5.690  -2.172  -1.879
  319    HA   PHE  38           HA       PHE  38  -3.615  -3.468  -3.469
  320   1HB   PHE  38          HB1       PHE  38  -3.907  -0.877  -2.782
  321   2HB   PHE  38          HB2       PHE  38  -2.904  -1.419  -1.440
  322    HD1  PHE  38           HD1      PHE  38  -0.720  -2.604  -1.998
  323    HD2  PHE  38           HD2      PHE  38  -2.958  -0.365  -4.843
  324    HE1  PHE  38           HE1      PHE  38   1.284  -2.402  -3.410
  325    HE2  PHE  38           HE2      PHE  38  -0.957  -0.160  -6.259
  326    HZ   PHE  38           HZ       PHE  38   1.168  -1.179  -5.544
  327    H    GLY  39           HN       GLY  39  -1.802  -4.481  -2.515
  328   1HA   GLY  39          HA1       GLY  39  -0.907  -6.080  -1.121
  329   2HA   GLY  39          HA2       GLY  39  -1.159  -4.845   0.103
  330    H    ARG  40           HN       ARG  40  -2.369  -7.797  -1.294
  331    HA   ARG  40           HA       ARG  40  -4.570  -7.904   0.620
  332   1HB   ARG  40          HB1       ARG  40  -4.311  -8.848  -1.967
  333   2HB   ARG  40          HB2       ARG  40  -4.126 -10.299  -0.990
  334   1HG   ARG  40          HG1       ARG  40  -6.376  -8.432  -0.421
  335   2HG   ARG  40          HG2       ARG  40  -6.484  -9.539  -1.792
  336   1HD   ARG  40          HD2       ARG  40  -5.753 -11.328  -0.042
  337   2HD   ARG  40          HD1       ARG  40  -6.330 -10.143   1.131
  338    HE   ARG  40           HE       ARG  40  -8.462 -10.715   0.569
  339   1HH1  ARG  40          HH11      ARG  40  -6.345 -11.680  -2.024
  340   2HH1  ARG  40          HH12      ARG  40  -7.594 -12.478  -2.920
  341   1HH2  ARG  40          HH21      ARG  40 -10.114 -11.764  -0.603
  342   2HH2  ARG  40          HH22      ARG  40  -9.736 -12.526  -2.112
  343    H    ALA  41           HN       ALA  41  -3.532  -8.149   2.562
  344    HA   ALA  41           HA       ALA  41  -1.674 -10.385   2.878
  345   1HB   ALA  41          HB1       ALA  41  -0.858  -8.368   3.813
  346   2HB   ALA  41          HB2       ALA  41  -1.333  -9.401   5.164
  347   3HB   ALA  41          HB3       ALA  41  -2.375  -8.065   4.662
  348    H    ASP  42           HN       ASP  42  -2.392 -12.282   3.557
  349    HA   ASP  42           HA       ASP  42  -5.033 -12.539   4.704
  350   1HB   ASP  42          HB2       ASP  42  -4.217 -14.195   3.071
  351   2HB   ASP  42          HB1       ASP  42  -2.914 -14.637   4.171
  352    H    ASP  43           HN       ASP  43  -1.684 -12.853   5.728
  353    HA   ASP  43           HA       ASP  43  -2.472 -13.623   8.427
  354   1HB   ASP  43          HB1       ASP  43   0.052 -13.599   6.872
  355   2HB   ASP  43          HB2       ASP  43   0.204 -13.297   8.600
  356    H    PHE  44           HN       PHE  44  -2.508 -12.281  10.142
  357    HA   PHE  44           HA       PHE  44  -2.613  -9.510   9.829
  358   1HB   PHE  44          HB1       PHE  44  -3.567 -10.840  11.744
  359   2HB   PHE  44          HB2       PHE  44  -1.935 -10.960  12.394
  360    HD1  PHE  44           HD1      PHE  44  -0.843  -9.047  13.379
  361    HD2  PHE  44           HD2      PHE  44  -4.766  -8.735  11.758
  362    HE1  PHE  44           HE1      PHE  44  -1.138  -6.887  14.519
  363    HE2  PHE  44           HE2      PHE  44  -5.069  -6.576  12.897
  364    HZ   PHE  44           HZ       PHE  44  -3.253  -5.649  14.278
  365    H    GLU  45           HN       GLU  45   0.051 -11.631  10.705
  366    HA   GLU  45           HA       GLU  45   1.892  -9.600  11.427
  367   1HB   GLU  45          HB1       GLU  45   1.943 -12.488  10.981
  368   2HB   GLU  45          HB2       GLU  45   3.427 -11.695  10.472
  369   1HG   GLU  45          HG2       GLU  45   3.696 -10.723  12.676
  370   2HG   GLU  45          HG1       GLU  45   2.174 -11.445  13.196
  371    H    GLU  46           HN       GLU  46   1.196 -11.291   8.405
  372    HA   GLU  46           HA       GLU  46   3.250 -10.063   6.883
  373   1HB   GLU  46          HB1       GLU  46   0.654 -11.383   6.077
  374   2HB   GLU  46          HB2       GLU  46   1.852 -10.816   4.921
  375   1HG   GLU  46          HG1       GLU  46   3.510 -12.326   6.001
  376   2HG   GLU  46          HG2       GLU  46   2.199 -12.970   6.990
  377    H    ALA  47           HN       ALA  47   0.100  -9.083   7.900
  378    HA   ALA  47           HA       ALA  47  -0.521  -7.144   5.976
  379   1HB   ALA  47          HB1       ALA  47  -2.342  -7.327   7.270
  380   2HB   ALA  47          HB2       ALA  47  -1.565  -6.112   8.284
  381   3HB   ALA  47          HB3       ALA  47  -1.406  -7.824   8.681
  382    H    SER  48           HN       SER  48   1.168  -6.805   9.092
  383    HA   SER  48           HA       SER  48   1.706  -4.065   8.907
  384   1HB   SER  48          HB2       SER  48   1.950  -5.544  10.952
  385   2HB   SER  48          HB1       SER  48   3.479  -6.098  10.270
  386    HG   SER  48           HG       SER  48   3.517  -4.245  11.799
  387    H    GLU  49           HN       GLU  49   3.455  -6.862   7.683
  388    HA   GLU  49           HA       GLU  49   5.792  -5.454   6.898
  389   1HB   GLU  49          HB2       GLU  49   4.704  -8.157   6.604
  390   2HB   GLU  49          HB1       GLU  49   5.664  -7.640   5.224
  391   1HG   GLU  49          HG2       GLU  49   7.102  -6.902   7.526
  392   2HG   GLU  49          HG1       GLU  49   6.529  -8.549   7.786
  393    H    LEU  50           HN       LEU  50   2.786  -6.287   5.256
  394    HA   LEU  50           HA       LEU  50   3.581  -5.435   2.671
  395   1HB   LEU  50          HB1       LEU  50   1.142  -6.350   3.988
  396   2HB   LEU  50          HB2       LEU  50   0.832  -5.130   2.770
  397    HG   LEU  50           HG       LEU  50   2.113  -6.543   1.137
  398   1HD1  LEU  50          HD21      LEU  50   1.920  -8.619   3.314
  399   2HD1  LEU  50          HD22      LEU  50   3.404  -7.812   2.806
  400   3HD1  LEU  50          HD23      LEU  50   2.541  -8.860   1.680
  401   1HD2  LEU  50          HD11      LEU  50   0.297  -8.018   0.693
  402   2HD2  LEU  50          HD12      LEU  50  -0.378  -6.530   1.357
  403   3HD2  LEU  50          HD13      LEU  50  -0.234  -7.964   2.375
  404    H    VAL  51           HN       VAL  51   1.906  -3.863   5.342
  405    HA   VAL  51           HA       VAL  51   1.312  -1.438   4.043
  406    HB   VAL  51           HB       VAL  51   1.693  -2.081   6.963
  407   1HG1  VAL  51          HG21      VAL  51   0.182   0.135   7.011
  408   2HG1  VAL  51          HG22      VAL  51   1.190   0.490   5.608
  409   3HG1  VAL  51          HG23      VAL  51   1.938   0.154   7.169
  410   1HG2  VAL  51          HG11      VAL  51  -0.480  -2.648   7.026
  411   2HG2  VAL  51          HG12      VAL  51  -0.292  -2.866   5.286
  412   3HG2  VAL  51          HG13      VAL  51  -0.952  -1.357   5.919
  413    H    ARG  52           HN       ARG  52   4.094  -2.458   6.001
  414    HA   ARG  52           HA       ARG  52   5.379   0.039   6.117
  415   1HB   ARG  52          HB1       ARG  52   5.887  -2.231   7.342
  416   2HB   ARG  52          HB2       ARG  52   6.952  -2.509   5.972
  417   1HG   ARG  52          HG2       ARG  52   8.463  -1.491   7.284
  418   2HG   ARG  52          HG1       ARG  52   7.714  -0.022   6.657
  419   1HD   ARG  52          HD2       ARG  52   6.354   0.211   8.594
  420   2HD   ARG  52          HD1       ARG  52   6.800  -1.394   9.175
  421    HE   ARG  52           HE       ARG  52   8.755  -0.524  10.011
  422   1HH1  ARG  52          HH21      ARG  52   7.240   1.816   7.918
  423   2HH1  ARG  52          HH22      ARG  52   8.305   3.104   8.374
  424   1HH2  ARG  52          HH11      ARG  52  10.160   1.165  10.616
  425   2HH2  ARG  52          HH12      ARG  52   9.965   2.734   9.908
  426    H    LYS  53           HN       LYS  53   5.603  -2.609   3.780
  427    HA   LYS  53           HA       LYS  53   7.576  -1.348   2.151
  428   1HB   LYS  53          HB2       LYS  53   6.358  -3.853   2.237
  429   2HB   LYS  53          HB1       LYS  53   5.794  -3.156   0.724
  430   1HG   LYS  53          HG2       LYS  53   8.625  -2.731   1.075
  431   2HG   LYS  53          HG1       LYS  53   8.210  -4.443   1.181
  432   1HD   LYS  53          HD1       LYS  53   6.714  -3.497  -0.960
  433   2HD   LYS  53          HD2       LYS  53   8.279  -2.697  -1.127
  434   1HE   LYS  53          HE1       LYS  53   8.231  -4.827  -2.325
  435   2HE   LYS  53          HE2       LYS  53   9.409  -4.851  -1.012
  436   1HZ   LYS  53          HZ1       LYS  53   8.416  -6.701  -0.338
  437   2HZ   LYS  53          HZ2       LYS  53   7.126  -6.504  -1.414
  438   3HZ   LYS  53          HZ3       LYS  53   7.080  -5.766   0.107
  439    H    LEU  54           HN       LEU  54   4.091  -1.332   2.348
  440    HA   LEU  54           HA       LEU  54   3.589  -0.012  -0.123
  441   1HB   LEU  54          HB1       LEU  54   2.075  -1.014   2.101
  442   2HB   LEU  54          HB2       LEU  54   1.535   0.606   1.715
  443    HG   LEU  54           HG       LEU  54   0.210  -1.118   0.570
  444   1HD1  LEU  54          HD11      LEU  54  -0.025   0.689  -0.739
  445   2HD1  LEU  54          HD12      LEU  54   0.986  -0.220  -1.864
  446   3HD1  LEU  54          HD13      LEU  54   1.711   0.992  -0.808
  447   1HD2  LEU  54          HD21      LEU  54   2.812  -2.190  -0.008
  448   2HD2  LEU  54          HD22      LEU  54   1.898  -1.945  -1.496
  449   3HD2  LEU  54          HD23      LEU  54   1.224  -2.932  -0.199
  450    H    GLN  55           HN       GLN  55   4.900   1.035   2.813
  451    HA   GLN  55           HA       GLN  55   3.897   3.670   2.935
  452   1HB   GLN  55          HB1       GLN  55   6.221   2.231   4.127
  453   2HB   GLN  55          HB2       GLN  55   6.205   3.987   4.196
  454   1HG   GLN  55          HG2       GLN  55   4.080   2.150   5.279
  455   2HG   GLN  55          HG1       GLN  55   5.291   3.017   6.223
  456   1HE2  GLN  55          HE22      GLN  55   5.304   5.461   5.671
  457   2HE2  GLN  55          HE21      GLN  55   3.751   6.217   5.671
  458    H    GLU  56           HN       GLU  56   6.041   5.359   3.066
  459    HA   GLU  56           HA       GLU  56   6.524   5.885   0.286
  460   1HB   GLU  56          HB1       GLU  56   6.629   7.347   2.756
  461   2HB   GLU  56          HB2       GLU  56   8.137   7.575   1.882
  462   1HG   GLU  56          HG2       GLU  56   6.589   9.317   1.301
  463   2HG   GLU  56          HG1       GLU  56   6.865   8.278  -0.097
  464    H    GLU  57           HN       GLU  57   7.687   3.788  -0.018
  465    HA   GLU  57           HA       GLU  57  10.319   3.517   1.090
  466   1HB   GLU  57          HB2       GLU  57  10.515   1.596  -0.458
  467   2HB   GLU  57          HB1       GLU  57   9.057   1.528   0.522
  468   1HG   GLU  57          HG1       GLU  57   7.685   2.139  -1.293
  469   2HG   GLU  57          HG2       GLU  57   9.070   2.626  -2.270
  470    H    LYS  58           HN       LYS  58  12.275   3.915   0.143
  471    HA   LYS  58           HA       LYS  58  12.314   5.873  -1.950
  472   1HB   LYS  58          HB2       LYS  58  13.853   5.748   0.110
  473   2HB   LYS  58          HB1       LYS  58  14.735   4.518  -0.786
  474   1HG   LYS  58          HG1       LYS  58  14.736   6.369  -2.660
  475   2HG   LYS  58          HG2       LYS  58  14.521   7.440  -1.274
  476   1HD   LYS  58          HD1       LYS  58  16.544   6.708  -0.279
  477   2HD   LYS  58          HD2       LYS  58  16.689   5.357  -1.405
  478   1HE   LYS  58          HE2       LYS  58  18.136   6.774  -2.420
  479   2HE   LYS  58          HE1       LYS  58  16.648   7.358  -3.167
  480   1HZ   LYS  58          HZ1       LYS  58  18.030   8.537  -0.818
  481   2HZ   LYS  58          HZ2       LYS  58  16.531   9.057  -1.407
  482   3HZ   LYS  58          HZ3       LYS  58  17.916   9.208  -2.366
  483    H    TYR  59           HN       TYR  59  13.649   5.677  -3.884
  484    HA   TYR  59           HA       TYR  59  13.283   3.070  -5.118
  485   1HB   TYR  59          HB2       TYR  59  14.542   5.187  -6.727
  486   2HB   TYR  59          HB1       TYR  59  13.152   4.171  -7.091
  487    HD1  TYR  59           HD1      TYR  59  14.252   7.426  -6.109
  488    HD2  TYR  59           HD2      TYR  59  10.913   4.789  -6.021
  489    HE1  TYR  59           HE1      TYR  59  12.759   9.339  -5.706
  490    HE2  TYR  59           HE2      TYR  59   9.412   6.696  -5.618
  491    HH   TYR  59           HH       TYR  59   9.382   9.124  -5.972
  492    H    GLY  60           HN       GLY  60  15.013   2.252  -3.580
  493   1HA   GLY  60          HA1       GLY  60  17.502   2.105  -5.062
  494   2HA   GLY  60          HA2       GLY  60  17.633   2.836  -3.471
  495    H    SER  61           HN       SER  61  15.229   0.815  -2.941
  496    HA   SER  61           HA       SER  61  16.990  -1.233  -1.868
  497   1HB   SER  61          HB1       SER  61  15.131  -0.201  -0.514
  498   2HB   SER  61          HB2       SER  61  13.986  -1.021  -1.575
  499    HG   SER  61           HG       SER  61  15.310  -1.998   0.535
  500    H    CYS  62           HN       CYS  62  14.024  -1.154  -3.852
  501    HA   CYS  62           HA       CYS  62  14.439  -3.896  -4.685
  502   1HB   CYS  62          HB2       CYS  62  12.308  -1.837  -5.196
  503   2HB   CYS  62          HB1       CYS  62  12.374  -3.317  -6.146
  504    HG   CYS  62           HG       CYS  62  10.817  -3.399  -3.904
  505    H    HIS  63           HN       HIS  63  13.711  -4.019  -7.262
  506    HA   HIS  63           HA       HIS  63  16.059  -3.044  -8.611
  507   1HB   HIS  63          HB1       HIS  63  14.075  -5.099  -9.039
  508   2HB   HIS  63          HB2       HIS  63  14.310  -4.158 -10.510
  509    HD2  HIS  63           HD2      HIS  63  16.744  -5.929  -7.939
  510    HE1  HIS  63           HE1      HIS  63  18.179  -6.381 -11.895
  511    HE2  HIS  63           HE2      HIS  63  18.590  -6.941  -9.456
  512    H    PHE  64           HN       PHE  64  15.067  -2.618 -11.197
  513    HA   PHE  64           HA       PHE  64  14.518   0.123 -11.148
  514   1HB   PHE  64          HB2       PHE  64  14.302  -1.983 -13.285
  515   2HB   PHE  64          HB1       PHE  64  13.801  -0.325 -13.602
  516    HD1  PHE  64           HD1      PHE  64  16.552  -2.597 -13.385
  517    HD2  PHE  64           HD2      PHE  64  15.492   1.522 -13.288
  518    HE1  PHE  64           HE1      PHE  64  18.885  -1.989 -13.884
  519    HE2  PHE  64           HE2      PHE  64  17.821   2.138 -13.786
  520    HZ   PHE  64           HZ       PHE  64  19.520   0.382 -14.085
  521    H    THR  65           HN       THR  65  12.733   1.098 -10.472
  522    HA   THR  65           HA       THR  65  10.168  -0.298 -10.650
  523    HB   THR  65           HB       THR  65   9.552   1.947  -9.310
  524    HG1  THR  65           HG1      THR  65  12.086   1.538  -8.256
  525   1HG2  THR  65          HG21      THR  65  11.049  -0.181  -7.839
  526   2HG2  THR  65          HG22      THR  65   9.455  -0.476  -8.531
  527   3HG2  THR  65          HG23      THR  65   9.667   0.777  -7.308
  528    H    ASN  66           HN       ASN  66   8.528   2.022 -10.576
  529    HA   ASN  66           HA       ASN  66   8.193   2.496 -13.335
  530   1HB   ASN  66          HB2       ASN  66   6.991   4.515 -11.584
  531   2HB   ASN  66          HB1       ASN  66   6.229   3.405 -12.720
  532   1HD2  ASN  66          HD22      ASN  66   6.456   4.230  -9.556
  533   2HD2  ASN  66          HD21      ASN  66   5.941   2.749  -8.830
  534    HA   PRO  67           HA       PRO  67   6.848   4.611 -14.078
  535   1HB   PRO  67          HB2       PRO  67   7.743   6.085 -16.402
  536   2HB   PRO  67          HB1       PRO  67   6.546   6.551 -15.193
  537   1HG   PRO  67          HG2       PRO  67   8.964   7.784 -15.472
  538   2HG   PRO  67          HG1       PRO  67   8.074   7.707 -13.941
  539   1HD   PRO  67          HD2       PRO  67  10.381   6.040 -14.879
  540   2HD   PRO  67          HD1       PRO  67  10.073   6.738 -13.274
  541    H    SER  68           HN       SER  68   9.336   2.876 -14.492
  542    HA   SER  68           HA       SER  68   9.168   2.111 -17.261
  543   1HB   SER  68          HB2       SER  68  10.874   1.467 -14.960
  544   2HB   SER  68          HB1       SER  68  10.553   0.088 -16.013
  545    HG   SER  68           HG       SER  68  12.411   1.597 -16.495
  546    H    LYS  69           HN       LYS  69   8.710   0.234 -14.263
  547    HA   LYS  69           HA       LYS  69   6.956  -1.599 -15.681
  548   1HB   LYS  69          HB2       LYS  69   8.749  -2.321 -14.025
  549   2HB   LYS  69          HB1       LYS  69   7.705  -1.687 -12.760
  550   1HG   LYS  69          HG2       LYS  69   6.123  -3.336 -13.049
  551   2HG   LYS  69          HG1       LYS  69   6.621  -3.668 -14.710
  552   1HD   LYS  69          HD2       LYS  69   8.881  -4.332 -13.443
  553   2HD   LYS  69          HD1       LYS  69   7.725  -4.674 -12.155
  554   1HE   LYS  69          HE2       LYS  69   6.803  -5.688 -14.700
  555   2HE   LYS  69          HE1       LYS  69   8.395  -6.327 -14.293
  556   1HZ   LYS  69          HZ1       LYS  69   6.668  -7.746 -13.421
  557   2HZ   LYS  69          HZ2       LYS  69   5.973  -6.453 -12.578
  558   3HZ   LYS  69          HZ3       LYS  69   7.505  -7.022 -12.141
  559    H    ARG  70           HN       ARG  70   4.800  -1.583 -15.579
  560    HA   ARG  70           HA       ARG  70   3.483   0.510 -14.081
  561   1HB   ARG  70          HB2       ARG  70   1.404  -0.647 -15.167
  562   2HB   ARG  70          HB1       ARG  70   2.500   0.301 -16.161
  563   1HG   ARG  70          HG2       ARG  70   3.458  -2.368 -16.109
  564   2HG   ARG  70          HG1       ARG  70   1.729  -2.406 -16.463
  565   1HD   ARG  70          HD2       ARG  70   2.876  -0.287 -17.955
  566   2HD   ARG  70          HD1       ARG  70   3.886  -1.714 -18.184
  567    HE   ARG  70           HE       ARG  70   1.202  -1.312 -19.140
  568   1HH1  ARG  70          HH11      ARG  70   3.629  -3.667 -18.298
  569   2HH1  ARG  70          HH12      ARG  70   2.955  -4.910 -19.298
  570   1HH2  ARG  70          HH21      ARG  70   0.308  -2.942 -20.459
  571   2HH2  ARG  70          HH22      ARG  70   1.067  -4.498 -20.526
  572    H    GLU  71           HN       GLU  71   3.699  -0.063 -11.930
  573    HA   GLU  71           HA       GLU  71   2.699  -2.647 -11.043
  574   1HB   GLU  71          HB2       GLU  71   4.162  -0.382  -9.732
  575   2HB   GLU  71          HB1       GLU  71   3.320  -1.566  -8.742
  576   1HG   GLU  71          HG2       GLU  71   4.842  -2.997 -10.638
  577   2HG   GLU  71          HG1       GLU  71   5.883  -1.745  -9.963
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1 -10.408 -11.646   5.318
    2   2H    MET   1          HT2       MET   1  -9.996 -12.467   6.767
    3   3H    MET   1          HT3       MET   1  -9.915 -13.288   5.262
    4    HA   MET   1           HA       MET   1  -7.796 -12.440   6.345
    5   1HB   MET   1          HB2       MET   1  -6.989 -11.840   3.979
    6   2HB   MET   1          HB1       MET   1  -7.701 -13.431   4.216
    7   1HG   MET   1          HG2       MET   1  -9.811 -11.703   3.534
    8   2HG   MET   1          HG1       MET   1  -8.483 -11.349   2.429
    9   1HE   MET   1          HE1       MET   1 -11.321 -13.840   0.894
   10   2HE   MET   1          HE2       MET   1 -11.179 -12.210   1.551
   11   3HE   MET   1          HE3       MET   1 -11.642 -13.548   2.603
   12    H    TYR   2           HN       TYR   2  -6.294 -10.539   5.366
   13    HA   TYR   2           HA       TYR   2  -7.648  -8.051   6.159
   14   1HB   TYR   2          HB2       TYR   2  -4.834  -9.036   6.488
   15   2HB   TYR   2          HB1       TYR   2  -5.156  -7.306   6.474
   16    HD1  TYR   2           HD1      TYR   2  -7.747  -7.213   7.931
   17    HD2  TYR   2           HD2      TYR   2  -4.215  -9.462   8.697
   18    HE1  TYR   2           HE1      TYR   2  -8.326  -7.298  10.319
   19    HE2  TYR   2           HE2      TYR   2  -4.786  -9.552  11.087
   20    HH   TYR   2           HH       TYR   2  -6.979  -7.588  12.532
   21    H    ILE   3           HN       ILE   3  -6.973  -6.074   5.133
   22    HA   ILE   3           HA       ILE   3  -5.973  -6.406   2.380
   23    HB   ILE   3           HB       ILE   3  -7.530  -4.558   1.722
   24   1HG1  ILE   3          HG11      ILE   3  -9.135  -5.167   4.180
   25   2HG1  ILE   3          HG12      ILE   3  -7.848  -3.967   4.259
   26   1HG2  ILE   3          HG21      ILE   3  -7.979  -7.043   1.417
   27   2HG2  ILE   3          HG22      ILE   3  -9.364  -5.956   1.309
   28   3HG2  ILE   3          HG23      ILE   3  -9.090  -6.893   2.780
   29   1HD1  ILE   3          HD11      ILE   3 -10.186  -3.121   3.804
   30   2HD1  ILE   3          HD12      ILE   3 -10.022  -3.841   2.202
   31   3HD1  ILE   3          HD13      ILE   3  -8.913  -2.567   2.714
   32    H    ILE   4           HN       ILE   4  -5.055  -4.399   1.473
   33    HA   ILE   4           HA       ILE   4  -4.164  -2.515   3.554
   34    HB   ILE   4           HB       ILE   4  -2.533  -3.958   1.508
   35   1HG1  ILE   4          HG12      ILE   4  -0.955  -3.512   3.671
   36   2HG1  ILE   4          HG11      ILE   4  -2.544  -3.475   4.428
   37   1HG2  ILE   4          HG21      ILE   4  -1.591  -2.058   0.800
   38   2HG2  ILE   4          HG22      ILE   4  -0.805  -2.027   2.381
   39   3HG2  ILE   4          HG23      ILE   4  -2.290  -1.111   2.115
   40   1HD1  ILE   4          HD11      ILE   4  -2.958  -5.681   3.983
   41   2HD1  ILE   4          HD12      ILE   4  -1.215  -5.701   4.246
   42   3HD1  ILE   4          HD13      ILE   4  -1.859  -5.723   2.605
   43    H    PHE   5           HN       PHE   5  -3.860  -0.349   2.875
   44    HA   PHE   5           HA       PHE   5  -4.753   0.353   0.183
   45   1HB   PHE   5          HB1       PHE   5  -6.138   2.205   1.624
   46   2HB   PHE   5          HB2       PHE   5  -6.834   0.732   0.962
   47    HD1  PHE   5           HD1      PHE   5  -5.838   2.488   3.966
   48    HD2  PHE   5           HD2      PHE   5  -7.267  -1.201   2.402
   49    HE1  PHE   5           HE1      PHE   5  -6.499   1.791   6.227
   50    HE2  PHE   5           HE2      PHE   5  -7.930  -1.906   4.665
   51    HZ   PHE   5           HZ       PHE   5  -7.543  -0.405   6.579
   52    H    ARG   6           HN       ARG   6  -5.035   3.117   0.601
   53    HA   ARG   6           HA       ARG   6  -2.501   3.965   1.799
   54   1HB   ARG   6          HB2       ARG   6  -3.263   4.213  -1.091
   55   2HB   ARG   6          HB1       ARG   6  -2.223   5.423  -0.351
   56   1HG   ARG   6          HG1       ARG   6  -0.450   4.089  -0.433
   57   2HG   ARG   6          HG2       ARG   6  -1.347   2.723   0.234
   58   1HD   ARG   6          HD1       ARG   6  -0.509   2.223  -2.003
   59   2HD   ARG   6          HD2       ARG   6  -2.273   2.242  -1.968
   60    HE   ARG   6           HE       ARG   6  -2.206   4.376  -3.080
   61   1HH1  ARG   6          HH21      ARG   6   0.818   2.648  -2.945
   62   2HH1  ARG   6          HH22      ARG   6   1.514   3.504  -4.280
   63   1HH2  ARG   6          HH12      ARG   6  -1.297   5.507  -4.837
   64   2HH2  ARG   6          HH11      ARG   6   0.312   5.129  -5.355
   65    H    CYS   7           HN       CYS   7  -2.620   5.865   2.822
   66    HA   CYS   7           HA       CYS   7  -5.124   7.268   2.899
   67   1HB   CYS   7          HB2       CYS   7  -3.509   6.872   4.864
   68   2HB   CYS   7          HB1       CYS   7  -2.562   8.192   4.183
   69    HG   CYS   7           HG       CYS   7  -4.349   9.845   4.833
   70    H    ASP   8           HN       ASP   8  -5.215   9.659   2.613
   71    HA   ASP   8           HA       ASP   8  -4.370  10.385   0.046
   72   1HB   ASP   8          HB1       ASP   8  -5.875  11.601   2.212
   73   2HB   ASP   8          HB2       ASP   8  -4.870  12.788   1.386
   74    H    CYS   9           HN       CYS   9  -2.871  10.765   3.150
   75    HA   CYS   9           HA       CYS   9  -0.915  12.698   2.339
   76   1HB   CYS   9          HB1       CYS   9  -1.627  12.317   4.710
   77   2HB   CYS   9          HB2       CYS   9  -0.816  10.755   4.655
   78    HG   CYS   9           HG       CYS   9   1.457  12.063   4.377
   79    H    GLY  10           HN       GLY  10  -1.424   9.728   1.238
   80   1HA   GLY  10          HA2       GLY  10  -0.060   8.441  -0.148
   81   2HA   GLY  10          HA1       GLY  10   1.334   9.354   0.418
   82    H    ARG  11           HN       ARG  11  -0.743   8.219   2.858
   83    HA   ARG  11           HA       ARG  11   1.326   6.470   3.868
   84   1HB   ARG  11          HB1       ARG  11  -1.390   6.729   5.109
   85   2HB   ARG  11          HB2       ARG  11   0.162   6.453   5.886
   86   1HG   ARG  11          HG2       ARG  11   0.662   8.863   4.906
   87   2HG   ARG  11          HG1       ARG  11  -1.096   8.984   4.999
   88   1HD   ARG  11          HD2       ARG  11   0.903   8.647   7.188
   89   2HD   ARG  11          HD1       ARG  11  -0.457   9.762   7.074
   90    HE   ARG  11           HE       ARG  11  -0.647   6.899   7.729
   91   1HH1  ARG  11          HH11      ARG  11  -1.994  10.114   7.687
   92   2HH1  ARG  11          HH12      ARG  11  -3.358   9.694   8.667
   93   1HH2  ARG  11          HH21      ARG  11  -2.439   6.338   9.021
   94   2HH2  ARG  11          HH22      ARG  11  -3.610   7.547   9.426
   95    H    ALA  12           HN       ALA  12  -0.092   4.524   5.173
   96    HA   ALA  12           HA       ALA  12  -1.806   3.092   3.366
   97   1HB   ALA  12          HB1       ALA  12  -0.121   2.133   2.229
   98   2HB   ALA  12          HB2       ALA  12  -0.004   1.094   3.649
   99   3HB   ALA  12          HB3       ALA  12   1.067   2.486   3.485
  100    H    LEU  13           HN       LEU  13  -2.916   1.398   4.403
  101    HA   LEU  13           HA       LEU  13  -2.117   0.738   7.135
  102   1HB   LEU  13          HB1       LEU  13  -4.541   2.268   6.383
  103   2HB   LEU  13          HB2       LEU  13  -4.738   1.026   7.603
  104    HG   LEU  13           HG       LEU  13  -2.433   2.684   8.173
  105   1HD1  LEU  13          HD21      LEU  13  -3.490   4.770   8.566
  106   2HD1  LEU  13          HD22      LEU  13  -5.077   4.118   8.158
  107   3HD1  LEU  13          HD23      LEU  13  -3.858   4.318   6.902
  108   1HD2  LEU  13          HD11      LEU  13  -3.937   3.037  10.270
  109   2HD2  LEU  13          HD12      LEU  13  -3.226   1.455   9.951
  110   3HD2  LEU  13          HD13      LEU  13  -4.916   1.760   9.547
  111    H    TYR  14           HN       TYR  14  -4.108  -0.761   8.024
  112    HA   TYR  14           HA       TYR  14  -4.778  -2.702   5.922
  113   1HB   TYR  14          HB2       TYR  14  -4.104  -4.556   7.412
  114   2HB   TYR  14          HB1       TYR  14  -2.743  -3.535   6.961
  115    HD1  TYR  14           HD1      TYR  14  -4.801  -4.757   9.688
  116    HD2  TYR  14           HD2      TYR  14  -1.753  -1.986   8.624
  117    HE1  TYR  14           HE1      TYR  14  -4.244  -4.467  12.065
  118    HE2  TYR  14           HE2      TYR  14  -1.186  -1.690  10.999
  119    HH   TYR  14           HH       TYR  14  -1.447  -2.640  13.089
  120    H    SER  15           HN       SER  15  -6.689  -3.806   6.220
  121    HA   SER  15           HA       SER  15  -8.120  -3.665   8.725
  122   1HB   SER  15          HB1       SER  15  -8.617  -1.487   7.479
  123   2HB   SER  15          HB2       SER  15  -9.475  -2.479   6.300
  124    HG   SER  15           HG       SER  15 -11.084  -2.551   7.632
  125    H    ARG  16           HN       ARG  16 -10.599  -4.458   8.007
  126    HA   ARG  16           HA       ARG  16 -10.130  -7.148   7.125
  127   1HB   ARG  16          HB1       ARG  16 -12.424  -7.565   7.634
  128   2HB   ARG  16          HB2       ARG  16 -11.775  -6.537   8.905
  129   1HG   ARG  16          HG1       ARG  16 -12.830  -4.834   6.923
  130   2HG   ARG  16          HG2       ARG  16 -14.021  -6.104   7.216
  131   1HD   ARG  16          HD1       ARG  16 -13.244  -5.499   9.747
  132   2HD   ARG  16          HD2       ARG  16 -13.100  -3.929   8.960
  133    HE   ARG  16           HE       ARG  16 -15.387  -3.833   8.787
  134   1HH1  ARG  16          HH11      ARG  16 -14.423  -7.069   9.649
  135   2HH1  ARG  16          HH12      ARG  16 -16.038  -7.602   9.974
  136   1HH2  ARG  16          HH22      ARG  16 -17.517  -4.526   9.213
  137   2HH2  ARG  16          HH21      ARG  16 -17.798  -6.157   9.726
  138    H    GLU  17           HN       GLU  17 -11.099  -8.183   5.339
  139    HA   GLU  17           HA       GLU  17 -10.901  -6.803   2.911
  140   1HB   GLU  17          HB1       GLU  17 -10.878  -9.380   3.510
  141   2HB   GLU  17          HB2       GLU  17 -12.583  -9.263   3.099
  142   1HG   GLU  17          HG1       GLU  17 -10.697  -8.067   1.176
  143   2HG   GLU  17          HG2       GLU  17 -10.660  -9.823   1.323
  144    H    GLY  18           HN       GLY  18 -12.197  -5.173   2.322
  145   1HA   GLY  18          HA1       GLY  18 -14.573  -5.148   1.274
  146   2HA   GLY  18          HA2       GLY  18 -15.065  -5.359   2.947
  147    H    ALA  19           HN       ALA  19 -12.406  -3.556   3.247
  148    HA   ALA  19           HA       ALA  19 -13.893  -1.160   3.729
  149   1HB   ALA  19          HB1       ALA  19 -11.881  -1.992   5.042
  150   2HB   ALA  19          HB2       ALA  19 -11.925  -0.274   4.647
  151   3HB   ALA  19          HB3       ALA  19 -10.898  -1.366   3.717
  152    H    LYS  20           HN       LYS  20 -14.540   0.122   2.136
  153    HA   LYS  20           HA       LYS  20 -13.019   0.294  -0.340
  154   1HB   LYS  20          HB2       LYS  20 -15.753   1.122   0.535
  155   2HB   LYS  20          HB1       LYS  20 -15.022   1.953  -0.831
  156   1HG   LYS  20          HG2       LYS  20 -15.786   0.321  -2.117
  157   2HG   LYS  20          HG1       LYS  20 -14.613  -0.749  -1.346
  158   1HD   LYS  20          HD1       LYS  20 -16.644  -0.694   0.488
  159   2HD   LYS  20          HD2       LYS  20 -17.518  -0.617  -1.043
  160   1HE   LYS  20          HE2       LYS  20 -15.358  -2.640  -0.511
  161   2HE   LYS  20          HE1       LYS  20 -17.049  -2.932  -0.108
  162   1HZ   LYS  20          HZ1       LYS  20 -17.664  -2.807  -2.361
  163   2HZ   LYS  20          HZ2       LYS  20 -16.279  -3.779  -2.329
  164   3HZ   LYS  20          HZ3       LYS  20 -16.170  -2.167  -2.831
  165    H    THR  21           HN       THR  21 -14.113   2.383   2.296
  166    HA   THR  21           HA       THR  21 -11.895   4.192   1.725
  167    HB   THR  21           HB       THR  21 -13.655   6.086   2.290
  168    HG1  THR  21           HG1      THR  21 -15.349   4.439   2.455
  169   1HG2  THR  21          HG21      THR  21 -12.322   5.617   0.108
  170   2HG2  THR  21          HG22      THR  21 -13.708   6.709   0.094
  171   3HG2  THR  21          HG23      THR  21 -13.885   5.053  -0.488
  172    H    ARG  22           HN       ARG  22 -10.779   4.103   3.552
  173    HA   ARG  22           HA       ARG  22 -12.133   3.780   6.103
  174   1HB   ARG  22          HB1       ARG  22  -9.748   2.834   5.131
  175   2HB   ARG  22          HB2       ARG  22  -9.222   4.180   6.133
  176   1HG   ARG  22          HG2       ARG  22  -9.178   2.375   7.585
  177   2HG   ARG  22          HG1       ARG  22 -10.725   3.145   7.944
  178   1HD   ARG  22          HD2       ARG  22 -10.480   0.891   5.974
  179   2HD   ARG  22          HD1       ARG  22 -10.708   0.606   7.699
  180    HE   ARG  22           HE       ARG  22 -12.618   2.204   6.126
  181   1HH1  ARG  22          HH21      ARG  22 -11.899  -0.392   8.337
  182   2HH1  ARG  22          HH22      ARG  22 -13.563  -0.754   8.652
  183   1HH2  ARG  22          HH11      ARG  22 -14.808   1.735   6.535
  184   2HH2  ARG  22          HH12      ARG  22 -15.217   0.455   7.629
  185    H    LYS  23           HN       LYS  23 -10.272   5.129   7.745
  186    HA   LYS  23           HA       LYS  23 -10.326   7.918   6.940
  187   1HB   LYS  23          HB1       LYS  23 -12.542   7.618   7.903
  188   2HB   LYS  23          HB2       LYS  23 -11.845   6.898   9.348
  189   1HG   LYS  23          HG2       LYS  23 -10.604   9.142   9.602
  190   2HG   LYS  23          HG1       LYS  23 -11.801   9.753   8.457
  191   1HD   LYS  23          HD2       LYS  23 -12.740   8.197  10.817
  192   2HD   LYS  23          HD1       LYS  23 -12.223   9.868  11.053
  193   1HE   LYS  23          HE1       LYS  23 -14.002   9.464   8.760
  194   2HE   LYS  23          HE2       LYS  23 -14.733   9.091  10.321
  195   1HZ   LYS  23          HZ1       LYS  23 -13.273  11.619   9.863
  196   2HZ   LYS  23          HZ2       LYS  23 -14.394  11.255  11.077
  197   3HZ   LYS  23          HZ3       LYS  23 -14.914  11.464   9.481
  198    H    CYS  24           HN       CYS  24  -8.920   9.220   8.077
  199    HA   CYS  24           HA       CYS  24  -6.948   7.784   9.688
  200   1HB   CYS  24          HB1       CYS  24  -5.626   8.906   8.241
  201   2HB   CYS  24          HB2       CYS  24  -6.887  10.059   7.832
  202    HG   CYS  24           HG       CYS  24  -4.619  10.901   9.272
  203    H    VAL  25           HN       VAL  25  -6.873   8.023  11.818
  204    HA   VAL  25           HA       VAL  25  -8.733   9.665  13.194
  205    HB   VAL  25           HB       VAL  25  -6.344   8.553  14.598
  206   1HG1  VAL  25          HG11      VAL  25  -8.868   9.602  15.319
  207   2HG1  VAL  25          HG12      VAL  25  -7.610   8.961  16.374
  208   3HG1  VAL  25          HG13      VAL  25  -8.865   7.892  15.749
  209   1HG2  VAL  25          HG21      VAL  25  -7.677   6.993  12.766
  210   2HG2  VAL  25          HG22      VAL  25  -8.498   6.620  14.283
  211   3HG2  VAL  25          HG23      VAL  25  -6.754   6.403  14.149
  212    H    CYS  26           HN       CYS  26  -5.537  10.197  12.043
  213    HA   CYS  26           HA       CYS  26  -4.772  12.235  13.873
  214   1HB   CYS  26          HB2       CYS  26  -3.300  10.869  12.229
  215   2HB   CYS  26          HB1       CYS  26  -3.767  12.083  11.044
  216    HG   CYS  26           HG       CYS  26  -1.683  12.437  13.182
  217    H    GLY  27           HN       GLY  27  -6.777  12.158  11.045
  218   1HA   GLY  27          HA1       GLY  27  -8.375  14.123  11.108
  219   2HA   GLY  27          HA2       GLY  27  -6.920  15.106  11.068
  220    H    ARG  28           HN       ARG  28  -7.935  12.208   9.244
  221    HA   ARG  28           HA       ARG  28  -8.245  13.689   6.788
  222   1HB   ARG  28          HB1       ARG  28  -6.177  11.540   6.613
  223   2HB   ARG  28          HB2       ARG  28  -6.413  12.945   5.591
  224   1HG   ARG  28          HG2       ARG  28  -5.511  14.363   7.414
  225   2HG   ARG  28          HG1       ARG  28  -5.153  12.890   8.318
  226   1HD   ARG  28          HD1       ARG  28  -3.184  13.705   7.123
  227   2HD   ARG  28          HD2       ARG  28  -3.694  12.127   6.526
  228    HE   ARG  28           HE       ARG  28  -4.148  13.077   4.490
  229   1HH1  ARG  28          HH22      ARG  28  -3.754  15.593   6.868
  230   2HH1  ARG  28          HH21      ARG  28  -3.770  16.874   5.703
  231   1HH2  ARG  28          HH11      ARG  28  -4.170  14.756   2.949
  232   2HH2  ARG  28          HH12      ARG  28  -4.005  16.398   3.475
  233    H    THR  29           HN       THR  29  -7.884  11.567   5.009
  234    HA   THR  29           HA       THR  29  -9.621   9.425   5.998
  235    HB   THR  29           HB       THR  29 -10.101  10.928   3.417
  236    HG1  THR  29           HG1      THR  29 -11.425  12.118   4.505
  237   1HG2  THR  29          HG21      THR  29 -12.059   9.048   4.626
  238   2HG2  THR  29          HG22      THR  29 -10.737   8.413   3.647
  239   3HG2  THR  29          HG23      THR  29 -11.875   9.568   2.951
  240    H    VAL  30           HN       VAL  30  -9.158   7.435   5.182
  241    HA   VAL  30           HA       VAL  30  -6.845   7.294   3.384
  242    HB   VAL  30           HB       VAL  30  -7.952   5.005   4.990
  243   1HG1  VAL  30          HG21      VAL  30  -6.264   4.747   3.057
  244   2HG1  VAL  30          HG22      VAL  30  -5.911   3.957   4.594
  245   3HG1  VAL  30          HG23      VAL  30  -5.107   5.470   4.174
  246   1HG2  VAL  30          HG11      VAL  30  -7.513   6.469   6.712
  247   2HG2  VAL  30          HG12      VAL  30  -6.219   7.280   5.830
  248   3HG2  VAL  30          HG13      VAL  30  -5.947   5.681   6.523
  249    H    ASN  31           HN       ASN  31  -7.310   7.014   1.336
  250    HA   ASN  31           HA       ASN  31  -9.737   5.575   0.556
  251   1HB   ASN  31          HB1       ASN  31  -8.599   7.877  -0.426
  252   2HB   ASN  31          HB2       ASN  31  -8.061   6.669  -1.591
  253   1HD2  ASN  31          HD21      ASN  31  -9.500   5.783  -2.984
  254   2HD2  ASN  31          HD22      ASN  31 -11.153   6.270  -3.099
  255    H    VAL  32           HN       VAL  32  -9.633   3.480   0.042
  256    HA   VAL  32           HA       VAL  32  -7.165   2.102  -0.203
  257    HB   VAL  32           HB       VAL  32  -8.364   0.128  -0.497
  258   1HG1  VAL  32          HG11      VAL  32 -10.579   0.755   0.962
  259   2HG1  VAL  32          HG12      VAL  32  -9.516   2.119   1.309
  260   3HG1  VAL  32          HG13      VAL  32  -8.970   0.472   1.629
  261   1HG2  VAL  32          HG21      VAL  32 -10.664   1.784  -1.518
  262   2HG2  VAL  32          HG22      VAL  32 -10.757   0.056  -1.162
  263   3HG2  VAL  32          HG23      VAL  32  -9.678   0.641  -2.430
  264    H    LYS  33           HN       LYS  33  -7.329   0.394  -2.305
  265    HA   LYS  33           HA       LYS  33  -6.222   1.864  -4.397
  266   1HB   LYS  33          HB2       LYS  33  -6.588  -0.841  -3.788
  267   2HB   LYS  33          HB1       LYS  33  -7.395  -0.615  -5.334
  268   1HG   LYS  33          HG2       LYS  33  -4.883   0.723  -5.413
  269   2HG   LYS  33          HG1       LYS  33  -4.639  -0.923  -4.825
  270   1HD   LYS  33          HD1       LYS  33  -6.439  -0.584  -7.151
  271   2HD   LYS  33          HD2       LYS  33  -4.717  -0.308  -7.425
  272   1HE   LYS  33          HE2       LYS  33  -5.168  -2.603  -7.893
  273   2HE   LYS  33          HE1       LYS  33  -4.271  -2.528  -6.377
  274   1HZ   LYS  33          HZ1       LYS  33  -6.068  -4.076  -6.164
  275   2HZ   LYS  33          HZ2       LYS  33  -7.197  -2.928  -6.681
  276   3HZ   LYS  33          HZ3       LYS  33  -6.408  -2.729  -5.198
  277    H    ASP  34           HN       ASP  34  -7.192   1.304  -6.776
  278    HA   ASP  34           HA       ASP  34  -9.673   2.820  -6.861
  279   1HB   ASP  34          HB1       ASP  34  -7.429   2.325  -8.676
  280   2HB   ASP  34          HB2       ASP  34  -8.994   2.251  -9.478
  281    H    ARG  35           HN       ARG  35  -8.413  -0.307  -7.945
  282    HA   ARG  35           HA       ARG  35 -11.041  -1.159  -8.826
  283   1HB   ARG  35          HB2       ARG  35  -8.359  -2.544  -8.751
  284   2HB   ARG  35          HB1       ARG  35  -9.834  -3.332  -9.294
  285   1HG   ARG  35          HG1       ARG  35  -8.841  -0.782 -10.526
  286   2HG   ARG  35          HG2       ARG  35  -8.306  -2.371 -11.076
  287   1HD   ARG  35          HD1       ARG  35 -11.052  -2.618 -10.962
  288   2HD   ARG  35          HD2       ARG  35 -10.811  -0.976 -11.557
  289    HE   ARG  35           HE       ARG  35  -9.559  -3.316 -12.841
  290   1HH1  ARG  35          HH11      ARG  35 -11.359  -0.335 -12.996
  291   2HH1  ARG  35          HH12      ARG  35 -11.405  -0.303 -14.727
  292   1HH2  ARG  35          HH21      ARG  35  -9.616  -3.282 -15.119
  293   2HH2  ARG  35          HH22      ARG  35 -10.415  -1.979 -15.934
  294    H    ARG  36           HN       ARG  36  -9.273  -3.676  -7.387
  295    HA   ARG  36           HA       ARG  36 -11.318  -4.093  -5.416
  296   1HB   ARG  36          HB2       ARG  36  -8.748  -5.641  -5.522
  297   2HB   ARG  36          HB1       ARG  36 -10.352  -6.192  -5.057
  298   1HG   ARG  36          HG2       ARG  36 -10.968  -5.719  -7.525
  299   2HG   ARG  36          HG1       ARG  36  -9.223  -5.761  -7.790
  300   1HD   ARG  36          HD1       ARG  36  -9.407  -7.997  -6.414
  301   2HD   ARG  36          HD2       ARG  36 -11.078  -7.943  -6.974
  302    HE   ARG  36           HE       ARG  36  -8.779  -8.599  -8.520
  303   1HH1  ARG  36          HH12      ARG  36 -11.922  -7.099  -8.693
  304   2HH1  ARG  36          HH11      ARG  36 -12.129  -7.432 -10.380
  305   1HH2  ARG  36          HH21      ARG  36  -9.047  -9.041 -10.741
  306   2HH2  ARG  36          HH22      ARG  36 -10.496  -8.535 -11.544
  307    H    ILE  37           HN       ILE  37  -8.007  -4.726  -4.545
  308    HA   ILE  37           HA       ILE  37  -7.805  -2.455  -2.753
  309    HB   ILE  37           HB       ILE  37  -8.735  -5.052  -1.827
  310   1HG1  ILE  37          HG12      ILE  37  -9.630  -2.679  -1.403
  311   2HG1  ILE  37          HG11      ILE  37  -9.606  -3.797  -0.044
  312   1HG2  ILE  37          HG21      ILE  37  -6.419  -3.893  -0.286
  313   2HG2  ILE  37          HG22      ILE  37  -6.303  -5.308  -1.334
  314   3HG2  ILE  37          HG23      ILE  37  -7.342  -5.348   0.090
  315   1HD1  ILE  37          HD11      ILE  37  -8.876  -1.546   0.572
  316   2HD1  ILE  37          HD12      ILE  37  -7.540  -1.677  -0.574
  317   3HD1  ILE  37          HD13      ILE  37  -7.612  -2.751   0.823
  318    H    PHE  38           HN       PHE  38  -5.700  -2.212  -1.868
  319    HA   PHE  38           HA       PHE  38  -3.650  -3.567  -3.437
  320   1HB   PHE  38          HB1       PHE  38  -3.878  -0.972  -2.839
  321   2HB   PHE  38          HB2       PHE  38  -2.953  -1.478  -1.429
  322    HD1  PHE  38           HD1      PHE  38  -2.863  -0.729  -4.947
  323    HD2  PHE  38           HD2      PHE  38  -0.724  -2.552  -1.751
  324    HE1  PHE  38           HE1      PHE  38  -0.793  -0.616  -6.272
  325    HE2  PHE  38           HE2      PHE  38   1.349  -2.443  -3.070
  326    HZ   PHE  38           HZ       PHE  38   1.317  -1.473  -5.334
  327    H    GLY  39           HN       GLY  39  -1.892  -4.652  -2.496
  328   1HA   GLY  39          HA1       GLY  39  -1.015  -6.227  -1.070
  329   2HA   GLY  39          HA2       GLY  39  -1.240  -4.971   0.136
  330    H    ARG  40           HN       ARG  40  -2.533  -7.902  -1.237
  331    HA   ARG  40           HA       ARG  40  -4.715  -7.958   0.703
  332   1HB   ARG  40          HB1       ARG  40  -4.965  -8.691  -1.740
  333   2HB   ARG  40          HB2       ARG  40  -4.033 -10.107  -1.283
  334   1HG   ARG  40          HG2       ARG  40  -6.364 -10.651  -1.232
  335   2HG   ARG  40          HG1       ARG  40  -5.734 -10.648   0.416
  336   1HD   ARG  40          HD1       ARG  40  -7.003  -8.897   1.039
  337   2HD   ARG  40          HD2       ARG  40  -6.819  -8.080  -0.512
  338    HE   ARG  40           HE       ARG  40  -8.888  -9.982   0.231
  339   1HH1  ARG  40          HH11      ARG  40  -7.349  -8.126  -2.286
  340   2HH1  ARG  40          HH12      ARG  40  -8.696  -8.238  -3.369
  341   1HH2  ARG  40          HH22      ARG  40 -10.665 -10.133  -1.189
  342   2HH2  ARG  40          HH21      ARG  40 -10.581  -9.379  -2.744
  343    H    ALA  41           HN       ALA  41  -3.621  -8.212   2.619
  344    HA   ALA  41           HA       ALA  41  -1.763 -10.438   2.902
  345   1HB   ALA  41          HB1       ALA  41  -0.986  -8.413   3.851
  346   2HB   ALA  41          HB2       ALA  41  -1.423  -9.472   5.196
  347   3HB   ALA  41          HB3       ALA  41  -2.501  -8.156   4.718
  348    H    ASP  42           HN       ASP  42  -2.472 -12.362   3.494
  349    HA   ASP  42           HA       ASP  42  -5.056 -12.678   4.763
  350   1HB   ASP  42          HB1       ASP  42  -3.413 -14.282   3.117
  351   2HB   ASP  42          HB2       ASP  42  -3.523 -15.116   4.664
  352    H    ASP  43           HN       ASP  43  -1.657 -12.939   5.576
  353    HA   ASP  43           HA       ASP  43  -2.239 -13.890   8.266
  354   1HB   ASP  43          HB1       ASP  43   0.047 -13.928   6.509
  355   2HB   ASP  43          HB2       ASP  43   0.491 -13.206   8.053
  356    H    PHE  44           HN       PHE  44  -2.299 -12.633  10.039
  357    HA   PHE  44           HA       PHE  44  -2.552  -9.859   9.879
  358   1HB   PHE  44          HB1       PHE  44  -3.515 -10.812  11.777
  359   2HB   PHE  44          HB2       PHE  44  -2.084 -11.766  12.148
  360    HD1  PHE  44           HD1      PHE  44  -3.342  -8.272  12.059
  361    HD2  PHE  44           HD2      PHE  44  -0.557 -11.023  13.730
  362    HE1  PHE  44           HE1      PHE  44  -2.626  -6.561  13.676
  363    HE2  PHE  44           HE2      PHE  44   0.163  -9.317  15.349
  364    HZ   PHE  44           HZ       PHE  44  -0.872  -7.082  15.323
  365    H    GLU  45           HN       GLU  45   0.248 -11.877  10.598
  366    HA   GLU  45           HA       GLU  45   1.998  -9.769  11.328
  367   1HB   GLU  45          HB1       GLU  45   2.175 -12.632  10.864
  368   2HB   GLU  45          HB2       GLU  45   3.583 -11.788  10.236
  369   1HG   GLU  45          HG2       GLU  45   4.378 -11.966  12.307
  370   2HG   GLU  45          HG1       GLU  45   3.288 -10.632  12.684
  371    H    GLU  46           HN       GLU  46   1.215 -11.334   8.268
  372    HA   GLU  46           HA       GLU  46   3.209 -10.022   6.729
  373   1HB   GLU  46          HB2       GLU  46   2.020 -12.108   6.036
  374   2HB   GLU  46          HB1       GLU  46   0.566 -11.152   5.786
  375   1HG   GLU  46          HG2       GLU  46   1.285 -10.331   3.830
  376   2HG   GLU  46          HG1       GLU  46   2.947 -10.157   4.393
  377    H    ALA  47           HN       ALA  47   0.090  -9.124   7.903
  378    HA   ALA  47           HA       ALA  47  -0.610  -7.110   6.085
  379   1HB   ALA  47          HB1       ALA  47  -1.480  -6.287   8.629
  380   2HB   ALA  47          HB2       ALA  47  -1.521  -8.050   8.632
  381   3HB   ALA  47          HB3       ALA  47  -2.400  -7.149   7.397
  382    H    SER  48           HN       SER  48   1.200  -6.918   9.136
  383    HA   SER  48           HA       SER  48   1.666  -4.160   9.107
  384   1HB   SER  48          HB2       SER  48   3.075  -6.477  10.411
  385   2HB   SER  48          HB1       SER  48   3.695  -4.834  10.575
  386    HG   SER  48           HG       SER  48   0.993  -5.409  11.119
  387    H    GLU  49           HN       GLU  49   3.654  -6.828   7.843
  388    HA   GLU  49           HA       GLU  49   5.807  -5.206   7.043
  389   1HB   GLU  49          HB1       GLU  49   6.709  -7.133   6.110
  390   2HB   GLU  49          HB2       GLU  49   5.695  -7.757   7.395
  391   1HG   GLU  49          HG1       GLU  49   4.326  -8.819   5.976
  392   2HG   GLU  49          HG2       GLU  49   4.382  -7.522   4.783
  393    H    LEU  50           HN       LEU  50   2.852  -6.182   5.431
  394    HA   LEU  50           HA       LEU  50   3.600  -5.361   2.822
  395   1HB   LEU  50          HB1       LEU  50   1.286  -6.453   4.111
  396   2HB   LEU  50          HB2       LEU  50   0.799  -5.090   3.123
  397    HG   LEU  50           HG       LEU  50   1.894  -6.135   1.169
  398   1HD1  LEU  50          HD21      LEU  50   3.328  -7.571   2.961
  399   2HD1  LEU  50          HD22      LEU  50   3.146  -7.997   1.259
  400   3HD1  LEU  50          HD23      LEU  50   2.116  -8.756   2.472
  401   1HD2  LEU  50          HD11      LEU  50   0.246  -7.855   0.807
  402   2HD2  LEU  50          HD12      LEU  50  -0.496  -6.504   1.664
  403   3HD2  LEU  50          HD13      LEU  50  -0.063  -7.972   2.539
  404    H    VAL  51           HN       VAL  51   1.792  -3.777   5.422
  405    HA   VAL  51           HA       VAL  51   1.242  -1.381   4.065
  406    HB   VAL  51           HB       VAL  51   1.558  -1.879   7.026
  407   1HG1  VAL  51          HG21      VAL  51   0.975   0.240   7.479
  408   2HG1  VAL  51          HG22      VAL  51  -0.162   0.320   6.133
  409   3HG1  VAL  51          HG23      VAL  51   1.560   0.570   5.848
  410   1HG2  VAL  51          HG11      VAL  51  -1.083  -1.564   6.620
  411   2HG2  VAL  51          HG12      VAL  51  -0.272  -3.130   6.606
  412   3HG2  VAL  51          HG13      VAL  51  -0.620  -2.304   5.087
  413    H    ARG  52           HN       ARG  52   3.972  -2.355   6.110
  414    HA   ARG  52           HA       ARG  52   5.238   0.156   6.226
  415   1HB   ARG  52          HB2       ARG  52   5.821  -1.753   7.694
  416   2HB   ARG  52          HB1       ARG  52   6.515  -2.587   6.310
  417   1HG   ARG  52          HG2       ARG  52   8.336  -1.178   6.202
  418   2HG   ARG  52          HG1       ARG  52   7.506   0.128   7.051
  419   1HD   ARG  52          HD1       ARG  52   7.750  -0.925   9.136
  420   2HD   ARG  52          HD2       ARG  52   8.161  -2.474   8.399
  421    HE   ARG  52           HE       ARG  52  10.025  -0.351   7.827
  422   1HH1  ARG  52          HH11      ARG  52   9.167  -2.927  10.011
  423   2HH1  ARG  52          HH12      ARG  52  10.773  -3.105  10.636
  424   1HH2  ARG  52          HH22      ARG  52  12.142  -0.580   8.642
  425   2HH2  ARG  52          HH21      ARG  52  12.464  -1.771   9.857
  426    H    LYS  53           HN       LYS  53   5.467  -2.506   3.920
  427    HA   LYS  53           HA       LYS  53   7.516  -1.318   2.329
  428   1HB   LYS  53          HB2       LYS  53   6.995  -3.744   2.281
  429   2HB   LYS  53          HB1       LYS  53   5.436  -3.378   1.554
  430   1HG   LYS  53          HG2       LYS  53   6.694  -2.308  -0.343
  431   2HG   LYS  53          HG1       LYS  53   8.165  -2.988   0.356
  432   1HD   LYS  53          HD2       LYS  53   7.015  -5.240   0.255
  433   2HD   LYS  53          HD1       LYS  53   5.774  -4.459  -0.729
  434   1HE   LYS  53          HE1       LYS  53   7.113  -5.148  -2.418
  435   2HE   LYS  53          HE2       LYS  53   7.944  -3.637  -2.052
  436   1HZ   LYS  53          HZ1       LYS  53   8.702  -6.370  -1.197
  437   2HZ   LYS  53          HZ2       LYS  53   9.390  -4.977  -0.528
  438   3HZ   LYS  53          HZ3       LYS  53   9.584  -5.308  -2.176
  439    H    LEU  54           HN       LEU  54   4.038  -1.164   2.473
  440    HA   LEU  54           HA       LEU  54   3.611   0.146  -0.015
  441   1HB   LEU  54          HB1       LEU  54   2.040  -0.716   2.250
  442   2HB   LEU  54          HB2       LEU  54   1.557   0.891   1.747
  443    HG   LEU  54           HG       LEU  54   0.204  -0.877   0.693
  444   1HD1  LEU  54          HD11      LEU  54   0.182   0.046  -1.466
  445   2HD1  LEU  54          HD12      LEU  54   1.900   0.438  -1.405
  446   3HD1  LEU  54          HD13      LEU  54   0.754   1.339  -0.413
  447   1HD2  LEU  54          HD21      LEU  54   1.123  -2.735  -0.082
  448   2HD2  LEU  54          HD22      LEU  54   2.722  -2.113   0.326
  449   3HD2  LEU  54          HD23      LEU  54   2.036  -1.805  -1.270
  450    H    GLN  55           HN       GLN  55   4.975   1.180   2.898
  451    HA   GLN  55           HA       GLN  55   4.072   3.854   2.997
  452   1HB   GLN  55          HB1       GLN  55   6.376   2.360   4.169
  453   2HB   GLN  55          HB2       GLN  55   6.384   4.115   4.239
  454   1HG   GLN  55          HG1       GLN  55   4.120   3.983   5.311
  455   2HG   GLN  55          HG2       GLN  55   4.359   2.239   5.424
  456   1HE2  GLN  55          HE22      GLN  55   4.594   5.038   7.088
  457   2HE2  GLN  55          HE21      GLN  55   5.783   4.590   8.259
  458    H    GLU  56           HN       GLU  56   6.418   5.370   3.120
  459    HA   GLU  56           HA       GLU  56   6.791   5.952   0.340
  460   1HB   GLU  56          HB1       GLU  56   6.717   7.595   2.341
  461   2HB   GLU  56          HB2       GLU  56   8.408   7.164   2.566
  462   1HG   GLU  56          HG1       GLU  56   9.030   8.072   0.496
  463   2HG   GLU  56          HG2       GLU  56   7.360   8.152  -0.064
  464    H    GLU  57           HN       GLU  57   7.792   4.067  -0.470
  465    HA   GLU  57           HA       GLU  57  10.311   3.161   0.566
  466   1HB   GLU  57          HB1       GLU  57   8.534   1.789  -0.702
  467   2HB   GLU  57          HB2       GLU  57   9.214   2.500  -2.159
  468   1HG   GLU  57          HG2       GLU  57  10.589   0.753  -2.163
  469   2HG   GLU  57          HG1       GLU  57  11.443   1.589  -0.867
  470    H    LYS  58           HN       LYS  58  12.291   3.089  -0.738
  471    HA   LYS  58           HA       LYS  58  12.870   5.680  -1.821
  472   1HB   LYS  58          HB1       LYS  58  14.690   3.274  -1.714
  473   2HB   LYS  58          HB2       LYS  58  15.166   4.959  -1.878
  474   1HG   LYS  58          HG1       LYS  58  14.832   5.417   0.336
  475   2HG   LYS  58          HG2       LYS  58  13.611   4.157   0.525
  476   1HD   LYS  58          HD2       LYS  58  15.248   2.447   0.581
  477   2HD   LYS  58          HD1       LYS  58  16.514   3.545   0.029
  478   1HE   LYS  58          HE1       LYS  58  15.049   3.851   2.643
  479   2HE   LYS  58          HE2       LYS  58  16.582   2.998   2.473
  480   1HZ   LYS  58          HZ1       LYS  58  17.690   4.907   2.442
  481   2HZ   LYS  58          HZ2       LYS  58  16.262   5.673   2.925
  482   3HZ   LYS  58          HZ3       LYS  58  16.665   5.591   1.284
  483    H    TYR  59           HN       TYR  59  11.115   3.633  -3.240
  484    HA   TYR  59           HA       TYR  59  12.591   3.225  -5.719
  485   1HB   TYR  59          HB2       TYR  59  10.187   2.082  -4.480
  486   2HB   TYR  59          HB1       TYR  59  10.025   2.369  -6.209
  487    HD1  TYR  59           HD1      TYR  59  11.923   0.537  -3.637
  488    HD2  TYR  59           HD2      TYR  59  11.228   1.048  -7.803
  489    HE1  TYR  59           HE1      TYR  59  13.162  -1.538  -4.093
  490    HE2  TYR  59           HE2      TYR  59  12.463  -1.026  -8.271
  491    HH   TYR  59           HH       TYR  59  13.221  -3.280  -5.932
  492    H    GLY  60           HN       GLY  60  12.818   5.218  -6.656
  493   1HA   GLY  60          HA2       GLY  60  11.017   6.220  -8.397
  494   2HA   GLY  60          HA1       GLY  60  10.559   7.010  -6.896
  495    H    SER  61           HN       SER  61  13.879   6.283  -7.174
  496    HA   SER  61           HA       SER  61  14.493   9.115  -7.408
  497   1HB   SER  61          HB2       SER  61  16.351   6.772  -6.929
  498   2HB   SER  61          HB1       SER  61  16.763   8.478  -6.765
  499    HG   SER  61           HG       SER  61  14.604   7.449  -5.304
  500    H    CYS  62           HN       CYS  62  15.426   6.080  -9.017
  501    HA   CYS  62           HA       CYS  62  15.508   7.379 -11.576
  502   1HB   CYS  62          HB1       CYS  62  17.840   7.570 -10.145
  503   2HB   CYS  62          HB2       CYS  62  18.107   6.099 -11.075
  504    HG   CYS  62           HG       CYS  62  18.125   7.420 -13.213
  505    H    HIS  63           HN       HIS  63  15.331   4.692  -9.577
  506    HA   HIS  63           HA       HIS  63  14.819   2.508  -9.925
  507   1HB   HIS  63          HB2       HIS  63  13.537   3.839 -11.943
  508   2HB   HIS  63          HB1       HIS  63  14.504   2.674 -12.843
  509    HD2  HIS  63           HD2      HIS  63  11.714   2.651 -10.076
  510    HE1  HIS  63           HE1      HIS  63  11.804  -1.081 -12.071
  511    HE2  HIS  63           HE2      HIS  63  10.591   0.327 -10.345
  512    H    PHE  64           HN       PHE  64  15.667   0.512 -10.762
  513    HA   PHE  64           HA       PHE  64  18.477   0.734 -11.403
  514   1HB   PHE  64          HB1       PHE  64  17.592  -0.917  -9.742
  515   2HB   PHE  64          HB2       PHE  64  16.807  -1.767 -11.069
  516    HD1  PHE  64           HD1      PHE  64  17.960  -3.375 -12.292
  517    HD2  PHE  64           HD2      PHE  64  20.125  -0.661  -9.831
  518    HE1  PHE  64           HE1      PHE  64  20.018  -4.667 -12.684
  519    HE2  PHE  64           HE2      PHE  64  22.187  -1.945 -10.220
  520    HZ   PHE  64           HZ       PHE  64  22.135  -3.951 -11.648
  521    H    THR  65           HN       THR  65  18.773   1.343 -13.491
  522    HA   THR  65           HA       THR  65  17.350  -0.100 -15.602
  523    HB   THR  65           HB       THR  65  18.904   1.712 -16.913
  524    HG1  THR  65           HG1      THR  65  18.945   3.590 -15.707
  525   1HG2  THR  65          HG21      THR  65  16.674   3.201 -16.098
  526   2HG2  THR  65          HG22      THR  65  16.155   1.519 -16.188
  527   3HG2  THR  65          HG23      THR  65  16.890   2.291 -17.593
  528    H    ASN  66           HN       ASN  66  18.916  -0.268 -17.672
  529    HA   ASN  66           HA       ASN  66  20.960  -2.154 -16.851
  530   1HB   ASN  66          HB2       ASN  66  19.297  -1.765 -19.171
  531   2HB   ASN  66          HB1       ASN  66  20.987  -1.882 -19.656
  532   1HD2  ASN  66          HD21      ASN  66  21.110  -3.866 -20.481
  533   2HD2  ASN  66          HD22      ASN  66  20.705  -5.319 -19.639
  534    HA   PRO  67           HA       PRO  67  24.373   0.620 -17.282
  535   1HB   PRO  67          HB2       PRO  67  26.339  -1.139 -17.966
  536   2HB   PRO  67          HB1       PRO  67  25.709  -0.975 -16.323
  537   1HG   PRO  67          HG2       PRO  67  25.034  -3.003 -18.421
  538   2HG   PRO  67          HG1       PRO  67  25.312  -3.238 -16.685
  539   1HD   PRO  67          HD2       PRO  67  22.831  -3.147 -17.748
  540   2HD   PRO  67          HD1       PRO  67  23.187  -2.530 -16.121
  541    H    SER  68           HN       SER  68  23.908  -1.773 -19.861
  542    HA   SER  68           HA       SER  68  25.314  -0.150 -21.797
  543   1HB   SER  68          HB2       SER  68  23.818  -2.184 -23.098
  544   2HB   SER  68          HB1       SER  68  25.554  -2.146 -22.787
  545    HG   SER  68           HG       SER  68  23.534  -3.490 -21.445
  546    H    LYS  69           HN       LYS  69  22.404   0.165 -20.401
  547    HA   LYS  69           HA       LYS  69  20.866   0.808 -22.780
  548   1HB   LYS  69          HB2       LYS  69  19.940  -0.293 -20.647
  549   2HB   LYS  69          HB1       LYS  69  20.022   1.312 -19.933
  550   1HG   LYS  69          HG1       LYS  69  18.015   1.721 -20.765
  551   2HG   LYS  69          HG2       LYS  69  18.716   1.647 -22.383
  552   1HD   LYS  69          HD2       LYS  69  17.902  -0.428 -22.786
  553   2HD   LYS  69          HD1       LYS  69  18.100  -0.946 -21.111
  554   1HE   LYS  69          HE2       LYS  69  15.971   0.984 -22.009
  555   2HE   LYS  69          HE1       LYS  69  15.722  -0.759 -21.917
  556   1HZ   LYS  69          HZ1       LYS  69  15.359  -0.593 -19.753
  557   2HZ   LYS  69          HZ2       LYS  69  15.464   1.090 -19.872
  558   3HZ   LYS  69          HZ3       LYS  69  16.841   0.182 -19.501
  559    H    ARG  70           HN       ARG  70  21.607   2.626 -23.736
  560    HA   ARG  70           HA       ARG  70  22.408   4.925 -22.181
  561   1HB   ARG  70          HB2       ARG  70  23.516   4.231 -24.332
  562   2HB   ARG  70          HB1       ARG  70  22.056   4.729 -25.176
  563   1HG   ARG  70          HG1       ARG  70  22.363   7.012 -24.297
  564   2HG   ARG  70          HG2       ARG  70  23.871   6.492 -23.543
  565   1HD   ARG  70          HD2       ARG  70  24.859   6.031 -25.665
  566   2HD   ARG  70          HD1       ARG  70  23.320   6.264 -26.494
  567    HE   ARG  70           HE       ARG  70  23.692   8.657 -25.359
  568   1HH1  ARG  70          HH11      ARG  70  25.830   6.628 -27.219
  569   2HH1  ARG  70          HH12      ARG  70  26.724   7.956 -27.879
  570   1HH2  ARG  70          HH21      ARG  70  24.863  10.410 -26.223
  571   2HH2  ARG  70          HH22      ARG  70  26.174  10.105 -27.312
  572    H    GLU  71           HN       GLU  71  20.615   5.692 -21.120
  573    HA   GLU  71           HA       GLU  71  18.209   6.311 -22.638
  574   1HB   GLU  71          HB1       GLU  71  17.370   7.082 -20.371
  575   2HB   GLU  71          HB2       GLU  71  17.760   5.372 -20.507
  576   1HG   GLU  71          HG2       GLU  71  20.126   6.443 -19.651
  577   2HG   GLU  71          HG1       GLU  71  18.933   7.441 -18.820
  Start of MODEL   11
    1   1H    MET   1          HT1       MET   1  -9.368 -13.497   6.826
    2   2H    MET   1          HT2       MET   1 -10.372 -12.219   6.278
    3   3H    MET   1          HT3       MET   1  -9.439 -12.024   7.704
    4    HA   MET   1           HA       MET   1  -7.458 -12.451   6.231
    5   1HB   MET   1          HB1       MET   1  -9.371 -11.449   4.131
    6   2HB   MET   1          HB2       MET   1  -7.744 -12.078   3.911
    7   1HG   MET   1          HG1       MET   1  -8.494 -14.307   4.468
    8   2HG   MET   1          HG2       MET   1 -10.115 -13.702   4.804
    9   1HE   MET   1          HE1       MET   1  -9.058 -16.016   3.069
   10   2HE   MET   1          HE2       MET   1  -9.536 -15.908   1.375
   11   3HE   MET   1          HE3       MET   1 -10.765 -15.908   2.639
   12    H    TYR   2           HN       TYR   2  -6.516 -10.437   5.071
   13    HA   TYR   2           HA       TYR   2  -7.688  -7.979   6.177
   14   1HB   TYR   2          HB2       TYR   2  -5.073  -9.181   6.795
   15   2HB   TYR   2          HB1       TYR   2  -5.001  -7.476   6.359
   16    HD1  TYR   2           HD1      TYR   2  -5.118  -5.972   8.089
   17    HD2  TYR   2           HD2      TYR   2  -7.097  -9.714   8.510
   18    HE1  TYR   2           HE1      TYR   2  -5.794  -5.351  10.370
   19    HE2  TYR   2           HE2      TYR   2  -7.780  -9.105  10.792
   20    HH   TYR   2           HH       TYR   2  -7.111  -7.604  12.576
   21    H    ILE   3           HN       ILE   3  -6.993  -6.028   5.124
   22    HA   ILE   3           HA       ILE   3  -5.920  -6.428   2.407
   23    HB   ILE   3           HB       ILE   3  -7.476  -4.550   1.712
   24   1HG1  ILE   3          HG11      ILE   3  -9.230  -5.313   4.004
   25   2HG1  ILE   3          HG12      ILE   3  -7.945  -4.146   4.297
   26   1HG2  ILE   3          HG21      ILE   3  -9.069  -6.922   2.591
   27   2HG2  ILE   3          HG22      ILE   3  -7.788  -7.100   1.390
   28   3HG2  ILE   3          HG23      ILE   3  -9.146  -6.017   1.077
   29   1HD1  ILE   3          HD11      ILE   3  -8.841  -2.715   2.540
   30   2HD1  ILE   3          HD12      ILE   3 -10.041  -3.040   3.792
   31   3HD1  ILE   3          HD13      ILE   3 -10.128  -3.885   2.245
   32    H    ILE   4           HN       ILE   4  -5.022  -4.424   1.446
   33    HA   ILE   4           HA       ILE   4  -4.141  -2.492   3.488
   34    HB   ILE   4           HB       ILE   4  -2.502  -3.963   1.473
   35   1HG1  ILE   4          HG12      ILE   4  -0.925  -3.397   3.621
   36   2HG1  ILE   4          HG11      ILE   4  -2.517  -3.398   4.373
   37   1HG2  ILE   4          HG21      ILE   4  -1.655  -2.033   0.689
   38   2HG2  ILE   4          HG22      ILE   4  -0.771  -2.017   2.217
   39   3HG2  ILE   4          HG23      ILE   4  -2.263  -1.092   2.051
   40   1HD1  ILE   4          HD11      ILE   4  -1.050  -5.629   3.053
   41   2HD1  ILE   4          HD12      ILE   4  -2.811  -5.661   3.155
   42   3HD1  ILE   4          HD13      ILE   4  -1.845  -5.577   4.627
   43    H    PHE   5           HN       PHE   5  -3.860  -0.339   2.779
   44    HA   PHE   5           HA       PHE   5  -4.749   0.324   0.075
   45   1HB   PHE   5          HB1       PHE   5  -6.147   2.181   1.510
   46   2HB   PHE   5          HB2       PHE   5  -6.831   0.710   0.836
   47    HD1  PHE   5           HD1      PHE   5  -7.210  -1.260   2.273
   48    HD2  PHE   5           HD2      PHE   5  -5.919   2.474   3.844
   49    HE1  PHE   5           HE1      PHE   5  -7.882  -1.979   4.529
   50    HE2  PHE   5           HE2      PHE   5  -6.589   1.764   6.096
   51    HZ   PHE   5           HZ       PHE   5  -7.569  -0.460   6.442
   52    H    ARG   6           HN       ARG   6  -5.044   3.100   0.465
   53    HA   ARG   6           HA       ARG   6  -2.518   3.964   1.663
   54   1HB   ARG   6          HB2       ARG   6  -3.189   4.026  -1.239
   55   2HB   ARG   6          HB1       ARG   6  -2.316   5.398  -0.571
   56   1HG   ARG   6          HG1       ARG   6  -0.493   4.040   0.084
   57   2HG   ARG   6          HG2       ARG   6  -1.401   2.557  -0.225
   58   1HD   ARG   6          HD1       ARG   6   0.322   3.234  -1.967
   59   2HD   ARG   6          HD2       ARG   6  -1.295   2.845  -2.551
   60    HE   ARG   6           HE       ARG   6  -1.567   5.035  -3.197
   61   1HH1  ARG   6          HH22      ARG   6   1.281   4.743  -1.209
   62   2HH1  ARG   6          HH21      ARG   6   1.843   6.345  -1.554
   63   1HH2  ARG   6          HH12      ARG   6  -0.835   7.144  -3.656
   64   2HH2  ARG   6          HH11      ARG   6   0.640   7.710  -2.944
   65    H    CYS   7           HN       CYS   7  -2.883   5.687   2.883
   66    HA   CYS   7           HA       CYS   7  -5.306   7.201   2.634
   67   1HB   CYS   7          HB2       CYS   7  -4.184   6.656   4.830
   68   2HB   CYS   7          HB1       CYS   7  -2.939   7.824   4.400
   69    HG   CYS   7           HG       CYS   7  -5.802   8.928   4.494
   70    H    ASP   8           HN       ASP   8  -5.355   9.536   2.394
   71    HA   ASP   8           HA       ASP   8  -4.073  10.403   0.100
   72   1HB   ASP   8          HB1       ASP   8  -5.920  11.499   2.032
   73   2HB   ASP   8          HB2       ASP   8  -4.772  12.730   1.514
   74    H    CYS   9           HN       CYS   9  -2.899  10.335   3.303
   75    HA   CYS   9           HA       CYS   9  -0.951  12.425   3.049
   76   1HB   CYS   9          HB2       CYS   9  -0.582  10.108   4.903
   77   2HB   CYS   9          HB1       CYS   9  -0.237  11.814   5.171
   78    HG   CYS   9           HG       CYS   9  -2.298  11.346   6.581
   79    H    GLY  10           HN       GLY  10  -1.319   9.713   1.364
   80   1HA   GLY  10          HA2       GLY  10   0.113   8.677  -0.135
   81   2HA   GLY  10          HA1       GLY  10   1.450   9.582   0.563
   82    H    ARG  11           HN       ARG  11  -0.352   8.158   2.977
   83    HA   ARG  11           HA       ARG  11   1.756   6.200   3.444
   84   1HB   ARG  11          HB2       ARG  11   0.944   6.015   5.666
   85   2HB   ARG  11          HB1       ARG  11   0.917   7.724   5.259
   86   1HG   ARG  11          HG1       ARG  11  -1.390   7.801   5.160
   87   2HG   ARG  11          HG2       ARG  11  -1.538   6.060   4.915
   88   1HD   ARG  11          HD2       ARG  11  -2.235   6.747   7.170
   89   2HD   ARG  11          HD1       ARG  11  -0.860   5.645   7.200
   90    HE   ARG  11           HE       ARG  11  -0.615   8.562   7.563
   91   1HH1  ARG  11          HH22      ARG  11   0.296   5.288   8.335
   92   2HH1  ARG  11          HH21      ARG  11   1.480   5.757   9.508
   93   1HH2  ARG  11          HH11      ARG  11   0.942   9.188   9.107
   94   2HH2  ARG  11          HH12      ARG  11   1.847   7.974   9.947
   95    H    ALA  12           HN       ALA  12   0.251   4.359   4.968
   96    HA   ALA  12           HA       ALA  12  -1.786   3.220   3.258
   97   1HB   ALA  12          HB1       ALA  12   0.098   2.352   2.100
   98   2HB   ALA  12          HB2       ALA  12  -0.555   1.037   3.076
   99   3HB   ALA  12          HB3       ALA  12   0.893   1.894   3.606
  100    H    LEU  13           HN       LEU  13  -2.866   1.367   4.266
  101    HA   LEU  13           HA       LEU  13  -2.153   0.865   7.052
  102   1HB   LEU  13          HB1       LEU  13  -4.624   2.254   6.146
  103   2HB   LEU  13          HB2       LEU  13  -4.746   1.142   7.495
  104    HG   LEU  13           HG       LEU  13  -2.522   2.986   7.817
  105   1HD1  LEU  13          HD21      LEU  13  -4.529   4.739   8.429
  106   2HD1  LEU  13          HD22      LEU  13  -5.078   4.057   6.898
  107   3HD1  LEU  13          HD23      LEU  13  -3.494   4.827   7.003
  108   1HD2  LEU  13          HD11      LEU  13  -4.993   2.470   9.466
  109   2HD2  LEU  13          HD12      LEU  13  -3.522   3.282  10.004
  110   3HD2  LEU  13          HD13      LEU  13  -3.481   1.570   9.583
  111    H    TYR  14           HN       TYR  14  -4.152  -0.615   7.952
  112    HA   TYR  14           HA       TYR  14  -4.714  -2.694   5.950
  113   1HB   TYR  14          HB2       TYR  14  -4.102  -4.407   7.702
  114   2HB   TYR  14          HB1       TYR  14  -2.746  -3.503   7.037
  115    HD1  TYR  14           HD1      TYR  14  -4.722  -4.194  10.014
  116    HD2  TYR  14           HD2      TYR  14  -1.607  -1.791   8.396
  117    HE1  TYR  14           HE1      TYR  14  -4.045  -3.552  12.288
  118    HE2  TYR  14           HE2      TYR  14  -0.921  -1.142  10.666
  119    HH   TYR  14           HH       TYR  14  -1.279  -2.442  13.140
  120    H    SER  15           HN       SER  15  -6.639  -3.783   6.245
  121    HA   SER  15           HA       SER  15  -8.125  -3.554   8.709
  122   1HB   SER  15          HB1       SER  15  -8.627  -1.421   7.458
  123   2HB   SER  15          HB2       SER  15  -9.366  -2.409   6.199
  124    HG   SER  15           HG       SER  15 -11.077  -2.534   7.395
  125    H    ARG  16           HN       ARG  16 -10.595  -4.346   7.939
  126    HA   ARG  16           HA       ARG  16 -10.152  -7.083   7.218
  127   1HB   ARG  16          HB2       ARG  16 -12.326  -5.481   8.316
  128   2HB   ARG  16          HB1       ARG  16 -12.894  -6.657   7.138
  129   1HG   ARG  16          HG2       ARG  16 -11.634  -8.405   8.422
  130   2HG   ARG  16          HG1       ARG  16 -11.356  -7.184   9.667
  131   1HD   ARG  16          HD1       ARG  16 -13.963  -6.887   9.488
  132   2HD   ARG  16          HD2       ARG  16 -13.886  -8.528   8.848
  133    HE   ARG  16           HE       ARG  16 -13.392  -7.692  11.570
  134   1HH1  ARG  16          HH11      ARG  16 -12.993 -10.196   9.178
  135   2HH1  ARG  16          HH12      ARG  16 -12.778 -11.456  10.347
  136   1HH2  ARG  16          HH21      ARG  16 -13.108  -9.345  13.115
  137   2HH2  ARG  16          HH22      ARG  16 -12.843 -10.973  12.584
  138    H    GLU  17           HN       GLU  17 -10.803  -8.165   5.383
  139    HA   GLU  17           HA       GLU  17 -10.589  -6.870   2.935
  140   1HB   GLU  17          HB1       GLU  17 -10.271  -9.315   3.341
  141   2HB   GLU  17          HB2       GLU  17 -12.018  -9.483   3.452
  142   1HG   GLU  17          HG1       GLU  17 -12.184  -9.654   1.256
  143   2HG   GLU  17          HG2       GLU  17 -11.355  -8.114   1.035
  144    H    GLY  18           HN       GLY  18 -11.912  -5.298   2.255
  145   1HA   GLY  18          HA2       GLY  18 -14.186  -5.349   1.042
  146   2HA   GLY  18          HA1       GLY  18 -14.810  -5.635   2.658
  147    H    ALA  19           HN       ALA  19 -12.228  -3.677   3.103
  148    HA   ALA  19           HA       ALA  19 -13.883  -1.393   3.612
  149   1HB   ALA  19          HB1       ALA  19 -11.128  -0.707   3.754
  150   2HB   ALA  19          HB2       ALA  19 -11.346  -2.310   4.459
  151   3HB   ALA  19          HB3       ALA  19 -12.279  -0.943   5.071
  152    H    LYS  20           HN       LYS  20 -14.502  -0.006   2.109
  153    HA   LYS  20           HA       LYS  20 -13.004   0.243  -0.372
  154   1HB   LYS  20          HB2       LYS  20 -15.680   1.274   0.555
  155   2HB   LYS  20          HB1       LYS  20 -14.953   1.798  -0.958
  156   1HG   LYS  20          HG2       LYS  20 -15.836   0.034  -1.952
  157   2HG   LYS  20          HG1       LYS  20 -14.828  -1.010  -0.947
  158   1HD   LYS  20          HD1       LYS  20 -16.610  -0.833   0.826
  159   2HD   LYS  20          HD2       LYS  20 -17.626  -0.051  -0.387
  160   1HE   LYS  20          HE2       LYS  20 -16.390  -2.783  -0.691
  161   2HE   LYS  20          HE1       LYS  20 -18.044  -2.487  -0.154
  162   1HZ   LYS  20          HZ1       LYS  20 -18.247  -2.882  -2.417
  163   2HZ   LYS  20          HZ2       LYS  20 -16.858  -2.002  -2.814
  164   3HZ   LYS  20          HZ3       LYS  20 -18.262  -1.192  -2.330
  165    H    THR  21           HN       THR  21 -14.076   2.290   2.317
  166    HA   THR  21           HA       THR  21 -11.854   4.101   1.752
  167    HB   THR  21           HB       THR  21 -13.695   5.946   2.409
  168    HG1  THR  21           HG1      THR  21 -15.131   4.058   0.856
  169   1HG2  THR  21          HG21      THR  21 -12.899   6.691   0.489
  170   2HG2  THR  21          HG22      THR  21 -14.139   5.728  -0.314
  171   3HG2  THR  21          HG23      THR  21 -12.525   5.059  -0.069
  172    H    ARG  22           HN       ARG  22 -10.711   4.036   3.558
  173    HA   ARG  22           HA       ARG  22 -12.011   3.695   6.136
  174   1HB   ARG  22          HB1       ARG  22  -9.727   2.657   5.181
  175   2HB   ARG  22          HB2       ARG  22  -9.074   4.100   5.943
  176   1HG   ARG  22          HG2       ARG  22  -8.934   2.330   7.516
  177   2HG   ARG  22          HG1       ARG  22 -10.223   3.411   8.051
  178   1HD   ARG  22          HD1       ARG  22 -11.748   1.787   6.683
  179   2HD   ARG  22          HD2       ARG  22 -10.405   0.665   6.896
  180    HE   ARG  22           HE       ARG  22 -11.056   0.395   9.061
  181   1HH1  ARG  22          HH12      ARG  22 -12.360   3.408   7.891
  182   2HH1  ARG  22          HH11      ARG  22 -13.267   3.724   9.332
  183   1HH2  ARG  22          HH21      ARG  22 -12.246   0.803  10.961
  184   2HH2  ARG  22          HH22      ARG  22 -13.202   2.243  11.077
  185    H    LYS  23           HN       LYS  23 -10.223   5.065   7.789
  186    HA   LYS  23           HA       LYS  23 -10.199   7.845   6.952
  187   1HB   LYS  23          HB1       LYS  23 -12.460   7.599   7.840
  188   2HB   LYS  23          HB2       LYS  23 -11.825   6.903   9.325
  189   1HG   LYS  23          HG1       LYS  23 -11.256   8.906  10.180
  190   2HG   LYS  23          HG2       LYS  23 -10.782   9.563   8.612
  191   1HD   LYS  23          HD1       LYS  23 -13.092   9.916   8.010
  192   2HD   LYS  23          HD2       LYS  23 -13.632   9.132   9.497
  193   1HE   LYS  23          HE1       LYS  23 -13.026  10.913  10.819
  194   2HE   LYS  23          HE2       LYS  23 -11.805  11.478   9.680
  195   1HZ   LYS  23          HZ1       LYS  23 -14.174  12.636   9.979
  196   2HZ   LYS  23          HZ2       LYS  23 -14.551  11.552   8.737
  197   3HZ   LYS  23          HZ3       LYS  23 -13.303  12.675   8.528
  198    H    CYS  24           HN       CYS  24  -8.834   9.150   8.177
  199    HA   CYS  24           HA       CYS  24  -6.962   7.664   9.871
  200   1HB   CYS  24          HB2       CYS  24  -6.666   9.711   7.874
  201   2HB   CYS  24          HB1       CYS  24  -6.004  10.284   9.402
  202    HG   CYS  24           HG       CYS  24  -4.544   8.539   7.600
  203    H    VAL  25           HN       VAL  25  -6.919   7.970  11.991
  204    HA   VAL  25           HA       VAL  25  -8.779   9.681  13.281
  205    HB   VAL  25           HB       VAL  25  -6.434   8.578  14.762
  206   1HG1  VAL  25          HG11      VAL  25  -9.136   8.081  15.732
  207   2HG1  VAL  25          HG12      VAL  25  -8.787   9.793  15.493
  208   3HG1  VAL  25          HG13      VAL  25  -7.758   8.822  16.546
  209   1HG2  VAL  25          HG21      VAL  25  -8.452   6.579  14.629
  210   2HG2  VAL  25          HG22      VAL  25  -6.763   6.474  14.134
  211   3HG2  VAL  25          HG23      VAL  25  -7.986   7.008  12.983
  212    H    CYS  26           HN       CYS  26  -5.589  10.117  12.129
  213    HA   CYS  26           HA       CYS  26  -4.753  12.183  13.892
  214   1HB   CYS  26          HB2       CYS  26  -3.093  11.000  12.616
  215   2HB   CYS  26          HB1       CYS  26  -3.873  11.434  11.098
  216    HG   CYS  26           HG       CYS  26  -1.814  13.076  12.512
  217    H    GLY  27           HN       GLY  27  -6.730  12.095  11.024
  218   1HA   GLY  27          HA1       GLY  27  -8.317  14.085  11.059
  219   2HA   GLY  27          HA2       GLY  27  -6.846  15.045  11.026
  220    H    ARG  28           HN       ARG  28  -8.209  12.279   9.232
  221    HA   ARG  28           HA       ARG  28  -8.366  13.656   6.771
  222   1HB   ARG  28          HB2       ARG  28  -5.814  12.380   7.431
  223   2HB   ARG  28          HB1       ARG  28  -6.496  11.819   5.909
  224   1HG   ARG  28          HG1       ARG  28  -6.170  13.799   4.879
  225   2HG   ARG  28          HG2       ARG  28  -6.513  14.732   6.337
  226   1HD   ARG  28          HD2       ARG  28  -4.350  14.915   6.832
  227   2HD   ARG  28          HD1       ARG  28  -4.088  13.185   6.620
  228    HE   ARG  28           HE       ARG  28  -3.692  13.600   4.282
  229   1HH1  ARG  28          HH11      ARG  28  -3.820  16.426   6.318
  230   2HH1  ARG  28          HH12      ARG  28  -2.942  17.424   5.208
  231   1HH2  ARG  28          HH22      ARG  28  -2.536  14.906   2.815
  232   2HH2  ARG  28          HH21      ARG  28  -2.212  16.559   3.216
  233    H    THR  29           HN       THR  29  -8.005  11.545   4.990
  234    HA   THR  29           HA       THR  29  -9.693   9.379   6.016
  235    HB   THR  29           HB       THR  29 -10.239  10.940   3.483
  236    HG1  THR  29           HG1      THR  29 -12.210  10.669   5.368
  237   1HG2  THR  29          HG21      THR  29 -12.383   9.236   4.232
  238   2HG2  THR  29          HG22      THR  29 -10.915   8.273   4.067
  239   3HG2  THR  29          HG23      THR  29 -11.466   9.277   2.726
  240    H    VAL  30           HN       VAL  30  -9.194   7.396   5.237
  241    HA   VAL  30           HA       VAL  30  -6.902   7.242   3.425
  242    HB   VAL  30           HB       VAL  30  -8.102   4.960   4.980
  243   1HG1  VAL  30          HG21      VAL  30  -5.751   4.106   4.780
  244   2HG1  VAL  30          HG22      VAL  30  -5.431   5.443   3.677
  245   3HG1  VAL  30          HG23      VAL  30  -6.633   4.222   3.257
  246   1HG2  VAL  30          HG11      VAL  30  -7.450   5.983   6.847
  247   2HG2  VAL  30          HG12      VAL  30  -6.645   7.266   5.942
  248   3HG2  VAL  30          HG13      VAL  30  -5.793   5.762   6.286
  249    H    ASN  31           HN       ASN  31  -7.225   6.837   1.364
  250    HA   ASN  31           HA       ASN  31  -9.718   5.515   0.542
  251   1HB   ASN  31          HB1       ASN  31  -8.695   7.868  -0.332
  252   2HB   ASN  31          HB2       ASN  31  -8.008   6.762  -1.519
  253   1HD2  ASN  31          HD22      ASN  31 -10.700   8.548  -0.629
  254   2HD2  ASN  31          HD21      ASN  31 -11.832   7.880  -1.750
  255    H    VAL  32           HN       VAL  32  -9.597   3.432  -0.010
  256    HA   VAL  32           HA       VAL  32  -7.114   2.102  -0.489
  257    HB   VAL  32           HB       VAL  32  -8.291   0.124  -0.696
  258   1HG1  VAL  32          HG11      VAL  32 -10.407   0.521   0.868
  259   2HG1  VAL  32          HG12      VAL  32  -9.601   2.070   1.109
  260   3HG1  VAL  32          HG13      VAL  32  -8.753   0.569   1.479
  261   1HG2  VAL  32          HG21      VAL  32 -10.601  -0.107  -1.386
  262   2HG2  VAL  32          HG22      VAL  32  -9.686   0.784  -2.604
  263   3HG2  VAL  32          HG23      VAL  32 -10.764   1.645  -1.505
  264    H    LYS  33           HN       LYS  33  -7.208   0.587  -2.674
  265    HA   LYS  33           HA       LYS  33  -6.581   2.343  -4.761
  266   1HB   LYS  33          HB1       LYS  33  -6.521   0.364  -6.218
  267   2HB   LYS  33          HB2       LYS  33  -5.693   0.074  -4.693
  268   1HG   LYS  33          HG2       LYS  33  -7.216  -1.465  -4.010
  269   2HG   LYS  33          HG1       LYS  33  -8.545  -0.707  -4.891
  270   1HD   LYS  33          HD1       LYS  33  -8.048  -2.783  -5.970
  271   2HD   LYS  33          HD2       LYS  33  -7.475  -1.482  -7.016
  272   1HE   LYS  33          HE2       LYS  33  -5.246  -1.901  -5.605
  273   2HE   LYS  33          HE1       LYS  33  -5.950  -3.514  -5.494
  274   1HZ   LYS  33          HZ1       LYS  33  -4.984  -2.068  -7.856
  275   2HZ   LYS  33          HZ2       LYS  33  -6.245  -3.179  -8.050
  276   3HZ   LYS  33          HZ3       LYS  33  -4.760  -3.687  -7.419
  277    H    ASP  34           HN       ASP  34  -7.693   1.810  -7.061
  278    HA   ASP  34           HA       ASP  34 -10.396   2.830  -6.755
  279   1HB   ASP  34          HB2       ASP  34  -8.502   3.606  -8.438
  280   2HB   ASP  34          HB1       ASP  34  -9.168   2.312  -9.431
  281    H    ARG  35           HN       ARG  35  -8.734  -0.040  -7.852
  282    HA   ARG  35           HA       ARG  35 -11.167  -1.242  -8.869
  283   1HB   ARG  35          HB2       ARG  35  -8.286  -2.031  -8.777
  284   2HB   ARG  35          HB1       ARG  35  -9.500  -3.284  -8.990
  285   1HG   ARG  35          HG1       ARG  35 -10.370  -2.026 -10.948
  286   2HG   ARG  35          HG2       ARG  35  -9.016  -0.908 -10.771
  287   1HD   ARG  35          HD2       ARG  35  -7.746  -3.317 -10.750
  288   2HD   ARG  35          HD1       ARG  35  -9.087  -3.634 -11.851
  289    HE   ARG  35           HE       ARG  35  -7.491  -1.239 -12.323
  290   1HH1  ARG  35          HH22      ARG  35  -8.280  -4.515 -13.209
  291   2HH1  ARG  35          HH21      ARG  35  -7.558  -4.401 -14.779
  292   1HH2  ARG  35          HH11      ARG  35  -6.538  -1.080 -14.389
  293   2HH2  ARG  35          HH12      ARG  35  -6.568  -2.449 -15.449
  294    H    ARG  36           HN       ARG  36  -9.245  -3.553  -7.349
  295    HA   ARG  36           HA       ARG  36 -11.331  -4.105  -5.418
  296   1HB   ARG  36          HB2       ARG  36  -8.732  -5.595  -5.790
  297   2HB   ARG  36          HB1       ARG  36 -10.201  -6.177  -5.018
  298   1HG   ARG  36          HG2       ARG  36 -10.896  -5.404  -7.642
  299   2HG   ARG  36          HG1       ARG  36  -9.415  -6.359  -7.749
  300   1HD   ARG  36          HD1       ARG  36 -10.535  -8.074  -6.296
  301   2HD   ARG  36          HD2       ARG  36 -12.029  -7.156  -6.482
  302    HE   ARG  36           HE       ARG  36 -12.230  -7.967  -8.619
  303   1HH1  ARG  36          HH11      ARG  36  -9.016  -8.614  -7.437
  304   2HH1  ARG  36          HH12      ARG  36  -8.594  -9.636  -8.770
  305   1HH2  ARG  36          HH22      ARG  36 -11.680  -9.312 -10.378
  306   2HH2  ARG  36          HH21      ARG  36 -10.107 -10.032 -10.441
  307    H    ILE  37           HN       ILE  37  -8.038  -4.790  -4.576
  308    HA   ILE  37           HA       ILE  37  -7.760  -2.540  -2.782
  309    HB   ILE  37           HB       ILE  37  -8.745  -5.108  -1.824
  310   1HG1  ILE  37          HG12      ILE  37  -9.610  -2.729  -1.415
  311   2HG1  ILE  37          HG11      ILE  37  -9.554  -3.811  -0.029
  312   1HG2  ILE  37          HG21      ILE  37  -7.332  -5.437   0.055
  313   2HG2  ILE  37          HG22      ILE  37  -6.416  -3.970  -0.291
  314   3HG2  ILE  37          HG23      ILE  37  -6.289  -5.365  -1.364
  315   1HD1  ILE  37          HD11      ILE  37  -7.391  -2.759   0.611
  316   2HD1  ILE  37          HD12      ILE  37  -8.780  -1.673   0.659
  317   3HD1  ILE  37          HD13      ILE  37  -7.642  -1.590  -0.685
  318    H    PHE  38           HN       PHE  38  -5.638  -2.307  -1.991
  319    HA   PHE  38           HA       PHE  38  -3.652  -3.815  -3.508
  320   1HB   PHE  38          HB1       PHE  38  -3.753  -1.204  -3.184
  321   2HB   PHE  38          HB2       PHE  38  -2.956  -1.564  -1.657
  322    HD1  PHE  38           HD1      PHE  38  -0.696  -2.393  -1.593
  323    HD2  PHE  38           HD2      PHE  38  -2.624  -1.574  -5.297
  324    HE1  PHE  38           HE1      PHE  38   1.477  -2.495  -2.742
  325    HE2  PHE  38           HE2      PHE  38  -0.455  -1.674  -6.453
  326    HZ   PHE  38           HZ       PHE  38   1.600  -2.135  -5.174
  327    H    GLY  39           HN       GLY  39  -1.824  -4.776  -2.483
  328   1HA   GLY  39          HA1       GLY  39  -0.929  -6.244  -0.957
  329   2HA   GLY  39          HA2       GLY  39  -1.259  -4.960   0.196
  330    H    ARG  40           HN       ARG  40  -2.451  -7.936  -1.209
  331    HA   ARG  40           HA       ARG  40  -4.681  -8.021   0.670
  332   1HB   ARG  40          HB1       ARG  40  -4.555  -8.861  -1.881
  333   2HB   ARG  40          HB2       ARG  40  -4.078 -10.345  -1.069
  334   1HG   ARG  40          HG1       ARG  40  -6.534  -8.852  -0.240
  335   2HG   ARG  40          HG2       ARG  40  -6.558  -9.989  -1.591
  336   1HD   ARG  40          HD2       ARG  40  -5.261 -11.414   0.355
  337   2HD   ARG  40          HD1       ARG  40  -6.435 -10.487   1.289
  338    HE   ARG  40           HE       ARG  40  -8.154 -11.661   0.264
  339   1HH1  ARG  40          HH11      ARG  40  -5.076 -12.492  -1.146
  340   2HH1  ARG  40          HH12      ARG  40  -5.691 -13.877  -1.986
  341   1HH2  ARG  40          HH22      ARG  40  -8.969 -13.483  -0.839
  342   2HH2  ARG  40          HH21      ARG  40  -7.902 -14.440  -1.812
  343    H    ALA  41           HN       ALA  41  -3.636  -8.254   2.624
  344    HA   ALA  41           HA       ALA  41  -1.818 -10.511   2.969
  345   1HB   ALA  41          HB1       ALA  41  -1.496  -9.511   5.256
  346   2HB   ALA  41          HB2       ALA  41  -2.511  -8.167   4.720
  347   3HB   ALA  41          HB3       ALA  41  -0.986  -8.504   3.898
  348    H    ASP  42           HN       ASP  42  -2.530 -12.396   3.677
  349    HA   ASP  42           HA       ASP  42  -5.175 -12.641   4.824
  350   1HB   ASP  42          HB2       ASP  42  -3.929 -15.128   4.992
  351   2HB   ASP  42          HB1       ASP  42  -5.013 -14.587   3.715
  352    H    ASP  43           HN       ASP  43  -1.817 -12.953   5.813
  353    HA   ASP  43           HA       ASP  43  -2.568 -13.703   8.526
  354   1HB   ASP  43          HB1       ASP  43  -0.163 -13.879   6.894
  355   2HB   ASP  43          HB2       ASP  43   0.175 -13.230   8.496
  356    H    PHE  44           HN       PHE  44  -2.524 -12.359  10.255
  357    HA   PHE  44           HA       PHE  44  -2.704  -9.596   9.920
  358   1HB   PHE  44          HB1       PHE  44  -2.822  -9.435  12.274
  359   2HB   PHE  44          HB2       PHE  44  -3.499 -11.014  11.895
  360    HD1  PHE  44           HD1      PHE  44  -1.018  -9.228  13.737
  361    HD2  PHE  44           HD2      PHE  44  -2.009 -13.049  12.147
  362    HE1  PHE  44           HE1      PHE  44   0.581 -10.280  15.281
  363    HE2  PHE  44           HE2      PHE  44  -0.410 -14.109  13.688
  364    HZ   PHE  44           HZ       PHE  44   0.888 -12.724  15.258
  365    H    GLU  45           HN       GLU  45   0.045 -11.649  10.638
  366    HA   GLU  45           HA       GLU  45   1.868  -9.587  11.308
  367   1HB   GLU  45          HB1       GLU  45   1.906 -12.365  11.284
  368   2HB   GLU  45          HB2       GLU  45   3.090 -11.921  10.062
  369   1HG   GLU  45          HG1       GLU  45   3.344 -10.361  12.502
  370   2HG   GLU  45          HG2       GLU  45   3.536 -12.095  12.762
  371    H    GLU  46           HN       GLU  46   1.045 -11.199   8.274
  372    HA   GLU  46           HA       GLU  46   3.078  -9.991   6.718
  373   1HB   GLU  46          HB1       GLU  46   0.512 -11.410   6.104
  374   2HB   GLU  46          HB2       GLU  46   1.368 -10.575   4.816
  375   1HG   GLU  46          HG1       GLU  46   3.414 -11.925   5.590
  376   2HG   GLU  46          HG2       GLU  46   2.239 -12.935   6.430
  377    H    ALA  47           HN       ALA  47  -0.091  -8.971   7.733
  378    HA   ALA  47           HA       ALA  47  -0.610  -6.966   5.856
  379   1HB   ALA  47          HB1       ALA  47  -2.203  -7.854   7.575
  380   2HB   ALA  47          HB2       ALA  47  -2.197  -6.100   7.402
  381   3HB   ALA  47          HB3       ALA  47  -1.371  -6.853   8.766
  382    H    SER  48           HN       SER  48   0.938  -6.687   9.054
  383    HA   SER  48           HA       SER  48   1.511  -3.960   8.928
  384   1HB   SER  48          HB1       SER  48   1.797  -4.799  11.058
  385   2HB   SER  48          HB2       SER  48   2.591  -6.267  10.489
  386    HG   SER  48           HG       SER  48   4.253  -5.154  11.262
  387    H    GLU  49           HN       GLU  49   3.307  -6.733   7.709
  388    HA   GLU  49           HA       GLU  49   5.672  -5.291   7.063
  389   1HB   GLU  49          HB2       GLU  49   4.597  -8.001   6.587
  390   2HB   GLU  49          HB1       GLU  49   5.748  -7.426   5.391
  391   1HG   GLU  49          HG1       GLU  49   6.184  -7.719   8.351
  392   2HG   GLU  49          HG2       GLU  49   6.936  -8.650   7.056
  393    H    LEU  50           HN       LEU  50   2.727  -6.093   5.313
  394    HA   LEU  50           HA       LEU  50   3.613  -5.242   2.758
  395   1HB   LEU  50          HB1       LEU  50   1.150  -6.177   3.976
  396   2HB   LEU  50          HB2       LEU  50   0.848  -4.882   2.834
  397    HG   LEU  50           HG       LEU  50   2.378  -7.402   2.185
  398   1HD1  LEU  50          HD11      LEU  50   0.002  -7.829   2.700
  399   2HD1  LEU  50          HD12      LEU  50   0.406  -8.136   1.011
  400   3HD1  LEU  50          HD13      LEU  50  -0.450  -6.661   1.459
  401   1HD2  LEU  50          HD21      LEU  50   1.178  -5.494   0.219
  402   2HD2  LEU  50          HD22      LEU  50   2.473  -6.670  -0.010
  403   3HD2  LEU  50          HD23      LEU  50   2.776  -5.192   0.904
  404    H    VAL  51           HN       VAL  51   1.793  -3.646   5.342
  405    HA   VAL  51           HA       VAL  51   1.312  -1.226   4.010
  406    HB   VAL  51           HB       VAL  51   1.634  -1.691   6.975
  407   1HG1  VAL  51          HG21      VAL  51  -0.178   0.330   6.669
  408   2HG1  VAL  51          HG22      VAL  51   0.985   0.676   5.389
  409   3HG1  VAL  51          HG23      VAL  51   1.528   0.544   7.061
  410   1HG2  VAL  51          HG11      VAL  51  -0.345  -2.602   5.153
  411   2HG2  VAL  51          HG12      VAL  51  -1.072  -1.377   6.191
  412   3HG2  VAL  51          HG13      VAL  51  -0.293  -2.788   6.906
  413    H    ARG  52           HN       ARG  52   4.004  -2.273   6.065
  414    HA   ARG  52           HA       ARG  52   5.321   0.217   6.194
  415   1HB   ARG  52          HB1       ARG  52   5.719  -2.151   7.407
  416   2HB   ARG  52          HB2       ARG  52   6.965  -2.258   6.170
  417   1HG   ARG  52          HG2       ARG  52   7.717   0.043   6.971
  418   2HG   ARG  52          HG1       ARG  52   6.688  -0.245   8.375
  419   1HD   ARG  52          HD1       ARG  52   8.077  -1.798   9.242
  420   2HD   ARG  52          HD2       ARG  52   8.519  -2.438   7.660
  421    HE   ARG  52           HE       ARG  52  10.278  -0.944   7.565
  422   1HH1  ARG  52          HH22      ARG  52   8.239  -0.231  10.301
  423   2HH1  ARG  52          HH21      ARG  52   9.368   0.869  11.018
  424   1HH2  ARG  52          HH12      ARG  52  11.769   0.504   8.504
  425   2HH2  ARG  52          HH11      ARG  52  11.373   1.287   9.997
  426    H    LYS  53           HN       LYS  53   5.565  -2.492   3.933
  427    HA   LYS  53           HA       LYS  53   7.653  -1.380   2.358
  428   1HB   LYS  53          HB2       LYS  53   5.977  -3.721   2.306
  429   2HB   LYS  53          HB1       LYS  53   6.012  -2.988   0.708
  430   1HG   LYS  53          HG1       LYS  53   8.380  -3.169   0.589
  431   2HG   LYS  53          HG2       LYS  53   8.488  -3.633   2.288
  432   1HD   LYS  53          HD1       LYS  53   7.461  -5.733   1.870
  433   2HD   LYS  53          HD2       LYS  53   6.999  -5.255   0.236
  434   1HE   LYS  53          HE1       LYS  53   9.671  -4.906   0.106
  435   2HE   LYS  53          HE2       LYS  53   9.582  -6.227   1.269
  436   1HZ   LYS  53          HZ1       LYS  53   8.185  -7.435  -0.348
  437   2HZ   LYS  53          HZ2       LYS  53   9.744  -7.128  -0.924
  438   3HZ   LYS  53          HZ3       LYS  53   8.443  -6.198  -1.472
  439    H    LEU  54           HN       LEU  54   4.179  -1.093   2.438
  440    HA   LEU  54           HA       LEU  54   3.847   0.287  -0.029
  441   1HB   LEU  54          HB1       LEU  54   2.214  -0.451   2.278
  442   2HB   LEU  54          HB2       LEU  54   1.798   1.127   1.640
  443    HG   LEU  54           HG       LEU  54   0.411  -0.689   0.705
  444   1HD1  LEU  54          HD11      LEU  54   0.859  -0.119  -1.728
  445   2HD1  LEU  54          HD12      LEU  54   2.196   0.867  -1.137
  446   3HD1  LEU  54          HD13      LEU  54   0.544   1.230  -0.635
  447   1HD2  LEU  54          HD21      LEU  54   2.293  -2.380   0.757
  448   2HD2  LEU  54          HD22      LEU  54   2.872  -1.635  -0.733
  449   3HD2  LEU  54          HD23      LEU  54   1.275  -2.382  -0.683
  450    H    GLN  55           HN       GLN  55   4.707   1.187   3.218
  451    HA   GLN  55           HA       GLN  55   4.235   3.970   2.997
  452   1HB   GLN  55          HB1       GLN  55   5.469   2.144   4.925
  453   2HB   GLN  55          HB2       GLN  55   6.221   3.732   4.884
  454   1HG   GLN  55          HG2       GLN  55   3.251   3.476   5.072
  455   2HG   GLN  55          HG1       GLN  55   4.260   3.286   6.505
  456   1HE2  GLN  55          HE22      GLN  55   5.124   5.046   7.457
  457   2HE2  GLN  55          HE21      GLN  55   4.865   6.667   6.923
  458    H    GLU  56           HN       GLU  56   6.540   5.194   3.824
  459    HA   GLU  56           HA       GLU  56   7.970   5.442   1.344
  460   1HB   GLU  56          HB1       GLU  56   7.375   7.346   2.914
  461   2HB   GLU  56          HB2       GLU  56   8.647   6.756   3.976
  462   1HG   GLU  56          HG2       GLU  56  10.140   7.909   2.834
  463   2HG   GLU  56          HG1       GLU  56   9.742   6.995   1.379
  464    H    GLU  57           HN       GLU  57   9.246   3.714   0.903
  465    HA   GLU  57           HA       GLU  57  10.833   2.419   2.911
  466   1HB   GLU  57          HB1       GLU  57   9.851   1.630   0.505
  467   2HB   GLU  57          HB2       GLU  57  11.517   1.987   0.069
  468   1HG   GLU  57          HG2       GLU  57  12.329   0.441   1.732
  469   2HG   GLU  57          HG1       GLU  57  10.687   0.147   2.301
  470    H    LYS  58           HN       LYS  58  13.137   2.288   2.939
  471    HA   LYS  58           HA       LYS  58  14.392   4.826   2.475
  472   1HB   LYS  58          HB2       LYS  58  14.739   3.163   4.450
  473   2HB   LYS  58          HB1       LYS  58  15.855   2.360   3.352
  474   1HG   LYS  58          HG2       LYS  58  17.269   4.246   3.251
  475   2HG   LYS  58          HG1       LYS  58  16.064   5.280   4.021
  476   1HD   LYS  58          HD2       LYS  58  17.205   4.869   5.907
  477   2HD   LYS  58          HD1       LYS  58  16.384   3.307   5.880
  478   1HE   LYS  58          HE2       LYS  58  18.328   2.263   5.655
  479   2HE   LYS  58          HE1       LYS  58  18.660   3.166   4.178
  480   1HZ   LYS  58          HZ1       LYS  58  19.665   4.905   5.454
  481   2HZ   LYS  58          HZ2       LYS  58  20.377   3.439   5.904
  482   3HZ   LYS  58          HZ3       LYS  58  19.230   4.167   6.913
  483    H    TYR  59           HN       TYR  59  13.574   3.426   0.086
  484    HA   TYR  59           HA       TYR  59  16.039   2.468  -1.114
  485   1HB   TYR  59          HB1       TYR  59  14.747   1.518  -2.747
  486   2HB   TYR  59          HB2       TYR  59  13.541   1.619  -1.471
  487    HD1  TYR  59           HD1      TYR  59  14.241   2.370  -4.838
  488    HD2  TYR  59           HD2      TYR  59  12.108   3.824  -1.456
  489    HE1  TYR  59           HE1      TYR  59  12.789   3.684  -6.325
  490    HE2  TYR  59           HE2      TYR  59  10.650   5.141  -2.934
  491    HH   TYR  59           HH       TYR  59  11.322   5.529  -6.310
  492    H    GLY  60           HN       GLY  60  14.392   5.402  -0.751
  493   1HA   GLY  60          HA1       GLY  60  15.823   6.560  -3.062
  494   2HA   GLY  60          HA2       GLY  60  14.326   7.206  -2.408
  495    H    SER  61           HN       SER  61  16.465   6.132  -0.010
  496    HA   SER  61           HA       SER  61  16.995   8.877   0.780
  497   1HB   SER  61          HB2       SER  61  16.219   7.038   2.376
  498   2HB   SER  61          HB1       SER  61  17.853   6.384   2.253
  499    HG   SER  61           HG       SER  61  18.507   8.623   2.868
  500    H    CYS  62           HN       CYS  62  18.430   9.198  -1.107
  501    HA   CYS  62           HA       CYS  62  21.007   7.874  -1.019
  502   1HB   CYS  62          HB2       CYS  62  19.582   8.798  -3.094
  503   2HB   CYS  62          HB1       CYS  62  20.562  10.226  -2.782
  504    HG   CYS  62           HG       CYS  62  22.455   7.988  -2.959
  505    H    HIS  63           HN       HIS  63  23.011   8.993  -0.788
  506    HA   HIS  63           HA       HIS  63  22.943  11.681   0.325
  507   1HB   HIS  63          HB2       HIS  63  22.851   9.558   2.066
  508   2HB   HIS  63          HB1       HIS  63  24.580   9.872   1.962
  509    HD2  HIS  63           HD2      HIS  63  21.651  12.514   2.202
  510    HE1  HIS  63           HE1      HIS  63  24.430  13.102   5.341
  511    HE2  HIS  63           HE2      HIS  63  22.316  13.972   4.244
  512    H    PHE  64           HN       PHE  64  23.949  11.363  -2.035
  513    HA   PHE  64           HA       PHE  64  26.612  10.433  -2.216
  514   1HB   PHE  64          HB2       PHE  64  24.685  11.709  -3.950
  515   2HB   PHE  64          HB1       PHE  64  26.277  12.429  -4.168
  516    HD1  PHE  64           HD1      PHE  64  24.295   9.365  -4.464
  517    HD2  PHE  64           HD2      PHE  64  28.098  11.167  -5.096
  518    HE1  PHE  64           HE1      PHE  64  24.955   7.463  -5.878
  519    HE2  PHE  64           HE2      PHE  64  28.767   9.267  -6.511
  520    HZ   PHE  64           HZ       PHE  64  27.194   7.413  -6.904
  521    H    THR  65           HN       THR  65  25.976  13.780  -3.054
  522    HA   THR  65           HA       THR  65  28.266  14.567  -1.406
  523    HB   THR  65           HB       THR  65  26.968  16.465  -3.302
  524    HG1  THR  65           HG1      THR  65  28.358  15.442  -4.956
  525   1HG2  THR  65          HG21      THR  65  29.013  17.422  -3.508
  526   2HG2  THR  65          HG22      THR  65  29.876  15.907  -3.238
  527   3HG2  THR  65          HG23      THR  65  29.155  16.767  -1.877
  528    H    ASN  66           HN       ASN  66  27.683  15.142   0.592
  529    HA   ASN  66           HA       ASN  66  25.130  16.291   1.191
  530   1HB   ASN  66          HB2       ASN  66  26.936  14.896   2.659
  531   2HB   ASN  66          HB1       ASN  66  27.292  16.536   3.193
  532   1HD2  ASN  66          HD21      ASN  66  26.517  16.180   5.250
  533   2HD2  ASN  66          HD22      ASN  66  24.832  16.014   5.593
  534    HA   PRO  67           HA       PRO  67  26.121  20.518   0.267
  535   1HB   PRO  67          HB1       PRO  67  24.042  21.147   2.279
  536   2HB   PRO  67          HB2       PRO  67  24.140  21.612   0.578
  537   1HG   PRO  67          HG2       PRO  67  22.402  19.759   1.401
  538   2HG   PRO  67          HG1       PRO  67  23.235  19.610  -0.158
  539   1HD   PRO  67          HD2       PRO  67  23.790  18.215   2.433
  540   2HD   PRO  67          HD1       PRO  67  23.828  17.575   0.776
  541    H    SER  68           HN       SER  68  25.581  19.594   3.657
  542    HA   SER  68           HA       SER  68  27.173  21.796   4.632
  543   1HB   SER  68          HB2       SER  68  26.303  19.478   6.333
  544   2HB   SER  68          HB1       SER  68  26.477  21.177   6.773
  545    HG   SER  68           HG       SER  68  24.666  21.517   5.251
  546    H    LYS  69           HN       LYS  69  28.064  19.103   3.115
  547    HA   LYS  69           HA       LYS  69  30.200  18.281   4.906
  548   1HB   LYS  69          HB1       LYS  69  28.822  17.134   2.642
  549   2HB   LYS  69          HB2       LYS  69  30.562  17.064   2.399
  550   1HG   LYS  69          HG1       LYS  69  30.305  16.227   4.991
  551   2HG   LYS  69          HG2       LYS  69  28.859  15.562   4.227
  552   1HD   LYS  69          HD1       LYS  69  30.305  14.595   2.454
  553   2HD   LYS  69          HD2       LYS  69  31.716  15.163   3.347
  554   1HE   LYS  69          HE1       LYS  69  29.869  13.653   5.008
  555   2HE   LYS  69          HE2       LYS  69  30.473  12.717   3.643
  556   1HZ   LYS  69          HZ1       LYS  69  32.749  13.430   4.341
  557   2HZ   LYS  69          HZ2       LYS  69  31.966  12.397   5.428
  558   3HZ   LYS  69          HZ3       LYS  69  32.064  14.054   5.755
  559    H    ARG  70           HN       ARG  70  31.981  19.471   4.995
  560    HA   ARG  70           HA       ARG  70  32.771  21.164   2.791
  561   1HB   ARG  70          HB1       ARG  70  32.961  21.901   5.158
  562   2HB   ARG  70          HB2       ARG  70  34.173  20.656   5.423
  563   1HG   ARG  70          HG1       ARG  70  35.103  22.048   3.216
  564   2HG   ARG  70          HG2       ARG  70  34.451  23.294   4.282
  565   1HD   ARG  70          HD1       ARG  70  36.404  21.156   5.120
  566   2HD   ARG  70          HD2       ARG  70  36.845  22.808   4.689
  567    HE   ARG  70           HE       ARG  70  35.230  22.042   7.031
  568   1HH1  ARG  70          HH11      ARG  70  37.315  24.275   5.354
  569   2HH1  ARG  70          HH12      ARG  70  37.472  25.344   6.708
  570   1HH2  ARG  70          HH21      ARG  70  35.431  23.444   8.816
  571   2HH2  ARG  70          HH22      ARG  70  36.401  24.872   8.675
  572    H    GLU  71           HN       GLU  71  33.348  19.752   1.144
  573    HA   GLU  71           HA       GLU  71  35.445  17.793   1.634
  574   1HB   GLU  71          HB1       GLU  71  33.576  18.392  -0.618
  575   2HB   GLU  71          HB2       GLU  71  35.071  17.537  -0.975
  576   1HG   GLU  71          HG1       GLU  71  34.077  16.197   1.218
  577   2HG   GLU  71          HG2       GLU  71  32.635  16.590   0.282
  Start of MODEL   12
    1   1H    MET   1          HT1       MET   1 -10.346 -12.154   5.933
    2   2H    MET   1          HT2       MET   1  -9.764 -11.605   7.451
    3   3H    MET   1          HT3       MET   1  -9.481 -13.224   6.960
    4    HA   MET   1           HA       MET   1  -7.516 -12.420   6.415
    5   1HB   MET   1          HB1       MET   1  -9.133 -11.386   4.077
    6   2HB   MET   1          HB2       MET   1  -7.452 -11.903   4.051
    7   1HG   MET   1          HG2       MET   1  -9.829 -13.669   4.589
    8   2HG   MET   1          HG1       MET   1  -8.929 -13.576   3.076
    9   1HE   MET   1          HE1       MET   1  -9.606 -15.864   5.662
   10   2HE   MET   1          HE2       MET   1  -8.894 -14.741   6.820
   11   3HE   MET   1          HE3       MET   1  -8.123 -16.296   6.511
   12    H    TYR   2           HN       TYR   2  -6.456 -10.406   5.028
   13    HA   TYR   2           HA       TYR   2  -7.421  -7.919   6.257
   14   1HB   TYR   2          HB2       TYR   2  -4.792  -9.239   6.632
   15   2HB   TYR   2          HB1       TYR   2  -4.756  -7.499   6.373
   16    HD1  TYR   2           HD1      TYR   2  -5.111  -6.053   8.161
   17    HD2  TYR   2           HD2      TYR   2  -6.374 -10.102   8.492
   18    HE1  TYR   2           HE1      TYR   2  -5.660  -5.681  10.530
   19    HE2  TYR   2           HE2      TYR   2  -6.926  -9.742  10.860
   20    HH   TYR   2           HH       TYR   2  -6.443  -6.576  12.401
   21    H    ILE   3           HN       ILE   3  -6.777  -5.998   5.188
   22    HA   ILE   3           HA       ILE   3  -5.775  -6.365   2.442
   23    HB   ILE   3           HB       ILE   3  -7.329  -4.495   1.781
   24   1HG1  ILE   3          HG12      ILE   3  -9.002  -5.190   4.162
   25   2HG1  ILE   3          HG11      ILE   3  -7.711  -4.007   4.350
   26   1HG2  ILE   3          HG21      ILE   3  -8.018  -7.270   2.362
   27   2HG2  ILE   3          HG22      ILE   3  -8.255  -6.322   0.894
   28   3HG2  ILE   3          HG23      ILE   3  -9.415  -6.203   2.217
   29   1HD1  ILE   3          HD11      ILE   3  -9.812  -3.773   2.225
   30   2HD1  ILE   3          HD12      ILE   3  -8.699  -2.535   2.811
   31   3HD1  ILE   3          HD13      ILE   3 -10.008  -3.105   3.845
   32    H    ILE   4           HN       ILE   4  -4.905  -4.353   1.490
   33    HA   ILE   4           HA       ILE   4  -3.945  -2.462   3.534
   34    HB   ILE   4           HB       ILE   4  -2.398  -3.885   1.403
   35   1HG1  ILE   4          HG11      ILE   4  -0.726  -3.520   3.491
   36   2HG1  ILE   4          HG12      ILE   4  -2.270  -3.438   4.333
   37   1HG2  ILE   4          HG21      ILE   4  -2.136  -1.053   2.044
   38   2HG2  ILE   4          HG22      ILE   4  -1.461  -1.984   0.705
   39   3HG2  ILE   4          HG23      ILE   4  -0.642  -1.967   2.270
   40   1HD1  ILE   4          HD11      ILE   4  -1.532  -5.700   2.507
   41   2HD1  ILE   4          HD12      ILE   4  -2.849  -5.626   3.679
   42   3HD1  ILE   4          HD13      ILE   4  -1.176  -5.695   4.234
   43    H    PHE   5           HN       PHE   5  -3.690  -0.289   2.841
   44    HA   PHE   5           HA       PHE   5  -4.687   0.391   0.180
   45   1HB   PHE   5          HB1       PHE   5  -6.036   2.242   1.651
   46   2HB   PHE   5          HB2       PHE   5  -6.740   0.754   1.040
   47    HD1  PHE   5           HD1      PHE   5  -5.670   2.573   3.972
   48    HD2  PHE   5           HD2      PHE   5  -7.076  -1.170   2.526
   49    HE1  PHE   5           HE1      PHE   5  -6.237   1.908   6.266
   50    HE2  PHE   5           HE2      PHE   5  -7.645  -1.846   4.822
   51    HZ   PHE   5           HZ       PHE   5  -7.222  -0.301   6.696
   52    H    ARG   6           HN       ARG   6  -4.972   3.158   0.590
   53    HA   ARG   6           HA       ARG   6  -2.404   4.035   1.683
   54   1HB   ARG   6          HB2       ARG   6  -3.255   4.259  -1.188
   55   2HB   ARG   6          HB1       ARG   6  -2.154   5.437  -0.488
   56   1HG   ARG   6          HG2       ARG   6  -1.208   2.851   0.187
   57   2HG   ARG   6          HG1       ARG   6  -1.573   2.873  -1.540
   58   1HD   ARG   6          HD1       ARG   6  -0.195   5.273  -0.618
   59   2HD   ARG   6          HD2       ARG   6   0.736   3.797  -0.370
   60    HE   ARG   6           HE       ARG   6  -0.242   3.705  -2.962
   61   1HH1  ARG   6          HH11      ARG   6   1.895   5.712  -1.077
   62   2HH1  ARG   6          HH12      ARG   6   2.865   6.177  -2.434
   63   1HH2  ARG   6          HH22      ARG   6   1.031   4.313  -4.754
   64   2HH2  ARG   6          HH21      ARG   6   2.374   5.382  -4.524
   65    H    CYS   7           HN       CYS   7  -2.676   5.794   2.878
   66    HA   CYS   7           HA       CYS   7  -5.118   7.306   2.758
   67   1HB   CYS   7          HB2       CYS   7  -3.866   6.774   4.890
   68   2HB   CYS   7          HB1       CYS   7  -2.654   7.944   4.378
   69    HG   CYS   7           HG       CYS   7  -5.180   9.421   4.379
   70    H    ASP   8           HN       ASP   8  -5.094   9.693   2.567
   71    HA   ASP   8           HA       ASP   8  -4.016  10.503   0.153
   72   1HB   ASP   8          HB2       ASP   8  -4.631  12.838   0.913
   73   2HB   ASP   8          HB1       ASP   8  -5.926  11.648   0.998
   74    H    CYS   9           HN       CYS   9  -2.548  10.487   3.265
   75    HA   CYS   9           HA       CYS   9  -0.528  12.446   2.711
   76   1HB   CYS   9          HB2       CYS   9  -0.658  10.227   4.764
   77   2HB   CYS   9          HB1       CYS   9   0.600  11.458   4.709
   78    HG   CYS   9           HG       CYS   9  -1.483  13.194   5.090
   79    H    GLY  10           HN       GLY  10  -1.160   9.696   1.204
   80   1HA   GLY  10          HA2       GLY  10   0.088   8.484  -0.321
   81   2HA   GLY  10          HA1       GLY  10   1.515   9.376   0.191
   82    H    ARG  11           HN       ARG  11  -0.203   8.097   2.790
   83    HA   ARG  11           HA       ARG  11   1.929   6.172   3.269
   84   1HB   ARG  11          HB2       ARG  11   1.277   6.131   5.507
   85   2HB   ARG  11          HB1       ARG  11   0.983   7.794   5.020
   86   1HG   ARG  11          HG1       ARG  11  -1.249   7.620   5.268
   87   2HG   ARG  11          HG2       ARG  11  -1.290   5.936   4.744
   88   1HD   ARG  11          HD2       ARG  11  -0.735   7.070   7.450
   89   2HD   ARG  11          HD1       ARG  11  -1.815   5.755   6.985
   90    HE   ARG  11           HE       ARG  11   0.356   4.510   6.501
   91   1HH1  ARG  11          HH11      ARG  11   0.027   6.946   8.972
   92   2HH1  ARG  11          HH12      ARG  11   1.276   6.281   9.973
   93   1HH2  ARG  11          HH21      ARG  11   1.999   3.630   7.812
   94   2HH2  ARG  11          HH22      ARG  11   2.396   4.397   9.313
   95    H    ALA  12           HN       ALA  12   0.544   4.304   4.836
   96    HA   ALA  12           HA       ALA  12  -1.550   3.127   3.223
   97   1HB   ALA  12          HB1       ALA  12   0.174   0.968   3.458
   98   2HB   ALA  12          HB2       ALA  12   1.211   2.298   2.944
   99   3HB   ALA  12          HB3       ALA  12  -0.202   1.859   1.984
  100    H    LEU  13           HN       LEU  13  -2.663   1.419   4.303
  101    HA   LEU  13           HA       LEU  13  -1.765   0.792   7.018
  102   1HB   LEU  13          HB1       LEU  13  -4.197   2.322   6.297
  103   2HB   LEU  13          HB2       LEU  13  -4.373   1.107   7.547
  104    HG   LEU  13           HG       LEU  13  -2.059   2.875   7.922
  105   1HD1  LEU  13          HD21      LEU  13  -3.864   4.354   6.895
  106   2HD1  LEU  13          HD22      LEU  13  -3.201   4.849   8.453
  107   3HD1  LEU  13          HD23      LEU  13  -4.777   4.061   8.376
  108   1HD2  LEU  13          HD11      LEU  13  -2.397   1.716   9.821
  109   2HD2  LEU  13          HD12      LEU  13  -4.115   1.479   9.497
  110   3HD2  LEU  13          HD13      LEU  13  -3.548   3.008  10.166
  111    H    TYR  14           HN       TYR  14  -3.782  -0.659   7.985
  112    HA   TYR  14           HA       TYR  14  -4.469  -2.671   5.956
  113   1HB   TYR  14          HB2       TYR  14  -3.856  -4.431   7.695
  114   2HB   TYR  14          HB1       TYR  14  -2.513  -3.605   6.911
  115    HD1  TYR  14           HD1      TYR  14  -4.322  -4.101  10.045
  116    HD2  TYR  14           HD2      TYR  14  -1.137  -2.011   8.149
  117    HE1  TYR  14           HE1      TYR  14  -3.426  -3.478  12.248
  118    HE2  TYR  14           HE2      TYR  14  -0.232  -1.384  10.348
  119    HH   TYR  14           HH       TYR  14  -1.893  -1.464  13.111
  120    H    SER  15           HN       SER  15  -6.389  -3.745   6.296
  121    HA   SER  15           HA       SER  15  -7.796  -3.534   8.811
  122   1HB   SER  15          HB1       SER  15  -8.317  -1.385   7.563
  123   2HB   SER  15          HB2       SER  15  -9.129  -2.379   6.355
  124    HG   SER  15           HG       SER  15  -9.810  -1.959   9.059
  125    H    ARG  16           HN       ARG  16 -10.295  -4.303   8.096
  126    HA   ARG  16           HA       ARG  16  -9.874  -7.036   7.332
  127   1HB   ARG  16          HB2       ARG  16 -11.932  -5.509   8.634
  128   2HB   ARG  16          HB1       ARG  16 -12.639  -6.474   7.345
  129   1HG   ARG  16          HG2       ARG  16 -10.872  -8.184   8.667
  130   2HG   ARG  16          HG1       ARG  16 -11.708  -7.287   9.937
  131   1HD   ARG  16          HD2       ARG  16 -12.921  -8.957   7.746
  132   2HD   ARG  16          HD1       ARG  16 -12.994  -9.237   9.485
  133    HE   ARG  16           HE       ARG  16 -14.386  -7.052   8.081
  134   1HH1  ARG  16          HH22      ARG  16 -14.102  -9.300  10.728
  135   2HH1  ARG  16          HH21      ARG  16 -15.614  -8.849  11.442
  136   1HH2  ARG  16          HH12      ARG  16 -16.378  -6.452   9.015
  137   2HH2  ARG  16          HH11      ARG  16 -16.907  -7.230  10.468
  138    H    GLU  17           HN       GLU  17 -10.624  -8.104   5.521
  139    HA   GLU  17           HA       GLU  17 -10.494  -6.787   3.076
  140   1HB   GLU  17          HB1       GLU  17 -10.350  -9.333   3.708
  141   2HB   GLU  17          HB2       GLU  17 -12.071  -9.317   3.351
  142   1HG   GLU  17          HG1       GLU  17 -11.599  -8.477   1.107
  143   2HG   GLU  17          HG2       GLU  17  -9.874  -8.500   1.465
  144    H    GLY  18           HN       GLY  18 -11.839  -5.196   2.473
  145   1HA   GLY  18          HA2       GLY  18 -14.187  -5.256   1.379
  146   2HA   GLY  18          HA1       GLY  18 -14.710  -5.497   3.038
  147    H    ALA  19           HN       ALA  19 -12.132  -3.583   3.407
  148    HA   ALA  19           HA       ALA  19 -13.727  -1.250   3.863
  149   1HB   ALA  19          HB1       ALA  19 -11.346  -0.259   4.295
  150   2HB   ALA  19          HB2       ALA  19 -10.856  -1.952   4.249
  151   3HB   ALA  19          HB3       ALA  19 -12.052  -1.412   5.426
  152    H    LYS  20           HN       LYS  20 -14.379   0.038   2.272
  153    HA   LYS  20           HA       LYS  20 -12.831   0.251  -0.184
  154   1HB   LYS  20          HB2       LYS  20 -15.607   0.871   0.648
  155   2HB   LYS  20          HB1       LYS  20 -14.918   1.914  -0.588
  156   1HG   LYS  20          HG2       LYS  20 -16.099   0.155  -1.672
  157   2HG   LYS  20          HG1       LYS  20 -14.373  -0.120  -1.912
  158   1HD   LYS  20          HD2       LYS  20 -14.762  -2.197  -1.183
  159   2HD   LYS  20          HD1       LYS  20 -14.897  -1.476   0.423
  160   1HE   LYS  20          HE2       LYS  20 -16.904  -2.523   0.387
  161   2HE   LYS  20          HE1       LYS  20 -17.386  -1.047  -0.447
  162   1HZ   LYS  20          HZ1       LYS  20 -16.393  -3.371  -1.966
  163   2HZ   LYS  20          HZ2       LYS  20 -17.379  -2.101  -2.492
  164   3HZ   LYS  20          HZ3       LYS  20 -18.009  -3.295  -1.472
  165    H    THR  21           HN       THR  21 -14.003   2.321   2.434
  166    HA   THR  21           HA       THR  21 -11.844   4.195   1.852
  167    HB   THR  21           HB       THR  21 -13.628   6.059   2.331
  168    HG1  THR  21           HG1      THR  21 -15.434   4.642   0.886
  169   1HG2  THR  21          HG21      THR  21 -13.578   6.608   0.159
  170   2HG2  THR  21          HG22      THR  21 -14.087   5.005  -0.373
  171   3HG2  THR  21          HG23      THR  21 -12.405   5.295   0.071
  172    H    ARG  22           HN       ARG  22 -10.748   4.352   3.668
  173    HA   ARG  22           HA       ARG  22 -12.056   3.920   6.231
  174   1HB   ARG  22          HB1       ARG  22  -9.276   3.867   5.218
  175   2HB   ARG  22          HB2       ARG  22  -9.473   4.437   6.869
  176   1HG   ARG  22          HG2       ARG  22 -10.834   1.918   6.067
  177   2HG   ARG  22          HG1       ARG  22  -9.089   1.896   6.334
  178   1HD   ARG  22          HD1       ARG  22  -9.596   1.578   8.488
  179   2HD   ARG  22          HD2       ARG  22  -9.994   3.296   8.505
  180    HE   ARG  22           HE       ARG  22 -12.146   1.515   7.733
  181   1HH1  ARG  22          HH11      ARG  22 -10.588   3.283  10.300
  182   2HH1  ARG  22          HH12      ARG  22 -11.987   3.285  11.322
  183   1HH2  ARG  22          HH21      ARG  22 -13.992   1.514   9.071
  184   2HH2  ARG  22          HH22      ARG  22 -13.921   2.280  10.623
  185    H    LYS  23           HN       LYS  23 -10.747   5.452   7.989
  186    HA   LYS  23           HA       LYS  23 -10.741   8.208   7.082
  187   1HB   LYS  23          HB1       LYS  23 -13.119   7.695   7.644
  188   2HB   LYS  23          HB2       LYS  23 -12.611   7.312   9.284
  189   1HG   LYS  23          HG2       LYS  23 -12.136   9.517   9.794
  190   2HG   LYS  23          HG1       LYS  23 -11.977   9.981   8.098
  191   1HD   LYS  23          HD1       LYS  23 -14.583   9.051   8.311
  192   2HD   LYS  23          HD2       LYS  23 -14.323   9.961   9.800
  193   1HE   LYS  23          HE2       LYS  23 -13.322  11.256   7.362
  194   2HE   LYS  23          HE1       LYS  23 -15.073  11.057   7.433
  195   1HZ   LYS  23          HZ1       LYS  23 -13.314  12.647   9.162
  196   2HZ   LYS  23          HZ2       LYS  23 -14.744  12.022   9.814
  197   3HZ   LYS  23          HZ3       LYS  23 -14.805  13.056   8.477
  198    H    CYS  24           HN       CYS  24  -9.498   9.523   8.313
  199    HA   CYS  24           HA       CYS  24  -7.967   8.224  10.435
  200   1HB   CYS  24          HB2       CYS  24  -7.061   9.619   8.321
  201   2HB   CYS  24          HB1       CYS  24  -7.224  10.934   9.480
  202    HG   CYS  24           HG       CYS  24  -5.367   8.483   9.952
  203    H    VAL  25           HN       VAL  25  -8.550   8.578  12.434
  204    HA   VAL  25           HA       VAL  25 -10.452  10.532  13.198
  205    HB   VAL  25           HB       VAL  25 -10.682   9.136  14.892
  206   1HG1  VAL  25          HG21      VAL  25  -9.529   7.134  15.040
  207   2HG1  VAL  25          HG22      VAL  25  -7.999   7.860  14.548
  208   3HG1  VAL  25          HG23      VAL  25  -9.276   7.605  13.356
  209   1HG2  VAL  25          HG11      VAL  25  -7.908   9.681  15.880
  210   2HG2  VAL  25          HG12      VAL  25  -9.375   9.361  16.807
  211   3HG2  VAL  25          HG13      VAL  25  -9.185  10.895  15.959
  212    H    CYS  26           HN       CYS  26  -7.033  10.564  12.894
  213    HA   CYS  26           HA       CYS  26  -6.485  12.735  14.651
  214   1HB   CYS  26          HB2       CYS  26  -4.715  11.213  13.909
  215   2HB   CYS  26          HB1       CYS  26  -4.951  11.729  12.242
  216    HG   CYS  26           HG       CYS  26  -3.688  13.830  12.680
  217    H    GLY  27           HN       GLY  27  -7.790  12.473  11.471
  218   1HA   GLY  27          HA1       GLY  27  -9.071  14.549  10.858
  219   2HA   GLY  27          HA2       GLY  27  -7.557  15.398  11.124
  220    H    ARG  28           HN       ARG  28  -8.786  12.617   9.254
  221    HA   ARG  28           HA       ARG  28  -8.073  13.716   6.750
  222   1HB   ARG  28          HB2       ARG  28  -6.025  12.189   8.179
  223   2HB   ARG  28          HB1       ARG  28  -6.368  11.551   6.577
  224   1HG   ARG  28          HG1       ARG  28  -5.435  13.312   5.535
  225   2HG   ARG  28          HG2       ARG  28  -6.038  14.464   6.728
  226   1HD   ARG  28          HD1       ARG  28  -3.461  13.912   6.507
  227   2HD   ARG  28          HD2       ARG  28  -4.208  14.254   8.067
  228    HE   ARG  28           HE       ARG  28  -4.142  11.462   7.311
  229   1HH1  ARG  28          HH21      ARG  28  -2.553  14.063   9.001
  230   2HH1  ARG  28          HH22      ARG  28  -1.635  13.009  10.023
  231   1HH2  ARG  28          HH11      ARG  28  -2.938  10.068   8.654
  232   2HH2  ARG  28          HH12      ARG  28  -1.853  10.739   9.827
  233    H    THR  29           HN       THR  29  -7.724  11.555   5.179
  234    HA   THR  29           HA       THR  29  -9.703   9.539   5.903
  235    HB   THR  29           HB       THR  29  -9.906  11.250   3.416
  236    HG1  THR  29           HG1      THR  29 -12.101  11.487   4.460
  237   1HG2  THR  29          HG21      THR  29 -10.567   8.654   3.433
  238   2HG2  THR  29          HG22      THR  29 -11.432   9.880   2.507
  239   3HG2  THR  29          HG23      THR  29 -12.055   9.355   4.070
  240    H    VAL  30           HN       VAL  30  -9.150   7.559   5.184
  241    HA   VAL  30           HA       VAL  30  -6.798   7.376   3.440
  242    HB   VAL  30           HB       VAL  30  -7.995   5.123   5.036
  243   1HG1  VAL  30          HG21      VAL  30  -5.903   4.050   4.725
  244   2HG1  VAL  30          HG22      VAL  30  -5.165   5.521   4.092
  245   3HG1  VAL  30          HG23      VAL  30  -6.385   4.669   3.145
  246   1HG2  VAL  30          HG11      VAL  30  -7.464   6.415   6.816
  247   2HG2  VAL  30          HG12      VAL  30  -6.328   7.402   5.894
  248   3HG2  VAL  30          HG13      VAL  30  -5.843   5.810   6.476
  249    H    ASN  31           HN       ASN  31  -7.170   7.030   1.377
  250    HA   ASN  31           HA       ASN  31  -9.639   5.680   0.550
  251   1HB   ASN  31          HB1       ASN  31  -8.695   7.967  -0.388
  252   2HB   ASN  31          HB2       ASN  31  -7.741   6.898  -1.413
  253   1HD2  ASN  31          HD21      ASN  31  -8.616   6.406  -3.276
  254   2HD2  ASN  31          HD22      ASN  31 -10.305   6.392  -3.641
  255    H    VAL  32           HN       VAL  32  -9.544   3.558   0.141
  256    HA   VAL  32           HA       VAL  32  -7.087   2.162  -0.155
  257    HB   VAL  32           HB       VAL  32  -8.293   0.194  -0.303
  258   1HG1  VAL  32          HG11      VAL  32  -9.632   0.252   1.546
  259   2HG1  VAL  32          HG12      VAL  32 -10.445   1.735   1.047
  260   3HG1  VAL  32          HG13      VAL  32  -8.813   1.806   1.710
  261   1HG2  VAL  32          HG21      VAL  32 -10.528  -0.074  -1.115
  262   2HG2  VAL  32          HG22      VAL  32  -9.608   0.843  -2.309
  263   3HG2  VAL  32          HG23      VAL  32 -10.743   1.673  -1.244
  264    H    LYS  33           HN       LYS  33  -7.348   0.405  -2.211
  265    HA   LYS  33           HA       LYS  33  -6.330   1.809  -4.393
  266   1HB   LYS  33          HB2       LYS  33  -6.766  -0.889  -3.704
  267   2HB   LYS  33          HB1       LYS  33  -7.555  -0.651  -5.257
  268   1HG   LYS  33          HG2       LYS  33  -4.814   0.425  -4.947
  269   2HG   LYS  33          HG1       LYS  33  -5.001  -1.328  -5.041
  270   1HD   LYS  33          HD2       LYS  33  -6.640  -0.149  -7.042
  271   2HD   LYS  33          HD1       LYS  33  -5.031   0.568  -7.152
  272   1HE   LYS  33          HE2       LYS  33  -4.169  -1.296  -8.010
  273   2HE   LYS  33          HE1       LYS  33  -4.884  -2.286  -6.738
  274   1HZ   LYS  33          HZ1       LYS  33  -5.677  -2.044  -9.426
  275   2HZ   LYS  33          HZ2       LYS  33  -6.944  -1.514  -8.438
  276   3HZ   LYS  33          HZ3       LYS  33  -6.301  -3.064  -8.228
  277    H    ASP  34           HN       ASP  34  -7.383   1.340  -6.703
  278    HA   ASP  34           HA       ASP  34  -9.913   2.776  -6.662
  279   1HB   ASP  34          HB2       ASP  34  -7.691   2.506  -8.506
  280   2HB   ASP  34          HB1       ASP  34  -9.227   2.228  -9.323
  281    H    ARG  35           HN       ARG  35  -8.582  -0.297  -7.774
  282    HA   ARG  35           HA       ARG  35 -11.184  -1.232  -8.657
  283   1HB   ARG  35          HB2       ARG  35  -8.400  -2.344  -8.702
  284   2HB   ARG  35          HB1       ARG  35  -9.768  -3.429  -8.904
  285   1HG   ARG  35          HG2       ARG  35 -10.486  -1.682 -10.722
  286   2HG   ARG  35          HG1       ARG  35  -8.767  -1.282 -10.702
  287   1HD   ARG  35          HD1       ARG  35  -9.734  -4.110 -10.981
  288   2HD   ARG  35          HD2       ARG  35  -9.555  -3.047 -12.376
  289    HE   ARG  35           HE       ARG  35  -7.191  -3.097 -10.800
  290   1HH1  ARG  35          HH22      ARG  35  -8.998  -4.922 -13.155
  291   2HH1  ARG  35          HH21      ARG  35  -7.607  -5.744 -13.776
  292   1HH2  ARG  35          HH12      ARG  35  -5.352  -4.176 -11.611
  293   2HH2  ARG  35          HH11      ARG  35  -5.535  -5.321 -12.899
  294    H    ARG  36           HN       ARG  36  -9.398  -3.722  -7.229
  295    HA   ARG  36           HA       ARG  36 -11.389  -4.115  -5.198
  296   1HB   ARG  36          HB2       ARG  36  -8.801  -5.632  -5.547
  297   2HB   ARG  36          HB1       ARG  36 -10.254  -6.174  -4.718
  298   1HG   ARG  36          HG2       ARG  36 -11.135  -5.601  -7.273
  299   2HG   ARG  36          HG1       ARG  36  -9.548  -6.332  -7.522
  300   1HD   ARG  36          HD2       ARG  36 -12.003  -7.494  -6.283
  301   2HD   ARG  36          HD1       ARG  36 -10.929  -8.181  -7.500
  302    HE   ARG  36           HE       ARG  36 -10.656  -8.363  -4.646
  303   1HH1  ARG  36          HH22      ARG  36  -8.966  -8.465  -7.692
  304   2HH1  ARG  36          HH21      ARG  36  -7.654  -9.414  -7.078
  305   1HH2  ARG  36          HH11      ARG  36  -8.932  -9.610  -3.829
  306   2HH2  ARG  36          HH12      ARG  36  -7.634 -10.064  -4.882
  307    H    ILE  37           HN       ILE  37  -8.024  -4.690  -4.467
  308    HA   ILE  37           HA       ILE  37  -7.781  -2.418  -2.692
  309    HB   ILE  37           HB       ILE  37  -8.659  -5.011  -1.712
  310   1HG1  ILE  37          HG12      ILE  37  -9.553  -2.650  -1.256
  311   2HG1  ILE  37          HG11      ILE  37  -9.442  -3.749   0.115
  312   1HG2  ILE  37          HG21      ILE  37  -6.282  -3.840  -0.276
  313   2HG2  ILE  37          HG22      ILE  37  -6.207  -5.258  -1.324
  314   3HG2  ILE  37          HG23      ILE  37  -7.184  -5.297   0.142
  315   1HD1  ILE  37          HD11      ILE  37  -7.540  -1.522  -0.564
  316   2HD1  ILE  37          HD12      ILE  37  -7.322  -2.668   0.759
  317   3HD1  ILE  37          HD13      ILE  37  -8.699  -1.566   0.765
  318    H    PHE  38           HN       PHE  38  -5.640  -2.180  -1.847
  319    HA   PHE  38           HA       PHE  38  -3.633  -3.540  -3.477
  320   1HB   PHE  38          HB1       PHE  38  -3.849  -0.926  -2.829
  321   2HB   PHE  38          HB2       PHE  38  -2.812  -1.471  -1.515
  322    HD1  PHE  38           HD1      PHE  38  -3.018  -0.674  -5.025
  323    HD2  PHE  38           HD2      PHE  38  -0.621  -2.523  -2.034
  324    HE1  PHE  38           HE1      PHE  38  -1.066  -0.544  -6.515
  325    HE2  PHE  38           HE2      PHE  38   1.337  -2.396  -3.520
  326    HZ   PHE  38           HZ       PHE  38   1.116  -1.405  -5.764
  327    H    GLY  39           HN       GLY  39  -1.855  -4.627  -2.556
  328   1HA   GLY  39          HA1       GLY  39  -0.958  -6.190  -1.127
  329   2HA   GLY  39          HA2       GLY  39  -1.192  -4.939   0.085
  330    H    ARG  40           HN       ARG  40  -2.488  -7.858  -1.322
  331    HA   ARG  40           HA       ARG  40  -4.673  -7.921   0.612
  332   1HB   ARG  40          HB1       ARG  40  -4.702  -8.691  -1.938
  333   2HB   ARG  40          HB2       ARG  40  -4.144 -10.198  -1.229
  334   1HG   ARG  40          HG1       ARG  40  -6.543  -8.845  -0.092
  335   2HG   ARG  40          HG2       ARG  40  -6.685  -9.778  -1.583
  336   1HD   ARG  40          HD2       ARG  40  -5.380 -11.586  -0.192
  337   2HD   ARG  40          HD1       ARG  40  -6.041 -10.694   1.178
  338    HE   ARG  40           HE       ARG  40  -8.115 -11.530   0.685
  339   1HH1  ARG  40          HH21      ARG  40  -5.991 -12.071  -2.024
  340   2HH1  ARG  40          HH22      ARG  40  -7.116 -13.079  -2.870
  341   1HH2  ARG  40          HH12      ARG  40  -9.604 -12.855  -0.422
  342   2HH2  ARG  40          HH11      ARG  40  -9.170 -13.526  -1.960
  343    H    ALA  41           HN       ALA  41  -3.519  -8.184   2.519
  344    HA   ALA  41           HA       ALA  41  -1.754 -10.484   2.779
  345   1HB   ALA  41          HB1       ALA  41  -0.910  -8.495   3.749
  346   2HB   ALA  41          HB2       ALA  41  -1.382  -9.551   5.084
  347   3HB   ALA  41          HB3       ALA  41  -2.417  -8.197   4.618
  348    H    ASP  42           HN       ASP  42  -2.521 -12.393   3.379
  349    HA   ASP  42           HA       ASP  42  -5.144 -12.635   4.562
  350   1HB   ASP  42          HB1       ASP  42  -3.915 -15.149   4.616
  351   2HB   ASP  42          HB2       ASP  42  -5.042 -14.552   3.404
  352    H    ASP  43           HN       ASP  43  -1.790 -12.977   5.533
  353    HA   ASP  43           HA       ASP  43  -2.516 -13.896   8.197
  354   1HB   ASP  43          HB2       ASP  43  -0.412 -14.574   6.768
  355   2HB   ASP  43          HB1       ASP  43   0.268 -13.093   7.436
  356    H    PHE  44           HN       PHE  44  -2.630 -12.636   9.971
  357    HA   PHE  44           HA       PHE  44  -2.896  -9.872   9.786
  358   1HB   PHE  44          HB2       PHE  44  -2.846  -9.848  12.233
  359   2HB   PHE  44          HB1       PHE  44  -3.817 -11.193  11.645
  360    HD1  PHE  44           HD1      PHE  44  -2.918 -13.499  11.749
  361    HD2  PHE  44           HD2      PHE  44  -0.908 -10.201  13.538
  362    HE1  PHE  44           HE1      PHE  44  -1.589 -15.055  13.116
  363    HE2  PHE  44           HE2      PHE  44   0.424 -11.752  14.908
  364    HZ   PHE  44           HZ       PHE  44   0.084 -14.182  14.698
  365    H    GLU  45           HN       GLU  45  -0.094 -11.842  10.612
  366    HA   GLU  45           HA       GLU  45   1.610  -9.684  11.322
  367   1HB   GLU  45          HB2       GLU  45   2.321 -11.744  12.143
  368   2HB   GLU  45          HB1       GLU  45   2.006 -12.573  10.626
  369   1HG   GLU  45          HG1       GLU  45   4.343 -12.488  10.872
  370   2HG   GLU  45          HG2       GLU  45   3.927 -11.292   9.646
  371    H    GLU  46           HN       GLU  46   0.848 -11.334   8.319
  372    HA   GLU  46           HA       GLU  46   2.936 -10.209   6.769
  373   1HB   GLU  46          HB2       GLU  46   1.568 -12.242   6.175
  374   2HB   GLU  46          HB1       GLU  46   0.244 -11.155   5.773
  375   1HG   GLU  46          HG2       GLU  46   1.091 -10.741   3.771
  376   2HG   GLU  46          HG1       GLU  46   2.671 -10.348   4.450
  377    H    ALA  47           HN       ALA  47  -0.176  -9.055   7.781
  378    HA   ALA  47           HA       ALA  47  -0.653  -7.086   5.853
  379   1HB   ALA  47          HB1       ALA  47  -1.411  -7.219   8.763
  380   2HB   ALA  47          HB2       ALA  47  -2.393  -7.660   7.365
  381   3HB   ALA  47          HB3       ALA  47  -1.987  -5.970   7.660
  382    H    SER  48           HN       SER  48   0.923  -6.764   9.033
  383    HA   SER  48           HA       SER  48   1.617  -4.072   8.808
  384   1HB   SER  48          HB2       SER  48   1.751  -5.745  10.831
  385   2HB   SER  48          HB1       SER  48   3.405  -5.985  10.268
  386    HG   SER  48           HG       SER  48   2.612  -3.352  10.452
  387    H    GLU  49           HN       GLU  49   3.311  -6.968   7.730
  388    HA   GLU  49           HA       GLU  49   5.724  -5.648   7.021
  389   1HB   GLU  49          HB2       GLU  49   4.728  -8.314   7.040
  390   2HB   GLU  49          HB1       GLU  49   5.354  -7.986   5.431
  391   1HG   GLU  49          HG1       GLU  49   7.085  -7.098   7.622
  392   2HG   GLU  49          HG2       GLU  49   6.836  -8.842   7.529
  393    H    LEU  50           HN       LEU  50   2.750  -6.386   5.298
  394    HA   LEU  50           HA       LEU  50   3.703  -5.733   2.706
  395   1HB   LEU  50          HB1       LEU  50   1.215  -6.530   3.923
  396   2HB   LEU  50          HB2       LEU  50   0.939  -5.218   2.793
  397    HG   LEU  50           HG       LEU  50   2.091  -6.540   1.031
  398   1HD1  LEU  50          HD21      LEU  50   1.854  -9.091   2.375
  399   2HD1  LEU  50          HD22      LEU  50   3.026  -8.037   3.168
  400   3HD1  LEU  50          HD23      LEU  50   3.201  -8.419   1.455
  401   1HD2  LEU  50          HD11      LEU  50   0.159  -8.521   1.564
  402   2HD2  LEU  50          HD12      LEU  50   0.016  -7.115   0.510
  403   3HD2  LEU  50          HD13      LEU  50  -0.471  -7.001   2.200
  404    H    VAL  51           HN       VAL  51   1.978  -3.890   5.189
  405    HA   VAL  51           HA       VAL  51   1.628  -1.526   3.725
  406    HB   VAL  51           HB       VAL  51   1.979  -1.830   6.709
  407   1HG1  VAL  51          HG21      VAL  51   0.275   0.316   5.677
  408   2HG1  VAL  51          HG22      VAL  51   1.987   0.498   5.296
  409   3HG1  VAL  51          HG23      VAL  51   1.470   0.337   6.974
  410   1HG2  VAL  51          HG11      VAL  51  -0.545  -1.724   6.677
  411   2HG2  VAL  51          HG12      VAL  51   0.173  -3.214   6.064
  412   3HG2  VAL  51          HG13      VAL  51  -0.446  -2.004   4.939
  413    H    ARG  52           HN       ARG  52   4.324  -2.712   5.657
  414    HA   ARG  52           HA       ARG  52   5.811  -0.322   5.754
  415   1HB   ARG  52          HB1       ARG  52   6.565  -3.233   5.935
  416   2HB   ARG  52          HB2       ARG  52   7.791  -1.972   5.980
  417   1HG   ARG  52          HG2       ARG  52   5.528  -1.609   7.827
  418   2HG   ARG  52          HG1       ARG  52   6.584  -2.983   8.162
  419   1HD   ARG  52          HD1       ARG  52   7.379  -0.087   7.910
  420   2HD   ARG  52          HD2       ARG  52   7.401  -1.077   9.369
  421    HE   ARG  52           HE       ARG  52   9.059  -2.430   7.762
  422   1HH1  ARG  52          HH21      ARG  52   8.865   0.956   8.559
  423   2HH1  ARG  52          HH22      ARG  52  10.564   1.230   8.364
  424   1HH2  ARG  52          HH11      ARG  52  11.295  -2.079   7.502
  425   2HH2  ARG  52          HH12      ARG  52  11.945  -0.495   7.763
  426    H    LYS  53           HN       LYS  53   5.673  -2.946   3.398
  427    HA   LYS  53           HA       LYS  53   7.724  -1.906   1.707
  428   1HB   LYS  53          HB1       LYS  53   6.205  -4.249   1.810
  429   2HB   LYS  53          HB2       LYS  53   5.703  -3.467   0.318
  430   1HG   LYS  53          HG2       LYS  53   7.825  -3.587  -0.610
  431   2HG   LYS  53          HG1       LYS  53   8.605  -3.794   0.959
  432   1HD   LYS  53          HD1       LYS  53   6.729  -5.921   0.487
  433   2HD   LYS  53          HD2       LYS  53   7.867  -5.796  -0.857
  434   1HE   LYS  53          HE1       LYS  53   9.738  -5.923   0.685
  435   2HE   LYS  53          HE2       LYS  53   8.630  -5.970   2.056
  436   1HZ   LYS  53          HZ1       LYS  53   8.333  -8.001  -0.032
  437   2HZ   LYS  53          HZ2       LYS  53   8.043  -8.114   1.629
  438   3HZ   LYS  53          HZ3       LYS  53   9.630  -8.153   1.043
  439    H    LEU  54           HN       LEU  54   4.261  -1.511   2.009
  440    HA   LEU  54           HA       LEU  54   3.831  -0.086  -0.410
  441   1HB   LEU  54          HB1       LEU  54   2.300  -0.897   1.900
  442   2HB   LEU  54          HB2       LEU  54   1.935   0.766   1.486
  443    HG   LEU  54           HG       LEU  54   0.388  -0.850   0.443
  444   1HD1  LEU  54          HD11      LEU  54   1.140  -0.044  -2.034
  445   2HD1  LEU  54          HD12      LEU  54   2.007   1.108  -1.019
  446   3HD1  LEU  54          HD13      LEU  54   0.255   0.954  -0.880
  447   1HD2  LEU  54          HD21      LEU  54   1.571  -1.986  -1.655
  448   2HD2  LEU  54          HD22      LEU  54   1.428  -2.790  -0.092
  449   3HD2  LEU  54          HD23      LEU  54   2.935  -1.991  -0.537
  450    H    GLN  55           HN       GLN  55   5.280   0.739   2.560
  451    HA   GLN  55           HA       GLN  55   4.667   3.498   2.663
  452   1HB   GLN  55          HB1       GLN  55   6.844   1.806   3.856
  453   2HB   GLN  55          HB2       GLN  55   6.847   3.553   4.055
  454   1HG   GLN  55          HG1       GLN  55   4.615   3.416   5.080
  455   2HG   GLN  55          HG2       GLN  55   4.681   1.659   4.936
  456   1HE2  GLN  55          HE22      GLN  55   7.089   0.953   5.731
  457   2HE2  GLN  55          HE21      GLN  55   7.409   1.459   7.351
  458    H    GLU  56           HN       GLU  56   7.101   4.793   2.870
  459    HA   GLU  56           HA       GLU  56   7.684   5.279   0.105
  460   1HB   GLU  56          HB2       GLU  56   7.830   6.768   2.436
  461   2HB   GLU  56          HB1       GLU  56   9.517   6.501   2.020
  462   1HG   GLU  56          HG2       GLU  56   9.432   7.997   0.390
  463   2HG   GLU  56          HG1       GLU  56   7.990   7.255  -0.303
  464    H    GLU  57           HN       GLU  57   8.469   3.098  -0.372
  465    HA   GLU  57           HA       GLU  57  10.951   2.214   0.763
  466   1HB   GLU  57          HB2       GLU  57  10.768   0.338  -0.676
  467   2HB   GLU  57          HB1       GLU  57   9.129   0.718  -0.169
  468   1HG   GLU  57          HG1       GLU  57  10.171   1.846  -2.722
  469   2HG   GLU  57          HG2       GLU  57   9.649   0.164  -2.658
  470    H    LYS  58           HN       LYS  58  12.851   1.713  -0.648
  471    HA   LYS  58           HA       LYS  58  13.637   4.091  -2.043
  472   1HB   LYS  58          HB1       LYS  58  15.005   2.295  -0.558
  473   2HB   LYS  58          HB2       LYS  58  15.372   1.698  -2.169
  474   1HG   LYS  58          HG2       LYS  58  16.628   3.508  -2.708
  475   2HG   LYS  58          HG1       LYS  58  15.683   4.605  -1.700
  476   1HD   LYS  58          HD2       LYS  58  16.692   3.420   0.298
  477   2HD   LYS  58          HD1       LYS  58  17.807   2.656  -0.838
  478   1HE   LYS  58          HE1       LYS  58  17.509   5.584  -0.216
  479   2HE   LYS  58          HE2       LYS  58  18.920   4.557   0.040
  480   1HZ   LYS  58          HZ1       LYS  58  19.516   5.593  -1.877
  481   2HZ   LYS  58          HZ2       LYS  58  17.927   5.766  -2.433
  482   3HZ   LYS  58          HZ3       LYS  58  18.704   4.267  -2.544
  483    H    TYR  59           HN       TYR  59  15.311   3.147  -4.029
  484    HA   TYR  59           HA       TYR  59  13.361   2.438  -6.065
  485   1HB   TYR  59          HB1       TYR  59  16.177   3.486  -6.120
  486   2HB   TYR  59          HB2       TYR  59  15.448   2.805  -7.572
  487    HD1  TYR  59           HD1      TYR  59  14.242   4.192  -8.982
  488    HD2  TYR  59           HD2      TYR  59  14.768   5.345  -4.920
  489    HE1  TYR  59           HE1      TYR  59  13.165   6.350  -9.461
  490    HE2  TYR  59           HE2      TYR  59  13.692   7.505  -5.388
  491    HH   TYR  59           HH       TYR  59  13.119   8.939  -7.134
  492    H    GLY  60           HN       GLY  60  15.780   0.925  -4.188
  493   1HA   GLY  60          HA1       GLY  60  15.286  -1.647  -4.675
  494   2HA   GLY  60          HA2       GLY  60  16.232  -1.230  -6.095
  495    H    SER  61           HN       SER  61  16.447  -0.560  -2.597
  496    HA   SER  61           HA       SER  61  19.328  -0.929  -2.717
  497   1HB   SER  61          HB1       SER  61  17.973   0.886  -1.364
  498   2HB   SER  61          HB2       SER  61  17.863  -0.398  -0.160
  499    HG   SER  61           HG       SER  61  19.846   1.226  -0.470
  500    H    CYS  62           HN       CYS  62  19.448  -3.169  -3.112
  501    HA   CYS  62           HA       CYS  62  18.429  -4.933  -1.006
  502   1HB   CYS  62          HB1       CYS  62  17.820  -5.734  -3.150
  503   2HB   CYS  62          HB2       CYS  62  19.426  -5.434  -3.805
  504    HG   CYS  62           HG       CYS  62  18.603  -8.030  -2.855
  505    H    HIS  63           HN       HIS  63  19.743  -6.165   0.268
  506    HA   HIS  63           HA       HIS  63  22.589  -5.467   0.220
  507   1HB   HIS  63          HB2       HIS  63  20.659  -6.244   2.329
  508   2HB   HIS  63          HB1       HIS  63  22.299  -6.853   2.524
  509    HD2  HIS  63           HD2      HIS  63  23.252  -5.219   4.440
  510    HE1  HIS  63           HE1      HIS  63  22.213  -1.571   2.561
  511    HE2  HIS  63           HE2      HIS  63  23.420  -2.630   4.523
  512    H    PHE  64           HN       PHE  64  24.040  -6.869  -0.512
  513    HA   PHE  64           HA       PHE  64  23.289  -9.480  -1.378
  514   1HB   PHE  64          HB1       PHE  64  26.098  -8.405  -1.077
  515   2HB   PHE  64          HB2       PHE  64  25.557  -9.703  -2.137
  516    HD1  PHE  64           HD1      PHE  64  24.136  -9.174  -4.102
  517    HD2  PHE  64           HD2      PHE  64  25.960  -6.141  -1.739
  518    HE1  PHE  64           HE1      PHE  64  23.791  -7.555  -5.921
  519    HE2  PHE  64           HE2      PHE  64  25.618  -4.515  -3.553
  520    HZ   PHE  64           HZ       PHE  64  24.531  -5.221  -5.648
  521    H    THR  65           HN       THR  65  22.554 -10.549   0.486
  522    HA   THR  65           HA       THR  65  24.504 -11.034   2.610
  523    HB   THR  65           HB       THR  65  21.731 -12.156   2.651
  524    HG1  THR  65           HG1      THR  65  20.960 -10.171   3.408
  525   1HG2  THR  65          HG21      THR  65  21.836 -11.841   4.979
  526   2HG2  THR  65          HG22      THR  65  23.265 -10.816   4.851
  527   3HG2  THR  65          HG23      THR  65  23.384 -12.541   4.503
  528    H    ASN  66           HN       ASN  66  24.978 -12.205   0.052
  529    HA   ASN  66           HA       ASN  66  24.146 -14.909  -0.044
  530   1HB   ASN  66          HB2       ASN  66  25.854 -13.158  -1.574
  531   2HB   ASN  66          HB1       ASN  66  26.635 -14.721  -1.347
  532   1HD2  ASN  66          HD21      ASN  66  26.359 -15.849  -3.127
  533   2HD2  ASN  66          HD22      ASN  66  24.872 -16.047  -3.984
  534    HA   PRO  67           HA       PRO  67  26.564 -16.913   3.050
  535   1HB   PRO  67          HB2       PRO  67  27.109 -18.988   0.989
  536   2HB   PRO  67          HB1       PRO  67  26.438 -19.163   2.614
  537   1HG   PRO  67          HG1       PRO  67  24.868 -19.342   0.472
  538   2HG   PRO  67          HG2       PRO  67  24.308 -18.526   1.944
  539   1HD   PRO  67          HD1       PRO  67  25.262 -17.349  -0.634
  540   2HD   PRO  67          HD2       PRO  67  23.959 -16.804   0.443
  541    H    SER  68           HN       SER  68  27.945 -16.949  -0.229
  542    HA   SER  68           HA       SER  68  30.643 -17.127   0.791
  543   1HB   SER  68          HB1       SER  68  31.080 -16.661  -1.785
  544   2HB   SER  68          HB2       SER  68  30.532 -18.240  -1.227
  545    HG   SER  68           HG       SER  68  29.147 -16.261  -2.620
  546    H    LYS  69           HN       LYS  69  28.425 -14.640  -0.028
  547    HA   LYS  69           HA       LYS  69  30.494 -12.639  -0.437
  548   1HB   LYS  69          HB1       LYS  69  27.495 -12.629  -0.571
  549   2HB   LYS  69          HB2       LYS  69  28.382 -11.113  -0.483
  550   1HG   LYS  69          HG2       LYS  69  29.191 -13.110  -2.533
  551   2HG   LYS  69          HG1       LYS  69  27.712 -12.180  -2.788
  552   1HD   LYS  69          HD1       LYS  69  28.913 -10.112  -2.651
  553   2HD   LYS  69          HD2       LYS  69  30.388 -10.945  -2.158
  554   1HE   LYS  69          HE1       LYS  69  30.937 -10.891  -4.325
  555   2HE   LYS  69          HE2       LYS  69  29.765 -12.196  -4.511
  556   1HZ   LYS  69          HZ1       LYS  69  29.286 -10.519  -6.109
  557   2HZ   LYS  69          HZ2       LYS  69  29.291  -9.299  -4.938
  558   3HZ   LYS  69          HZ3       LYS  69  28.066 -10.464  -4.940
  559    H    ARG  70           HN       ARG  70  31.384 -11.531   1.162
  560    HA   ARG  70           HA       ARG  70  30.317 -11.713   3.841
  561   1HB   ARG  70          HB1       ARG  70  32.859 -11.491   2.801
  562   2HB   ARG  70          HB2       ARG  70  32.558  -9.875   3.425
  563   1HG   ARG  70          HG1       ARG  70  32.619 -10.546   5.571
  564   2HG   ARG  70          HG2       ARG  70  31.834 -12.089   5.223
  565   1HD   ARG  70          HD2       ARG  70  34.720 -11.378   4.717
  566   2HD   ARG  70          HD1       ARG  70  34.105 -12.473   5.956
  567    HE   ARG  70           HE       ARG  70  33.409 -13.197   3.250
  568   1HH1  ARG  70          HH11      ARG  70  35.722 -13.528   5.836
  569   2HH1  ARG  70          HH12      ARG  70  36.364 -15.023   5.242
  570   1HH2  ARG  70          HH21      ARG  70  34.248 -15.165   2.462
  571   2HH2  ARG  70          HH22      ARG  70  35.527 -15.954   3.325
  572    H    GLU  71           HN       GLU  71  30.069  -9.781   5.207
  573    HA   GLU  71           HA       GLU  71  28.580  -7.735   3.766
  574   1HB   GLU  71          HB1       GLU  71  27.997  -9.018   6.050
  575   2HB   GLU  71          HB2       GLU  71  28.844  -7.632   6.722
  576   1HG   GLU  71          HG2       GLU  71  27.017  -6.696   4.759
  577   2HG   GLU  71          HG1       GLU  71  26.167  -7.807   5.833
  Start of MODEL   13
    1   1H    MET   1          HT1       MET   1  -8.435 -12.924   7.899
    2   2H    MET   1          HT2       MET   1  -8.689 -13.994   6.581
    3   3H    MET   1          HT3       MET   1  -9.568 -12.522   6.675
    4    HA   MET   1           HA       MET   1  -6.642 -12.676   6.468
    5   1HB   MET   1          HB2       MET   1  -7.563 -11.755   4.056
    6   2HB   MET   1          HB1       MET   1  -7.031 -13.399   4.370
    7   1HG   MET   1          HG1       MET   1  -9.114 -13.505   3.239
    8   2HG   MET   1          HG2       MET   1  -9.381 -13.992   4.911
    9   1HE   MET   1          HE1       MET   1 -12.746 -12.399   4.477
   10   2HE   MET   1          HE2       MET   1 -11.889 -13.150   5.823
   11   3HE   MET   1          HE3       MET   1 -11.778 -13.849   4.207
   12    H    TYR   2           HN       TYR   2  -6.038 -10.557   5.183
   13    HA   TYR   2           HA       TYR   2  -7.599  -8.297   6.220
   14   1HB   TYR   2          HB2       TYR   2  -4.631  -8.736   6.562
   15   2HB   TYR   2          HB1       TYR   2  -5.400  -7.169   6.778
   16    HD1  TYR   2           HD1      TYR   2  -4.078  -9.729   8.555
   17    HD2  TYR   2           HD2      TYR   2  -7.712  -7.529   8.318
   18    HE1  TYR   2           HE1      TYR   2  -4.573 -10.306  10.892
   19    HE2  TYR   2           HE2      TYR   2  -8.217  -8.101  10.654
   20    HH   TYR   2           HH       TYR   2  -7.417  -9.001  12.544
   21    H    ILE   3           HN       ILE   3  -7.003  -6.236   5.205
   22    HA   ILE   3           HA       ILE   3  -5.953  -6.557   2.471
   23    HB   ILE   3           HB       ILE   3  -7.656  -4.835   1.780
   24   1HG1  ILE   3          HG12      ILE   3  -9.284  -5.600   4.164
   25   2HG1  ILE   3          HG11      ILE   3  -8.049  -4.364   4.375
   26   1HG2  ILE   3          HG21      ILE   3  -8.973  -6.501   1.064
   27   2HG2  ILE   3          HG22      ILE   3  -9.333  -7.048   2.702
   28   3HG2  ILE   3          HG23      ILE   3  -7.841  -7.556   1.911
   29   1HD1  ILE   3          HD11      ILE   3 -10.431  -3.625   3.822
   30   2HD1  ILE   3          HD12      ILE   3 -10.069  -4.164   2.183
   31   3HD1  ILE   3          HD13      ILE   3  -9.101  -2.891   2.926
   32    H    ILE   4           HN       ILE   4  -5.090  -4.556   1.531
   33    HA   ILE   4           HA       ILE   4  -4.332  -2.583   3.585
   34    HB   ILE   4           HB       ILE   4  -2.628  -3.980   1.569
   35   1HG1  ILE   4          HG12      ILE   4  -1.092  -3.444   3.745
   36   2HG1  ILE   4          HG11      ILE   4  -2.691  -3.478   4.482
   37   1HG2  ILE   4          HG21      ILE   4  -0.985  -1.975   2.434
   38   2HG2  ILE   4          HG22      ILE   4  -2.503  -1.120   2.152
   39   3HG2  ILE   4          HG23      ILE   4  -1.760  -2.049   0.849
   40   1HD1  ILE   4          HD11      ILE   4  -1.361  -5.676   2.927
   41   2HD1  ILE   4          HD12      ILE   4  -3.038  -5.718   3.471
   42   3HD1  ILE   4          HD13      ILE   4  -1.730  -5.648   4.651
   43    H    PHE   5           HN       PHE   5  -4.283  -0.441   3.002
   44    HA   PHE   5           HA       PHE   5  -5.187   0.248   0.284
   45   1HB   PHE   5          HB1       PHE   5  -6.320   2.195   1.862
   46   2HB   PHE   5          HB2       PHE   5  -7.163   0.818   1.170
   47    HD1  PHE   5           HD1      PHE   5  -6.337   2.530   4.136
   48    HD2  PHE   5           HD2      PHE   5  -7.248  -1.334   2.602
   49    HE1  PHE   5           HE1      PHE   5  -6.961   1.784   6.392
   50    HE2  PHE   5           HE2      PHE   5  -7.874  -2.085   4.861
   51    HZ   PHE   5           HZ       PHE   5  -7.728  -0.521   6.756
   52    H    ARG   6           HN       ARG   6  -5.297   3.040   0.662
   53    HA   ARG   6           HA       ARG   6  -2.571   3.716   1.546
   54   1HB   ARG   6          HB2       ARG   6  -3.701   3.918  -1.189
   55   2HB   ARG   6          HB1       ARG   6  -2.719   5.270  -0.642
   56   1HG   ARG   6          HG1       ARG   6  -0.804   3.979  -0.469
   57   2HG   ARG   6          HG2       ARG   6  -1.712   2.468  -0.375
   58   1HD   ARG   6          HD1       ARG   6  -0.518   2.877  -2.550
   59   2HD   ARG   6          HD2       ARG   6  -2.244   2.537  -2.683
   60    HE   ARG   6           HE       ARG   6  -2.548   4.628  -3.550
   61   1HH1  ARG   6          HH11      ARG   6   0.557   4.508  -1.971
   62   2HH1  ARG   6          HH12      ARG   6   1.043   6.076  -2.526
   63   1HH2  ARG   6          HH21      ARG   6  -1.915   6.691  -4.285
   64   2HH2  ARG   6          HH22      ARG   6  -0.362   7.316  -3.842
   65    H    CYS   7           HN       CYS   7  -2.419   5.575   2.654
   66    HA   CYS   7           HA       CYS   7  -4.789   7.132   3.112
   67   1HB   CYS   7          HB2       CYS   7  -3.101   6.598   4.896
   68   2HB   CYS   7          HB1       CYS   7  -1.985   7.692   4.084
   69    HG   CYS   7           HG       CYS   7  -4.128   9.467   4.574
   70    H    ASP   8           HN       ASP   8  -4.756   9.531   2.902
   71    HA   ASP   8           HA       ASP   8  -4.228  10.285   0.269
   72   1HB   ASP   8          HB1       ASP   8  -5.820  11.327   2.060
   73   2HB   ASP   8          HB2       ASP   8  -4.429  12.332   2.455
   74    H    CYS   9           HN       CYS   9  -2.267  10.494   3.131
   75    HA   CYS   9           HA       CYS   9  -0.318  12.300   2.056
   76   1HB   CYS   9          HB2       CYS   9  -0.198  10.348   4.366
   77   2HB   CYS   9          HB1       CYS   9   1.063  11.519   3.989
   78    HG   CYS   9           HG       CYS   9  -1.786  12.410   4.869
   79    H    GLY  10           HN       GLY  10  -1.189   9.396   1.012
   80   1HA   GLY  10          HA1       GLY  10  -0.130   8.038  -0.564
   81   2HA   GLY  10          HA2       GLY  10   1.395   8.834  -0.188
   82    H    ARG  11           HN       ARG  11  -0.375   7.872   2.528
   83    HA   ARG  11           HA       ARG  11   1.643   5.919   3.224
   84   1HB   ARG  11          HB1       ARG  11  -0.816   6.568   4.835
   85   2HB   ARG  11          HB2       ARG  11   0.729   5.954   5.406
   86   1HG   ARG  11          HG1       ARG  11   0.402   8.674   4.171
   87   2HG   ARG  11          HG2       ARG  11   0.255   8.369   5.904
   88   1HD   ARG  11          HD1       ARG  11   2.576   7.214   5.606
   89   2HD   ARG  11          HD2       ARG  11   2.661   8.191   4.141
   90    HE   ARG  11           HE       ARG  11   2.187  10.121   5.751
   91   1HH1  ARG  11          HH11      ARG  11   3.978   7.253   6.592
   92   2HH1  ARG  11          HH12      ARG  11   4.930   8.046   7.802
   93   1HH2  ARG  11          HH21      ARG  11   3.435  11.174   7.343
   94   2HH2  ARG  11          HH22      ARG  11   4.622  10.275   8.229
   95    H    ALA  12           HN       ALA  12   0.103   4.194   4.819
   96    HA   ALA  12           HA       ALA  12  -1.893   2.917   3.179
   97   1HB   ALA  12          HB1       ALA  12  -0.276   1.807   2.014
   98   2HB   ALA  12          HB2       ALA  12  -0.449   0.710   3.384
   99   3HB   ALA  12          HB3       ALA  12   0.880   1.868   3.344
  100    H    LEU  13           HN       LEU  13  -2.954   1.139   4.286
  101    HA   LEU  13           HA       LEU  13  -2.218   0.734   7.078
  102   1HB   LEU  13          HB1       LEU  13  -4.728   2.062   6.159
  103   2HB   LEU  13          HB2       LEU  13  -4.783   1.030   7.574
  104    HG   LEU  13           HG       LEU  13  -2.879   3.352   7.308
  105   1HD1  LEU  13          HD21      LEU  13  -5.703   3.409   7.685
  106   2HD1  LEU  13          HD22      LEU  13  -4.558   4.749   7.680
  107   3HD1  LEU  13          HD23      LEU  13  -4.915   3.901   9.183
  108   1HD2  LEU  13          HD11      LEU  13  -3.318   2.971   9.945
  109   2HD2  LEU  13          HD12      LEU  13  -1.986   2.241   9.047
  110   3HD2  LEU  13          HD13      LEU  13  -3.458   1.316   9.350
  111    H    TYR  14           HN       TYR  14  -4.162  -0.770   8.043
  112    HA   TYR  14           HA       TYR  14  -4.796  -2.827   6.049
  113   1HB   TYR  14          HB2       TYR  14  -3.983  -4.603   7.521
  114   2HB   TYR  14          HB1       TYR  14  -2.682  -3.496   7.097
  115    HD1  TYR  14           HD1      TYR  14  -1.936  -1.789   8.793
  116    HD2  TYR  14           HD2      TYR  14  -4.573  -4.979   9.775
  117    HE1  TYR  14           HE1      TYR  14  -1.421  -1.472  11.177
  118    HE2  TYR  14           HE2      TYR  14  -4.066  -4.672  12.162
  119    HH   TYR  14           HH       TYR  14  -3.243  -2.885  13.654
  120    H    SER  15           HN       SER  15  -6.691  -3.873   6.362
  121    HA   SER  15           HA       SER  15  -8.051  -3.851   8.905
  122   1HB   SER  15          HB1       SER  15  -8.608  -1.619   7.808
  123   2HB   SER  15          HB2       SER  15  -9.465  -2.544   6.575
  124    HG   SER  15           HG       SER  15 -10.115  -2.084   9.239
  125    H    ARG  16           HN       ARG  16 -10.546  -4.631   8.209
  126    HA   ARG  16           HA       ARG  16 -10.077  -7.268   7.168
  127   1HB   ARG  16          HB1       ARG  16 -12.341  -7.739   7.738
  128   2HB   ARG  16          HB2       ARG  16 -11.702  -6.721   9.022
  129   1HG   ARG  16          HG1       ARG  16 -13.360  -5.291   8.723
  130   2HG   ARG  16          HG2       ARG  16 -12.845  -5.031   7.054
  131   1HD   ARG  16          HD2       ARG  16 -14.096  -7.316   6.669
  132   2HD   ARG  16          HD1       ARG  16 -14.950  -6.837   8.136
  133    HE   ARG  16           HE       ARG  16 -14.980  -5.414   5.570
  134   1HH1  ARG  16          HH21      ARG  16 -16.184  -5.824   8.814
  135   2HH1  ARG  16          HH22      ARG  16 -17.549  -4.787   8.576
  136   1HH2  ARG  16          HH11      ARG  16 -16.776  -4.045   5.249
  137   2HH2  ARG  16          HH12      ARG  16 -17.886  -3.775   6.551
  138    H    GLU  17           HN       GLU  17 -11.040  -8.196   5.332
  139    HA   GLU  17           HA       GLU  17 -10.908  -6.709   2.986
  140   1HB   GLU  17          HB1       GLU  17 -10.689  -9.137   3.018
  141   2HB   GLU  17          HB2       GLU  17 -12.367  -9.305   3.516
  142   1HG   GLU  17          HG2       GLU  17 -12.601  -7.839   1.227
  143   2HG   GLU  17          HG1       GLU  17 -11.223  -8.878   0.864
  144    H    GLY  18           HN       GLY  18 -12.169  -5.032   2.473
  145   1HA   GLY  18          HA1       GLY  18 -14.622  -4.959   1.540
  146   2HA   GLY  18          HA2       GLY  18 -14.993  -5.066   3.254
  147    H    ALA  19           HN       ALA  19 -12.290  -3.422   3.437
  148    HA   ALA  19           HA       ALA  19 -13.603  -0.913   3.800
  149   1HB   ALA  19          HB1       ALA  19 -11.869  -0.508   5.123
  150   2HB   ALA  19          HB2       ALA  19 -10.740  -0.671   3.778
  151   3HB   ALA  19          HB3       ALA  19 -11.232  -2.096   4.693
  152    H    LYS  20           HN       LYS  20 -14.233   0.248   2.098
  153    HA   LYS  20           HA       LYS  20 -12.625   0.327  -0.325
  154   1HB   LYS  20          HB1       LYS  20 -14.549   0.722  -1.390
  155   2HB   LYS  20          HB2       LYS  20 -15.337   0.376   0.142
  156   1HG   LYS  20          HG2       LYS  20 -14.407   3.143  -0.327
  157   2HG   LYS  20          HG1       LYS  20 -15.830   2.578  -1.204
  158   1HD   LYS  20          HD1       LYS  20 -15.548   2.219   1.760
  159   2HD   LYS  20          HD2       LYS  20 -16.211   3.701   1.064
  160   1HE   LYS  20          HE2       LYS  20 -17.702   1.951  -0.264
  161   2HE   LYS  20          HE1       LYS  20 -17.349   0.958   1.149
  162   1HZ   LYS  20          HZ1       LYS  20 -18.709   2.163   2.415
  163   2HZ   LYS  20          HZ2       LYS  20 -19.340   2.782   0.973
  164   3HZ   LYS  20          HZ3       LYS  20 -18.145   3.638   1.810
  165    H    THR  21           HN       THR  21 -13.688   2.417   2.280
  166    HA   THR  21           HA       THR  21 -11.453   4.187   1.723
  167    HB   THR  21           HB       THR  21 -13.023   6.200   2.095
  168    HG1  THR  21           HG1      THR  21 -14.875   4.957   2.617
  169   1HG2  THR  21          HG21      THR  21 -13.209   6.601  -0.141
  170   2HG2  THR  21          HG22      THR  21 -13.615   4.928  -0.523
  171   3HG2  THR  21          HG23      THR  21 -11.953   5.364  -0.122
  172    H    ARG  22           HN       ARG  22 -10.414   4.380   3.567
  173    HA   ARG  22           HA       ARG  22 -11.801   3.938   6.087
  174   1HB   ARG  22          HB1       ARG  22  -9.383   3.100   5.247
  175   2HB   ARG  22          HB2       ARG  22  -8.907   4.586   6.057
  176   1HG   ARG  22          HG1       ARG  22  -8.719   3.059   7.756
  177   2HG   ARG  22          HG2       ARG  22 -10.360   3.658   8.012
  178   1HD   ARG  22          HD1       ARG  22 -11.328   1.714   7.327
  179   2HD   ARG  22          HD2       ARG  22 -10.019   1.329   6.210
  180    HE   ARG  22           HE       ARG  22  -8.924   0.227   7.906
  181   1HH1  ARG  22          HH12      ARG  22 -11.589   2.047   9.220
  182   2HH1  ARG  22          HH11      ARG  22 -11.483   1.317  10.786
  183   1HH2  ARG  22          HH21      ARG  22  -8.778  -0.739   9.964
  184   2HH2  ARG  22          HH22      ARG  22  -9.886  -0.267  11.210
  185    H    LYS  23           HN       LYS  23 -10.625   5.391   7.930
  186    HA   LYS  23           HA       LYS  23 -10.441   8.168   7.104
  187   1HB   LYS  23          HB1       LYS  23 -12.895   7.594   7.510
  188   2HB   LYS  23          HB2       LYS  23 -12.465   7.393   9.203
  189   1HG   LYS  23          HG2       LYS  23 -12.739   9.563   9.509
  190   2HG   LYS  23          HG1       LYS  23 -11.419   9.879   8.380
  191   1HD   LYS  23          HD2       LYS  23 -12.818  10.532   6.758
  192   2HD   LYS  23          HD1       LYS  23 -13.933   9.198   7.063
  193   1HE   LYS  23          HE2       LYS  23 -13.867  11.307   9.118
  194   2HE   LYS  23          HE1       LYS  23 -14.509  11.790   7.549
  195   1HZ   LYS  23          HZ1       LYS  23 -15.534   9.761   9.421
  196   2HZ   LYS  23          HZ2       LYS  23 -15.896   9.647   7.772
  197   3HZ   LYS  23          HZ3       LYS  23 -16.364  11.017   8.648
  198    H    CYS  24           HN       CYS  24  -9.168   9.354   8.415
  199    HA   CYS  24           HA       CYS  24  -7.950   7.962  10.681
  200   1HB   CYS  24          HB2       CYS  24  -6.647   9.096   8.721
  201   2HB   CYS  24          HB1       CYS  24  -6.982  10.588   9.595
  202    HG   CYS  24           HG       CYS  24  -5.465   9.841  11.483
  203    H    VAL  25           HN       VAL  25  -8.535   8.443  12.676
  204    HA   VAL  25           HA       VAL  25 -10.421  10.470  13.266
  205    HB   VAL  25           HB       VAL  25  -8.723   9.217  15.391
  206   1HG1  VAL  25          HG11      VAL  25 -10.680   9.364  16.716
  207   2HG1  VAL  25          HG12      VAL  25 -11.693   9.687  15.310
  208   3HG1  VAL  25          HG13      VAL  25 -10.541  10.902  15.863
  209   1HG2  VAL  25          HG21      VAL  25  -9.650   7.618  13.452
  210   2HG2  VAL  25          HG22      VAL  25 -11.089   7.702  14.469
  211   3HG2  VAL  25          HG23      VAL  25  -9.565   7.128  15.145
  212    H    CYS  26           HN       CYS  26  -6.992  10.434  13.109
  213    HA   CYS  26           HA       CYS  26  -6.458  12.591  14.880
  214   1HB   CYS  26          HB2       CYS  26  -4.820  10.843  13.908
  215   2HB   CYS  26          HB1       CYS  26  -4.751  11.897  12.500
  216    HG   CYS  26           HG       CYS  26  -3.044  12.266  14.797
  217    H    GLY  27           HN       GLY  27  -7.711  12.391  11.691
  218   1HA   GLY  27          HA1       GLY  27  -8.879  14.502  11.027
  219   2HA   GLY  27          HA2       GLY  27  -7.354  15.307  11.363
  220    H    ARG  28           HN       ARG  28  -8.543  12.549   9.444
  221    HA   ARG  28           HA       ARG  28  -7.731  13.642   6.967
  222   1HB   ARG  28          HB2       ARG  28  -5.752  12.086   8.467
  223   2HB   ARG  28          HB1       ARG  28  -6.037  11.472   6.845
  224   1HG   ARG  28          HG1       ARG  28  -5.137  13.299   5.843
  225   2HG   ARG  28          HG2       ARG  28  -5.627  14.387   7.144
  226   1HD   ARG  28          HD1       ARG  28  -3.538  12.306   7.638
  227   2HD   ARG  28          HD2       ARG  28  -3.110  13.807   6.819
  228    HE   ARG  28           HE       ARG  28  -4.328  13.731   9.504
  229   1HH1  ARG  28          HH12      ARG  28  -2.029  15.005   7.215
  230   2HH1  ARG  28          HH11      ARG  28  -1.380  16.169   8.319
  231   1HH2  ARG  28          HH22      ARG  28  -3.478  15.262  10.965
  232   2HH2  ARG  28          HH21      ARG  28  -2.203  16.316  10.451
  233    H    THR  29           HN       THR  29  -7.452  11.585   5.342
  234    HA   THR  29           HA       THR  29  -9.400   9.522   6.035
  235    HB   THR  29           HB       THR  29  -9.637  11.299   3.597
  236    HG1  THR  29           HG1      THR  29 -11.854  11.386   4.762
  237   1HG2  THR  29          HG21      THR  29 -10.732   9.672   2.591
  238   2HG2  THR  29          HG22      THR  29 -11.937   9.746   3.876
  239   3HG2  THR  29          HG23      THR  29 -10.580   8.628   4.003
  240    H    VAL  30           HN       VAL  30  -8.833   7.573   5.272
  241    HA   VAL  30           HA       VAL  30  -6.493   7.436   3.520
  242    HB   VAL  30           HB       VAL  30  -7.768   5.218   5.121
  243   1HG1  VAL  30          HG21      VAL  30  -5.202   4.490   4.760
  244   2HG1  VAL  30          HG22      VAL  30  -5.486   5.378   3.264
  245   3HG1  VAL  30          HG23      VAL  30  -6.515   4.009   3.686
  246   1HG2  VAL  30          HG11      VAL  30  -6.963   6.440   6.846
  247   2HG2  VAL  30          HG12      VAL  30  -5.827   7.326   5.827
  248   3HG2  VAL  30          HG13      VAL  30  -5.439   5.693   6.368
  249    H    ASN  31           HN       ASN  31  -6.926   7.289   1.435
  250    HA   ASN  31           HA       ASN  31  -9.382   6.015   0.519
  251   1HB   ASN  31          HB1       ASN  31  -8.916   8.142  -0.483
  252   2HB   ASN  31          HB2       ASN  31  -7.275   7.654  -0.897
  253   1HD2  ASN  31          HD22      ASN  31  -6.964   7.074  -2.911
  254   2HD2  ASN  31          HD21      ASN  31  -8.166   6.476  -3.999
  255    H    VAL  32           HN       VAL  32  -9.382   3.908   0.099
  256    HA   VAL  32           HA       VAL  32  -7.067   2.321  -0.241
  257    HB   VAL  32           HB       VAL  32  -9.854   1.676  -1.165
  258   1HG1  VAL  32          HG21      VAL  32  -7.433   0.036  -0.599
  259   2HG1  VAL  32          HG22      VAL  32  -8.525  -0.018  -1.985
  260   3HG1  VAL  32          HG23      VAL  32  -9.046  -0.653  -0.425
  261   1HG2  VAL  32          HG11      VAL  32  -8.895   0.768   1.478
  262   2HG2  VAL  32          HG12      VAL  32 -10.521   1.200   0.950
  263   3HG2  VAL  32          HG13      VAL  32  -9.352   2.465   1.326
  264    H    LYS  33           HN       LYS  33  -6.770   0.938  -2.311
  265    HA   LYS  33           HA       LYS  33  -5.938   2.533  -4.401
  266   1HB   LYS  33          HB2       LYS  33  -5.810  -0.158  -3.773
  267   2HB   LYS  33          HB1       LYS  33  -6.723  -0.143  -5.275
  268   1HG   LYS  33          HG1       LYS  33  -4.786   1.470  -6.040
  269   2HG   LYS  33          HG2       LYS  33  -3.906   0.639  -4.755
  270   1HD   LYS  33          HD2       LYS  33  -3.895  -1.350  -5.858
  271   2HD   LYS  33          HD1       LYS  33  -5.447  -1.046  -6.643
  272   1HE   LYS  33          HE1       LYS  33  -4.449  -0.281  -8.477
  273   2HE   LYS  33          HE2       LYS  33  -3.458   0.836  -7.540
  274   1HZ   LYS  33          HZ1       LYS  33  -2.810  -1.804  -8.564
  275   2HZ   LYS  33          HZ2       LYS  33  -2.224  -1.453  -7.016
  276   3HZ   LYS  33          HZ3       LYS  33  -1.811  -0.460  -8.322
  277    H    ASP  34           HN       ASP  34  -6.762   1.722  -6.794
  278    HA   ASP  34           HA       ASP  34  -9.393   2.927  -6.991
  279   1HB   ASP  34          HB1       ASP  34  -7.080   2.983  -8.563
  280   2HB   ASP  34          HB2       ASP  34  -8.245   2.065  -9.514
  281    H    ARG  35           HN       ARG  35  -7.859  -0.179  -7.566
  282    HA   ARG  35           HA       ARG  35 -10.242  -1.303  -8.763
  283   1HB   ARG  35          HB2       ARG  35  -7.719  -1.918  -9.193
  284   2HB   ARG  35          HB1       ARG  35  -7.950  -2.971  -7.804
  285   1HG   ARG  35          HG2       ARG  35  -8.987  -4.483  -9.044
  286   2HG   ARG  35          HG1       ARG  35 -10.120  -3.279  -9.662
  287   1HD   ARG  35          HD1       ARG  35  -7.326  -3.658 -10.723
  288   2HD   ARG  35          HD2       ARG  35  -8.752  -4.435 -11.411
  289    HE   ARG  35           HE       ARG  35  -9.542  -1.959 -11.583
  290   1HH1  ARG  35          HH21      ARG  35  -6.328  -3.190 -12.128
  291   2HH1  ARG  35          HH22      ARG  35  -5.911  -1.958 -13.270
  292   1HH2  ARG  35          HH11      ARG  35  -9.001  -0.332 -13.087
  293   2HH2  ARG  35          HH12      ARG  35  -7.429  -0.334 -13.816
  294    H    ARG  36           HN       ARG  36  -9.255  -3.829  -7.060
  295    HA   ARG  36           HA       ARG  36 -11.425  -3.674  -5.204
  296   1HB   ARG  36          HB2       ARG  36  -9.244  -5.748  -5.144
  297   2HB   ARG  36          HB1       ARG  36 -10.925  -5.916  -4.656
  298   1HG   ARG  36          HG2       ARG  36 -10.079  -5.432  -7.500
  299   2HG   ARG  36          HG1       ARG  36 -10.290  -7.042  -6.808
  300   1HD   ARG  36          HD1       ARG  36 -12.306  -5.011  -7.551
  301   2HD   ARG  36          HD2       ARG  36 -12.375  -6.769  -7.659
  302    HE   ARG  36           HE       ARG  36 -12.751  -6.738  -5.202
  303   1HH1  ARG  36          HH21      ARG  36 -13.486  -3.923  -7.121
  304   2HH1  ARG  36          HH22      ARG  36 -14.669  -3.317  -6.010
  305   1HH2  ARG  36          HH11      ARG  36 -14.307  -5.947  -3.736
  306   2HH2  ARG  36          HH12      ARG  36 -15.135  -4.466  -4.087
  307    H    ILE  37           HN       ILE  37  -8.125  -4.665  -4.386
  308    HA   ILE  37           HA       ILE  37  -7.835  -2.540  -2.451
  309    HB   ILE  37           HB       ILE  37  -8.822  -5.130  -1.655
  310   1HG1  ILE  37          HG12      ILE  37  -9.374  -2.649  -0.988
  311   2HG1  ILE  37          HG11      ILE  37  -9.584  -3.951   0.178
  312   1HG2  ILE  37          HG21      ILE  37  -6.315  -4.281  -0.211
  313   2HG2  ILE  37          HG22      ILE  37  -6.395  -5.613  -1.366
  314   3HG2  ILE  37          HG23      ILE  37  -7.327  -5.686   0.129
  315   1HD1  ILE  37          HD11      ILE  37  -7.169  -2.166   0.019
  316   2HD1  ILE  37          HD12      ILE  37  -7.504  -3.387   1.247
  317   3HD1  ILE  37          HD13      ILE  37  -8.521  -1.950   1.131
  318    H    PHE  38           HN       PHE  38  -5.710  -2.361  -1.620
  319    HA   PHE  38           HA       PHE  38  -3.707  -3.660  -3.303
  320   1HB   PHE  38          HB1       PHE  38  -3.941  -1.066  -2.468
  321   2HB   PHE  38          HB2       PHE  38  -2.811  -1.706  -1.281
  322    HD1  PHE  38           HD1      PHE  38  -1.716  -3.764  -3.474
  323    HD2  PHE  38           HD2      PHE  38  -2.198   0.459  -3.258
  324    HE1  PHE  38           HE1      PHE  38   0.128  -3.476  -5.075
  325    HE2  PHE  38           HE2      PHE  38  -0.353   0.753  -4.858
  326    HZ   PHE  38           HZ       PHE  38   0.812  -1.215  -5.769
  327    H    GLY  39           HN       GLY  39  -1.887  -4.720  -2.405
  328   1HA   GLY  39          HA1       GLY  39  -0.993  -6.354  -1.055
  329   2HA   GLY  39          HA2       GLY  39  -1.197  -5.134   0.191
  330    H    ARG  40           HN       ARG  40  -2.479  -8.050  -1.212
  331    HA   ARG  40           HA       ARG  40  -4.659  -8.154   0.716
  332   1HB   ARG  40          HB1       ARG  40  -4.473  -9.078  -1.835
  333   2HB   ARG  40          HB2       ARG  40  -4.083 -10.531  -0.928
  334   1HG   ARG  40          HG2       ARG  40  -6.456 -10.414  -1.441
  335   2HG   ARG  40          HG1       ARG  40  -6.172 -10.351   0.301
  336   1HD   ARG  40          HD1       ARG  40  -6.559  -8.002   0.358
  337   2HD   ARG  40          HD2       ARG  40  -6.574  -7.902  -1.402
  338    HE   ARG  40           HE       ARG  40  -8.661  -9.241   0.194
  339   1HH1  ARG  40          HH22      ARG  40  -7.624  -7.422  -2.592
  340   2HH1  ARG  40          HH21      ARG  40  -9.219  -7.278  -3.251
  341   1HH2  ARG  40          HH12      ARG  40 -10.765  -9.055  -0.667
  342   2HH2  ARG  40          HH11      ARG  40 -11.004  -8.205  -2.158
  343    H    ALA  41           HN       ALA  41  -3.510  -8.280   2.640
  344    HA   ALA  41           HA       ALA  41  -1.673 -10.517   3.015
  345   1HB   ALA  41          HB1       ALA  41  -2.364  -8.184   4.795
  346   2HB   ALA  41          HB2       ALA  41  -0.911  -8.378   3.814
  347   3HB   ALA  41          HB3       ALA  41  -1.192  -9.446   5.191
  348    H    ASP  42           HN       ASP  42  -2.634 -12.395   3.482
  349    HA   ASP  42           HA       ASP  42  -5.092 -12.509   4.983
  350   1HB   ASP  42          HB2       ASP  42  -4.009 -15.094   4.826
  351   2HB   ASP  42          HB1       ASP  42  -5.262 -14.404   3.799
  352    H    ASP  43           HN       ASP  43  -1.684 -12.890   5.555
  353    HA   ASP  43           HA       ASP  43  -2.080 -13.953   8.236
  354   1HB   ASP  43          HB1       ASP  43   0.237 -13.555   6.421
  355   2HB   ASP  43          HB2       ASP  43   0.562 -13.449   8.148
  356    H    PHE  44           HN       PHE  44  -2.154 -12.744  10.027
  357    HA   PHE  44           HA       PHE  44  -2.444  -9.984   9.975
  358   1HB   PHE  44          HB2       PHE  44  -2.063 -10.107  12.464
  359   2HB   PHE  44          HB1       PHE  44  -3.293 -11.205  11.847
  360    HD1  PHE  44           HD1      PHE  44   0.000 -10.931  13.376
  361    HD2  PHE  44           HD2      PHE  44  -2.906 -13.602  11.786
  362    HE1  PHE  44           HE1      PHE  44   1.156 -12.820  14.448
  363    HE2  PHE  44           HE2      PHE  44  -1.755 -15.496  12.853
  364    HZ   PHE  44           HZ       PHE  44   0.278 -15.107  14.187
  365    H    GLU  45           HN       GLU  45   0.440 -11.938  10.511
  366    HA   GLU  45           HA       GLU  45   2.144  -9.815  11.273
  367   1HB   GLU  45          HB2       GLU  45   3.938 -11.495  10.512
  368   2HB   GLU  45          HB1       GLU  45   2.906 -11.948  11.856
  369   1HG   GLU  45          HG1       GLU  45   1.611 -13.383  10.473
  370   2HG   GLU  45          HG2       GLU  45   2.394 -12.779   9.014
  371    H    GLU  46           HN       GLU  46   1.429 -11.365   8.172
  372    HA   GLU  46           HA       GLU  46   3.343  -9.924   6.665
  373   1HB   GLU  46          HB1       GLU  46   0.852 -11.446   5.925
  374   2HB   GLU  46          HB2       GLU  46   1.818 -10.616   4.714
  375   1HG   GLU  46          HG1       GLU  46   3.757 -11.999   5.909
  376   2HG   GLU  46          HG2       GLU  46   2.398 -13.067   6.256
  377    H    ALA  47           HN       ALA  47   0.226  -9.121   7.878
  378    HA   ALA  47           HA       ALA  47  -0.598  -7.175   6.042
  379   1HB   ALA  47          HB1       ALA  47  -1.140  -6.802   8.948
  380   2HB   ALA  47          HB2       ALA  47  -1.789  -8.225   8.133
  381   3HB   ALA  47          HB3       ALA  47  -2.217  -6.610   7.565
  382    H    SER  48           HN       SER  48   1.182  -6.759   9.101
  383    HA   SER  48           HA       SER  48   1.600  -4.004   8.872
  384   1HB   SER  48          HB2       SER  48   1.997  -5.641  10.875
  385   2HB   SER  48          HB1       SER  48   3.623  -5.775  10.205
  386    HG   SER  48           HG       SER  48   2.780  -3.922  11.798
  387    H    GLU  49           HN       GLU  49   3.530  -6.731   7.713
  388    HA   GLU  49           HA       GLU  49   5.748  -5.177   6.870
  389   1HB   GLU  49          HB2       GLU  49   5.070  -7.914   6.973
  390   2HB   GLU  49          HB1       GLU  49   5.457  -7.565   5.295
  391   1HG   GLU  49          HG1       GLU  49   7.273  -6.673   7.493
  392   2HG   GLU  49          HG2       GLU  49   7.331  -8.328   6.887
  393    H    LEU  50           HN       LEU  50   2.773  -6.185   5.301
  394    HA   LEU  50           HA       LEU  50   3.521  -5.449   2.668
  395   1HB   LEU  50          HB1       LEU  50   1.143  -6.399   4.039
  396   2HB   LEU  50          HB2       LEU  50   0.754  -5.202   2.819
  397    HG   LEU  50           HG       LEU  50   2.012  -6.573   1.151
  398   1HD1  LEU  50          HD21      LEU  50   1.891  -8.970   2.839
  399   2HD1  LEU  50          HD22      LEU  50   3.123  -7.797   3.303
  400   3HD1  LEU  50          HD23      LEU  50   3.109  -8.461   1.669
  401   1HD2  LEU  50          HD11      LEU  50   0.221  -7.955   0.697
  402   2HD2  LEU  50          HD12      LEU  50  -0.511  -6.728   1.731
  403   3HD2  LEU  50          HD13      LEU  50  -0.079  -8.301   2.400
  404    H    VAL  51           HN       VAL  51   1.820  -3.762   5.264
  405    HA   VAL  51           HA       VAL  51   1.148  -1.445   3.827
  406    HB   VAL  51           HB       VAL  51   1.689  -1.744   6.782
  407   1HG1  VAL  51          HG21      VAL  51  -0.177   0.240   6.481
  408   2HG1  VAL  51          HG22      VAL  51   0.927   0.541   5.141
  409   3HG1  VAL  51          HG23      VAL  51   1.540   0.485   6.793
  410   1HG2  VAL  51          HG11      VAL  51  -0.971  -1.755   5.376
  411   2HG2  VAL  51          HG12      VAL  51  -0.632  -2.146   7.062
  412   3HG2  VAL  51          HG13      VAL  51  -0.084  -3.225   5.780
  413    H    ARG  52           HN       ARG  52   3.991  -2.237   5.804
  414    HA   ARG  52           HA       ARG  52   5.223   0.290   5.650
  415   1HB   ARG  52          HB1       ARG  52   5.785  -1.795   7.126
  416   2HB   ARG  52          HB2       ARG  52   6.816  -2.251   5.777
  417   1HG   ARG  52          HG1       ARG  52   7.201   0.513   6.571
  418   2HG   ARG  52          HG2       ARG  52   7.505  -0.620   7.890
  419   1HD   ARG  52          HD2       ARG  52   8.873  -1.927   6.118
  420   2HD   ARG  52          HD1       ARG  52   8.862  -0.403   5.231
  421    HE   ARG  52           HE       ARG  52  10.056  -0.806   7.893
  422   1HH1  ARG  52          HH11      ARG  52   9.792   0.952   4.896
  423   2HH1  ARG  52          HH12      ARG  52  11.142   1.983   5.233
  424   1HH2  ARG  52          HH21      ARG  52  11.835   0.548   8.345
  425   2HH2  ARG  52          HH22      ARG  52  12.303   1.753   7.193
  426    H    LYS  53           HN       LYS  53   5.363  -2.546   3.558
  427    HA   LYS  53           HA       LYS  53   7.364  -1.516   1.811
  428   1HB   LYS  53          HB2       LYS  53   6.005  -3.936   2.095
  429   2HB   LYS  53          HB1       LYS  53   5.473  -3.321   0.535
  430   1HG   LYS  53          HG2       LYS  53   7.417  -3.803  -0.424
  431   2HG   LYS  53          HG1       LYS  53   8.338  -3.061   0.887
  432   1HD   LYS  53          HD2       LYS  53   8.378  -5.038   2.135
  433   2HD   LYS  53          HD1       LYS  53   7.047  -5.749   1.219
  434   1HE   LYS  53          HE1       LYS  53   8.864  -5.358  -0.749
  435   2HE   LYS  53          HE2       LYS  53   9.927  -5.668   0.624
  436   1HZ   LYS  53          HZ1       LYS  53   8.409  -7.506  -0.879
  437   2HZ   LYS  53          HZ2       LYS  53   7.892  -7.555   0.730
  438   3HZ   LYS  53          HZ3       LYS  53   9.521  -7.814   0.358
  439    H    LEU  54           HN       LEU  54   3.892  -1.278   2.055
  440    HA   LEU  54           HA       LEU  54   3.410  -0.116  -0.494
  441   1HB   LEU  54          HB1       LEU  54   1.894  -0.866   1.806
  442   2HB   LEU  54          HB2       LEU  54   1.493   0.793   1.405
  443    HG   LEU  54           HG       LEU  54  -0.041  -0.821   0.361
  444   1HD1  LEU  54          HD11      LEU  54   1.524   1.176  -1.058
  445   2HD1  LEU  54          HD12      LEU  54  -0.218   0.899  -1.042
  446   3HD1  LEU  54          HD13      LEU  54   0.814  -0.031  -2.130
  447   1HD2  LEU  54          HD21      LEU  54   1.041  -2.766  -0.119
  448   2HD2  LEU  54          HD22      LEU  54   2.510  -1.949  -0.656
  449   3HD2  LEU  54          HD23      LEU  54   1.097  -2.006  -1.709
  450    H    GLN  55           HN       GLN  55   4.743   1.061   2.427
  451    HA   GLN  55           HA       GLN  55   4.026   3.791   2.217
  452   1HB   GLN  55          HB1       GLN  55   5.911   2.184   3.811
  453   2HB   GLN  55          HB2       GLN  55   6.382   3.860   3.573
  454   1HG   GLN  55          HG1       GLN  55   4.136   4.533   4.418
  455   2HG   GLN  55          HG2       GLN  55   3.839   2.840   4.811
  456   1HE2  GLN  55          HE22      GLN  55   4.620   5.645   6.157
  457   2HE2  GLN  55          HE21      GLN  55   5.607   5.113   7.471
  458    H    GLU  56           HN       GLU  56   6.562   5.049   2.466
  459    HA   GLU  56           HA       GLU  56   7.154   5.459  -0.300
  460   1HB   GLU  56          HB2       GLU  56   7.203   7.260   1.432
  461   2HB   GLU  56          HB1       GLU  56   8.639   6.511   2.115
  462   1HG   GLU  56          HG1       GLU  56   9.310   6.792  -0.527
  463   2HG   GLU  56          HG2       GLU  56   8.351   8.237  -0.210
  464    H    GLU  57           HN       GLU  57   7.937   3.475  -1.054
  465    HA   GLU  57           HA       GLU  57  10.212   2.206   0.147
  466   1HB   GLU  57          HB2       GLU  57  10.032   0.588  -1.568
  467   2HB   GLU  57          HB1       GLU  57   8.381   1.051  -1.185
  468   1HG   GLU  57          HG1       GLU  57   9.907   2.283  -3.456
  469   2HG   GLU  57          HG2       GLU  57   8.973   0.797  -3.634
  470    H    LYS  58           HN       LYS  58  12.102   1.628  -1.400
  471    HA   LYS  58           HA       LYS  58  13.354   4.103  -2.112
  472   1HB   LYS  58          HB1       LYS  58  14.375   1.283  -2.478
  473   2HB   LYS  58          HB2       LYS  58  15.333   2.757  -2.543
  474   1HG   LYS  58          HG1       LYS  58  15.497   2.897  -0.315
  475   2HG   LYS  58          HG2       LYS  58  13.819   2.412  -0.062
  476   1HD   LYS  58          HD1       LYS  58  15.267   0.181  -1.081
  477   2HD   LYS  58          HD2       LYS  58  16.163   0.863   0.277
  478   1HE   LYS  58          HE1       LYS  58  14.280   0.653   1.724
  479   2HE   LYS  58          HE2       LYS  58  13.222   0.228   0.379
  480   1HZ   LYS  58          HZ1       LYS  58  13.654  -1.860   0.984
  481   2HZ   LYS  58          HZ2       LYS  58  15.010  -1.435   1.901
  482   3HZ   LYS  58          HZ3       LYS  58  15.153  -1.649   0.230
  483    H    TYR  59           HN       TYR  59  14.324   4.557  -4.178
  484    HA   TYR  59           HA       TYR  59  12.598   3.732  -6.370
  485   1HB   TYR  59          HB2       TYR  59  14.634   5.915  -6.009
  486   2HB   TYR  59          HB1       TYR  59  14.040   5.493  -7.612
  487    HD1  TYR  59           HD1      TYR  59  11.730   5.943  -8.244
  488    HD2  TYR  59           HD2      TYR  59  13.195   7.011  -4.394
  489    HE1  TYR  59           HE1      TYR  59   9.765   7.380  -7.901
  490    HE2  TYR  59           HE2      TYR  59  11.234   8.452  -4.042
  491    HH   TYR  59           HH       TYR  59   9.176   9.394  -6.512
  492    H    GLY  60           HN       GLY  60  13.758   3.480  -8.564
  493   1HA   GLY  60          HA1       GLY  60  16.388   2.480  -8.693
  494   2HA   GLY  60          HA2       GLY  60  15.283   1.130  -8.489
  495    H    SER  61           HN       SER  61  13.585   3.455 -10.072
  496    HA   SER  61           HA       SER  61  13.932   2.093 -12.617
  497   1HB   SER  61          HB2       SER  61  12.034   4.371 -12.342
  498   2HB   SER  61          HB1       SER  61  11.824   2.822 -13.158
  499    HG   SER  61           HG       SER  61  10.946   3.507 -10.779
  500    H    CYS  62           HN       CYS  62  15.343   2.802 -14.058
  501    HA   CYS  62           HA       CYS  62  15.756   5.703 -14.326
  502   1HB   CYS  62          HB2       CYS  62  17.647   4.259 -13.175
  503   2HB   CYS  62          HB1       CYS  62  18.032   3.829 -14.839
  504    HG   CYS  62           HG       CYS  62  19.213   5.951 -15.032
  505    H    HIS  63           HN       HIS  63  15.582   2.553 -15.799
  506    HA   HIS  63           HA       HIS  63  15.017   3.777 -18.365
  507   1HB   HIS  63          HB2       HIS  63  17.606   2.855 -17.849
  508   2HB   HIS  63          HB1       HIS  63  16.854   1.572 -18.790
  509    HD2  HIS  63           HD2      HIS  63  16.549   2.065 -21.446
  510    HE1  HIS  63           HE1      HIS  63  17.917   6.070 -21.329
  511    HE2  HIS  63           HE2      HIS  63  17.225   4.150 -22.835
  512    H    PHE  64           HN       PHE  64  14.568   1.415 -16.053
  513    HA   PHE  64           HA       PHE  64  13.610  -0.704 -17.724
  514   1HB   PHE  64          HB2       PHE  64  13.447  -0.131 -14.772
  515   2HB   PHE  64          HB1       PHE  64  12.600  -1.497 -15.490
  516    HD1  PHE  64           HD1      PHE  64  13.745  -3.470 -16.107
  517    HD2  PHE  64           HD2      PHE  64  15.923  -0.031 -14.868
  518    HE1  PHE  64           HE1      PHE  64  15.792  -4.827 -15.951
  519    HE2  PHE  64           HE2      PHE  64  17.975  -1.380 -14.709
  520    HZ   PHE  64           HZ       PHE  64  17.911  -3.782 -15.252
  521    H    THR  65           HN       THR  65  11.969   1.580 -15.528
  522    HA   THR  65           HA       THR  65   9.443   1.021 -16.891
  523    HB   THR  65           HB       THR  65   9.919   2.688 -14.414
  524    HG1  THR  65           HG1      THR  65  10.490   0.371 -14.307
  525   1HG2  THR  65          HG21      THR  65   7.598   2.293 -15.968
  526   2HG2  THR  65          HG22      THR  65   7.762   3.132 -14.426
  527   3HG2  THR  65          HG23      THR  65   7.393   1.407 -14.457
  528    H    ASN  66           HN       ASN  66   9.794   2.150 -18.819
  529    HA   ASN  66           HA       ASN  66  10.657   4.822 -18.985
  530   1HB   ASN  66          HB1       ASN  66   8.777   3.541 -20.961
  531   2HB   ASN  66          HB2       ASN  66  10.038   4.734 -21.265
  532   1HD2  ASN  66          HD22      ASN  66  12.261   4.037 -20.986
  533   2HD2  ASN  66          HD21      ASN  66  12.675   2.395 -21.330
  534    HA   PRO  67           HA       PRO  67   7.223   7.275 -17.712
  535   1HB   PRO  67          HB2       PRO  67   7.198   9.200 -19.689
  536   2HB   PRO  67          HB1       PRO  67   8.275   9.212 -18.290
  537   1HG   PRO  67          HG2       PRO  67   8.807   8.292 -21.085
  538   2HG   PRO  67          HG1       PRO  67   9.854   9.213 -19.989
  539   1HD   PRO  67          HD2       PRO  67  10.220   6.589 -20.394
  540   2HD   PRO  67          HD1       PRO  67  10.477   7.322 -18.796
  541    H    SER  68           HN       SER  68   7.344   6.551 -21.188
  542    HA   SER  68           HA       SER  68   4.478   6.798 -21.461
  543   1HB   SER  68          HB1       SER  68   6.671   6.902 -23.219
  544   2HB   SER  68          HB2       SER  68   5.755   5.471 -23.690
  545    HG   SER  68           HG       SER  68   4.135   7.587 -23.172
  546    H    LYS  69           HN       LYS  69   6.613   4.404 -20.444
  547    HA   LYS  69           HA       LYS  69   4.993   2.169 -21.353
  548   1HB   LYS  69          HB1       LYS  69   7.622   2.319 -21.026
  549   2HB   LYS  69          HB2       LYS  69   7.212   1.841 -19.384
  550   1HG   LYS  69          HG2       LYS  69   7.260  -0.256 -20.103
  551   2HG   LYS  69          HG1       LYS  69   5.763   0.096 -20.969
  552   1HD   LYS  69          HD1       LYS  69   6.912   0.553 -22.977
  553   2HD   LYS  69          HD2       LYS  69   8.470   0.653 -22.153
  554   1HE   LYS  69          HE2       LYS  69   8.167  -1.445 -23.438
  555   2HE   LYS  69          HE1       LYS  69   8.457  -1.707 -21.718
  556   1HZ   LYS  69          HZ1       LYS  69   6.300  -2.591 -23.264
  557   2HZ   LYS  69          HZ2       LYS  69   5.696  -1.498 -22.121
  558   3HZ   LYS  69          HZ3       LYS  69   6.581  -2.849 -21.616
  559    H    ARG  70           HN       ARG  70   4.273   0.523 -19.775
  560    HA   ARG  70           HA       ARG  70   2.835   1.804 -17.621
  561   1HB   ARG  70          HB2       ARG  70   2.845  -1.153 -18.169
  562   2HB   ARG  70          HB1       ARG  70   1.565  -0.169 -17.472
  563   1HG   ARG  70          HG2       ARG  70   0.632  -0.042 -19.470
  564   2HG   ARG  70          HG1       ARG  70   2.034   0.867 -20.038
  565   1HD   ARG  70          HD2       ARG  70   2.819  -1.826 -19.995
  566   2HD   ARG  70          HD1       ARG  70   1.203  -1.803 -20.698
  567    HE   ARG  70           HE       ARG  70   2.818   0.208 -21.862
  568   1HH1  ARG  70          HH11      ARG  70   2.317  -3.242 -21.847
  569   2HH1  ARG  70          HH12      ARG  70   2.911  -3.464 -23.459
  570   1HH2  ARG  70          HH22      ARG  70   3.601  -0.078 -23.983
  571   2HH2  ARG  70          HH21      ARG  70   3.639  -1.667 -24.673
  572    H    GLU  71           HN       GLU  71   2.645   0.053 -15.629
  573    HA   GLU  71           HA       GLU  71   5.302   0.143 -14.444
  574   1HB   GLU  71          HB1       GLU  71   3.053   0.897 -13.347
  575   2HB   GLU  71          HB2       GLU  71   2.845  -0.816 -13.014
  576   1HG   GLU  71          HG1       GLU  71   4.690  -0.890 -11.596
  577   2HG   GLU  71          HG2       GLU  71   5.347   0.622 -12.223
  Start of MODEL   14
    1   1H    MET   1          HT1       MET   1  -9.690 -11.633   7.231
    2   2H    MET   1          HT2       MET   1  -8.886 -13.145   7.343
    3   3H    MET   1          HT3       MET   1  -9.990 -12.852   6.063
    4    HA   MET   1           HA       MET   1  -7.251 -12.349   6.201
    5   1HB   MET   1          HB1       MET   1  -9.399 -11.935   4.111
    6   2HB   MET   1          HB2       MET   1  -7.673 -11.852   3.787
    7   1HG   MET   1          HG2       MET   1  -7.434 -14.080   3.786
    8   2HG   MET   1          HG1       MET   1  -8.553 -14.305   5.129
    9   1HE   MET   1          HE1       MET   1  -9.134 -15.629   1.089
   10   2HE   MET   1          HE2       MET   1  -8.939 -16.575   2.564
   11   3HE   MET   1          HE3       MET   1  -7.724 -15.377   2.118
   12    H    TYR   2           HN       TYR   2  -6.106 -10.468   5.604
   13    HA   TYR   2           HA       TYR   2  -7.498  -7.977   6.319
   14   1HB   TYR   2          HB2       TYR   2  -4.666  -8.910   6.648
   15   2HB   TYR   2          HB1       TYR   2  -5.010  -7.186   6.570
   16    HD1  TYR   2           HD1      TYR   2  -7.355  -6.748   8.105
   17    HD2  TYR   2           HD2      TYR   2  -4.240  -9.560   8.809
   18    HE1  TYR   2           HE1      TYR   2  -7.902  -6.744  10.501
   19    HE2  TYR   2           HE2      TYR   2  -4.777  -9.562  11.207
   20    HH   TYR   2           HH       TYR   2  -6.151  -7.486  12.789
   21    H    ILE   3           HN       ILE   3  -6.868  -6.026   5.219
   22    HA   ILE   3           HA       ILE   3  -5.862  -6.431   2.483
   23    HB   ILE   3           HB       ILE   3  -7.462  -4.602   1.787
   24   1HG1  ILE   3          HG11      ILE   3  -9.182  -5.328   4.110
   25   2HG1  ILE   3          HG12      ILE   3  -7.886  -4.167   4.384
   26   1HG2  ILE   3          HG21      ILE   3  -9.080  -6.104   1.172
   27   2HG2  ILE   3          HG22      ILE   3  -9.061  -6.932   2.732
   28   3HG2  ILE   3          HG23      ILE   3  -7.750  -7.190   1.578
   29   1HD1  ILE   3          HD11      ILE   3  -8.800  -2.626   2.888
   30   2HD1  ILE   3          HD12      ILE   3 -10.175  -3.249   3.800
   31   3HD1  ILE   3          HD13      ILE   3  -9.866  -3.830   2.164
   32    H    ILE   4           HN       ILE   4  -4.932  -4.475   1.523
   33    HA   ILE   4           HA       ILE   4  -4.045  -2.541   3.562
   34    HB   ILE   4           HB       ILE   4  -2.478  -3.933   1.428
   35   1HG1  ILE   4          HG11      ILE   4  -0.810  -3.567   3.508
   36   2HG1  ILE   4          HG12      ILE   4  -2.348  -3.477   4.361
   37   1HG2  ILE   4          HG21      ILE   4  -1.536  -2.034   0.742
   38   2HG2  ILE   4          HG22      ILE   4  -0.762  -1.977   2.329
   39   3HG2  ILE   4          HG23      ILE   4  -2.269  -1.101   2.048
   40   1HD1  ILE   4          HD11      ILE   4  -1.207  -5.740   4.213
   41   2HD1  ILE   4          HD12      ILE   4  -1.702  -5.746   2.521
   42   3HD1  ILE   4          HD13      ILE   4  -2.919  -5.664   3.794
   43    H    PHE   5           HN       PHE   5  -3.815  -0.372   2.903
   44    HA   PHE   5           HA       PHE   5  -4.804   0.336   0.245
   45   1HB   PHE   5          HB1       PHE   5  -6.109   2.199   1.776
   46   2HB   PHE   5          HB2       PHE   5  -6.849   0.764   1.081
   47    HD1  PHE   5           HD1      PHE   5  -5.941   2.481   4.088
   48    HD2  PHE   5           HD2      PHE   5  -7.115  -1.283   2.492
   49    HE1  PHE   5           HE1      PHE   5  -6.584   1.734   6.338
   50    HE2  PHE   5           HE2      PHE   5  -7.759  -2.038   4.744
   51    HZ   PHE   5           HZ       PHE   5  -7.490  -0.526   6.668
   52    H    ARG   6           HN       ARG   6  -4.998   3.079   0.561
   53    HA   ARG   6           HA       ARG   6  -2.425   3.909   1.699
   54   1HB   ARG   6          HB2       ARG   6  -3.258   4.067  -1.169
   55   2HB   ARG   6          HB1       ARG   6  -2.242   5.339  -0.505
   56   1HG   ARG   6          HG1       ARG   6  -0.448   3.934  -0.192
   57   2HG   ARG   6          HG2       ARG   6  -1.459   2.488  -0.120
   58   1HD   ARG   6          HD2       ARG   6  -0.061   2.780  -2.211
   59   2HD   ARG   6          HD1       ARG   6  -1.779   2.470  -2.453
   60    HE   ARG   6           HE       ARG   6  -1.858   5.053  -2.630
   61   1HH1  ARG   6          HH11      ARG   6   0.695   2.985  -3.795
   62   2HH1  ARG   6          HH12      ARG   6   1.152   4.057  -5.075
   63   1HH2  ARG   6          HH21      ARG   6  -1.262   6.468  -4.311
   64   2HH2  ARG   6          HH22      ARG   6   0.041   6.037  -5.369
   65    H    CYS   7           HN       CYS   7  -2.527   5.785   2.755
   66    HA   CYS   7           HA       CYS   7  -4.996   7.236   2.849
   67   1HB   CYS   7          HB2       CYS   7  -3.440   6.830   4.815
   68   2HB   CYS   7          HB1       CYS   7  -2.373   8.039   4.106
   69    HG   CYS   7           HG       CYS   7  -3.759   9.398   5.705
   70    H    ASP   8           HN       ASP   8  -5.033   9.644   2.590
   71    HA   ASP   8           HA       ASP   8  -4.248  10.359   0.007
   72   1HB   ASP   8          HB2       ASP   8  -5.098  12.550   0.493
   73   2HB   ASP   8          HB1       ASP   8  -6.121  11.390   1.335
   74    H    CYS   9           HN       CYS   9  -2.639  10.721   3.068
   75    HA   CYS   9           HA       CYS   9  -0.642  12.568   2.163
   76   1HB   CYS   9          HB2       CYS   9  -0.658  10.681   4.531
   77   2HB   CYS   9          HB1       CYS   9   0.509  11.975   4.270
   78    HG   CYS   9           HG       CYS   9  -1.041  13.501   5.366
   79    H    GLY  10           HN       GLY  10  -1.282   9.596   1.133
   80   1HA   GLY  10          HA2       GLY  10  -0.005   8.223  -0.251
   81   2HA   GLY  10          HA1       GLY  10   1.433   9.107   0.239
   82    H    ARG  11           HN       ARG  11  -0.624   8.090   2.758
   83    HA   ARG  11           HA       ARG  11   1.432   6.337   3.788
   84   1HB   ARG  11          HB1       ARG  11  -1.281   6.761   5.018
   85   2HB   ARG  11          HB2       ARG  11   0.226   6.332   5.816
   86   1HG   ARG  11          HG1       ARG  11   0.807   8.754   4.647
   87   2HG   ARG  11          HG2       ARG  11  -0.867   8.944   5.173
   88   1HD   ARG  11          HD1       ARG  11   0.133   9.535   7.114
   89   2HD   ARG  11          HD2       ARG  11   0.138   7.788   7.362
   90    HE   ARG  11           HE       ARG  11   2.463   7.827   6.523
   91   1HH1  ARG  11          HH21      ARG  11   1.044  10.757   7.767
   92   2HH1  ARG  11          HH22      ARG  11   2.567  11.469   8.183
   93   1HH2  ARG  11          HH11      ARG  11   4.472   8.759   7.069
   94   2HH2  ARG  11          HH12      ARG  11   4.514  10.334   7.787
   95    H    ALA  12           HN       ALA  12  -0.003   4.438   5.160
   96    HA   ALA  12           HA       ALA  12  -1.746   2.993   3.387
   97   1HB   ALA  12          HB1       ALA  12   0.413   2.434   2.399
   98   2HB   ALA  12          HB2       ALA  12  -0.325   1.019   3.149
   99   3HB   ALA  12          HB3       ALA  12   0.991   1.864   3.965
  100    H    LEU  13           HN       LEU  13  -2.872   1.332   4.441
  101    HA   LEU  13           HA       LEU  13  -2.107   0.703   7.192
  102   1HB   LEU  13          HB1       LEU  13  -4.550   2.196   6.386
  103   2HB   LEU  13          HB2       LEU  13  -4.697   1.022   7.678
  104    HG   LEU  13           HG       LEU  13  -2.526   3.071   7.829
  105   1HD1  LEU  13          HD21      LEU  13  -4.578   4.181   9.270
  106   2HD1  LEU  13          HD22      LEU  13  -5.385   3.633   7.801
  107   3HD1  LEU  13          HD23      LEU  13  -4.010   4.732   7.694
  108   1HD2  LEU  13          HD11      LEU  13  -3.277   2.860  10.285
  109   2HD2  LEU  13          HD12      LEU  13  -2.383   1.525   9.557
  110   3HD2  LEU  13          HD13      LEU  13  -4.133   1.419   9.739
  111    H    TYR  14           HN       TYR  14  -4.074  -0.808   8.087
  112    HA   TYR  14           HA       TYR  14  -4.741  -2.753   5.984
  113   1HB   TYR  14          HB2       TYR  14  -3.948  -4.602   7.275
  114   2HB   TYR  14          HB1       TYR  14  -2.642  -3.426   7.194
  115    HD1  TYR  14           HD1      TYR  14  -2.402  -1.821   9.215
  116    HD2  TYR  14           HD2      TYR  14  -4.618  -5.451   9.334
  117    HE1  TYR  14           HE1      TYR  14  -2.228  -1.840  11.668
  118    HE2  TYR  14           HE2      TYR  14  -4.450  -5.480  11.786
  119    HH   TYR  14           HH       TYR  14  -3.284  -2.778  13.583
  120    H    SER  15           HN       SER  15  -6.655  -3.842   6.258
  121    HA   SER  15           HA       SER  15  -8.105  -3.747   8.755
  122   1HB   SER  15          HB1       SER  15  -8.609  -1.544   7.586
  123   2HB   SER  15          HB2       SER  15  -9.414  -2.491   6.336
  124    HG   SER  15           HG       SER  15 -10.252  -3.250   8.779
  125    H    ARG  16           HN       ARG  16 -10.589  -4.511   7.971
  126    HA   ARG  16           HA       ARG  16 -10.111  -7.193   7.060
  127   1HB   ARG  16          HB1       ARG  16 -12.368  -7.636   7.587
  128   2HB   ARG  16          HB2       ARG  16 -11.823  -6.493   8.808
  129   1HG   ARG  16          HG1       ARG  16 -13.547  -5.201   8.304
  130   2HG   ARG  16          HG2       ARG  16 -12.855  -4.958   6.699
  131   1HD   ARG  16          HD1       ARG  16 -15.034  -5.754   6.321
  132   2HD   ARG  16          HD2       ARG  16 -13.974  -7.136   6.043
  133    HE   ARG  16           HE       ARG  16 -15.026  -6.957   8.721
  134   1HH1  ARG  16          HH12      ARG  16 -15.524  -8.176   5.495
  135   2HH1  ARG  16          HH11      ARG  16 -16.588  -9.445   6.000
  136   1HH2  ARG  16          HH21      ARG  16 -16.427  -8.625   9.395
  137   2HH2  ARG  16          HH22      ARG  16 -17.101  -9.701   8.217
  138    H    GLU  17           HN       GLU  17 -10.932  -8.183   5.208
  139    HA   GLU  17           HA       GLU  17 -10.749  -6.743   2.821
  140   1HB   GLU  17          HB1       GLU  17 -10.626  -9.319   3.320
  141   2HB   GLU  17          HB2       GLU  17 -12.349  -9.271   2.965
  142   1HG   GLU  17          HG2       GLU  17 -10.514  -7.981   1.030
  143   2HG   GLU  17          HG1       GLU  17 -10.522  -9.742   1.107
  144    H    GLY  18           HN       GLY  18 -12.079  -5.114   2.300
  145   1HA   GLY  18          HA1       GLY  18 -14.452  -5.133   1.219
  146   2HA   GLY  18          HA2       GLY  18 -14.943  -5.377   2.887
  147    H    ALA  19           HN       ALA  19 -12.319  -3.541   3.232
  148    HA   ALA  19           HA       ALA  19 -13.827  -1.175   3.759
  149   1HB   ALA  19          HB1       ALA  19 -11.809  -0.244   4.597
  150   2HB   ALA  19          HB2       ALA  19 -10.828  -1.414   3.713
  151   3HB   ALA  19          HB3       ALA  19 -11.827  -1.944   5.067
  152    H    LYS  20           HN       LYS  20 -14.468   0.219   2.264
  153    HA   LYS  20           HA       LYS  20 -13.063   0.406  -0.279
  154   1HB   LYS  20          HB2       LYS  20 -15.553   1.872   0.605
  155   2HB   LYS  20          HB1       LYS  20 -14.954   1.702  -1.039
  156   1HG   LYS  20          HG2       LYS  20 -16.526   0.086  -1.104
  157   2HG   LYS  20          HG1       LYS  20 -15.213  -0.879  -0.428
  158   1HD   LYS  20          HD2       LYS  20 -16.978  -1.375   0.988
  159   2HD   LYS  20          HD1       LYS  20 -16.139  -0.090   1.860
  160   1HE   LYS  20          HE2       LYS  20 -18.492   0.357   1.933
  161   2HE   LYS  20          HE1       LYS  20 -17.730   1.541   0.872
  162   1HZ   LYS  20          HZ1       LYS  20 -19.582  -0.617   0.219
  163   2HZ   LYS  20          HZ2       LYS  20 -18.376  -0.273  -0.916
  164   3HZ   LYS  20          HZ3       LYS  20 -19.456   0.937  -0.437
  165    H    THR  21           HN       THR  21 -14.083   2.562   2.353
  166    HA   THR  21           HA       THR  21 -11.751   4.228   1.853
  167    HB   THR  21           HB       THR  21 -13.470   6.238   2.196
  168    HG1  THR  21           HG1      THR  21 -15.318   5.693   0.812
  169   1HG2  THR  21          HG21      THR  21 -13.437   6.691  -0.122
  170   2HG2  THR  21          HG22      THR  21 -13.194   4.989  -0.518
  171   3HG2  THR  21          HG23      THR  21 -11.910   5.902   0.275
  172    H    ARG  22           HN       ARG  22 -10.798   4.124   3.776
  173    HA   ARG  22           HA       ARG  22 -12.407   4.116   6.203
  174   1HB   ARG  22          HB2       ARG  22 -10.725   2.977   7.164
  175   2HB   ARG  22          HB1       ARG  22 -10.137   2.754   5.525
  176   1HG   ARG  22          HG2       ARG  22  -8.296   3.904   5.943
  177   2HG   ARG  22          HG1       ARG  22  -9.205   5.251   6.627
  178   1HD   ARG  22          HD2       ARG  22  -8.103   2.827   7.993
  179   2HD   ARG  22          HD1       ARG  22  -7.890   4.528   8.404
  180    HE   ARG  22           HE       ARG  22 -10.526   4.183   8.772
  181   1HH1  ARG  22          HH21      ARG  22  -7.761   2.357   9.850
  182   2HH1  ARG  22          HH22      ARG  22  -8.527   1.813  11.305
  183   1HH2  ARG  22          HH12      ARG  22 -11.542   3.471  10.685
  184   2HH2  ARG  22          HH11      ARG  22 -10.675   2.446  11.779
  185    H    LYS  23           HN       LYS  23 -10.917   5.430   8.050
  186    HA   LYS  23           HA       LYS  23 -10.319   8.078   6.989
  187   1HB   LYS  23          HB1       LYS  23 -12.659   8.306   7.442
  188   2HB   LYS  23          HB2       LYS  23 -12.500   7.503   8.997
  189   1HG   LYS  23          HG2       LYS  23 -11.002   9.448   9.668
  190   2HG   LYS  23          HG1       LYS  23 -11.609  10.260   8.223
  191   1HD   LYS  23          HD2       LYS  23 -13.709   9.072   9.872
  192   2HD   LYS  23          HD1       LYS  23 -12.784  10.328  10.699
  193   1HE   LYS  23          HE2       LYS  23 -13.289  11.926   9.009
  194   2HE   LYS  23          HE1       LYS  23 -13.977  10.688   7.959
  195   1HZ   LYS  23          HZ1       LYS  23 -15.828  11.677   8.883
  196   2HZ   LYS  23          HZ2       LYS  23 -15.113  11.877  10.403
  197   3HZ   LYS  23          HZ3       LYS  23 -15.610  10.341   9.898
  198    H    CYS  24           HN       CYS  24  -8.857   9.198   8.167
  199    HA   CYS  24           HA       CYS  24  -7.617   7.764  10.389
  200   1HB   CYS  24          HB2       CYS  24  -6.635   9.398   8.230
  201   2HB   CYS  24          HB1       CYS  24  -6.143  10.097   9.770
  202    HG   CYS  24           HG       CYS  24  -4.366   8.346   8.911
  203    H    VAL  25           HN       VAL  25  -8.056   8.336  12.377
  204    HA   VAL  25           HA       VAL  25  -9.706  10.534  13.023
  205    HB   VAL  25           HB       VAL  25 -10.051   9.359  14.849
  206   1HG1  VAL  25          HG21      VAL  25  -9.362   7.186  14.978
  207   2HG1  VAL  25          HG22      VAL  25  -7.696   7.571  14.550
  208   3HG1  VAL  25          HG23      VAL  25  -8.945   7.547  13.301
  209   1HG2  VAL  25          HG11      VAL  25  -8.579   9.390  16.674
  210   2HG2  VAL  25          HG12      VAL  25  -8.240  10.860  15.760
  211   3HG2  VAL  25          HG13      VAL  25  -7.160   9.472  15.630
  212    H    CYS  26           HN       CYS  26  -6.371  10.299  12.489
  213    HA   CYS  26           HA       CYS  26  -5.456  12.364  14.202
  214   1HB   CYS  26          HB2       CYS  26  -3.940  10.728  13.145
  215   2HB   CYS  26          HB1       CYS  26  -4.309  11.413  11.565
  216    HG   CYS  26           HG       CYS  26  -2.340  12.805  12.000
  217    H    GLY  27           HN       GLY  27  -7.246  12.350  11.277
  218   1HA   GLY  27          HA1       GLY  27  -8.414  14.528  10.903
  219   2HA   GLY  27          HA2       GLY  27  -6.820  15.261  10.986
  220    H    ARG  28           HN       ARG  28  -8.217  12.462   9.259
  221    HA   ARG  28           HA       ARG  28  -8.003  13.650   6.698
  222   1HB   ARG  28          HB1       ARG  28  -6.206  11.669   6.128
  223   2HB   ARG  28          HB2       ARG  28  -5.796  13.365   6.345
  224   1HG   ARG  28          HG2       ARG  28  -5.083  13.003   8.570
  225   2HG   ARG  28          HG1       ARG  28  -5.783  11.384   8.602
  226   1HD   ARG  28          HD2       ARG  28  -4.057  10.464   7.454
  227   2HD   ARG  28          HD1       ARG  28  -3.779  11.919   6.497
  228    HE   ARG  28           HE       ARG  28  -2.448  11.184   8.892
  229   1HH1  ARG  28          HH21      ARG  28  -3.657  13.942   7.137
  230   2HH1  ARG  28          HH22      ARG  28  -2.517  15.046   7.829
  231   1HH2  ARG  28          HH12      ARG  28  -0.942  12.632   9.810
  232   2HH2  ARG  28          HH11      ARG  28  -0.974  14.301   9.349
  233    H    THR  29           HN       THR  29  -7.737  11.559   5.034
  234    HA   THR  29           HA       THR  29  -9.484   9.413   5.984
  235    HB   THR  29           HB       THR  29 -10.022  11.052   3.495
  236    HG1  THR  29           HG1      THR  29 -11.310  12.140   4.715
  237   1HG2  THR  29          HG21      THR  29 -11.606   9.615   2.828
  238   2HG2  THR  29          HG22      THR  29 -12.038   9.154   4.474
  239   3HG2  THR  29          HG23      THR  29 -10.618   8.445   3.705
  240    H    VAL  30           HN       VAL  30  -8.976   7.451   5.145
  241    HA   VAL  30           HA       VAL  30  -6.722   7.380   3.274
  242    HB   VAL  30           HB       VAL  30  -7.799   5.096   4.915
  243   1HG1  VAL  30          HG21      VAL  30  -5.549   5.459   3.043
  244   2HG1  VAL  30          HG22      VAL  30  -6.488   4.016   3.426
  245   3HG1  VAL  30          HG23      VAL  30  -5.205   4.549   4.514
  246   1HG2  VAL  30          HG11      VAL  30  -7.075   6.366   6.641
  247   2HG2  VAL  30          HG12      VAL  30  -6.008   7.332   5.622
  248   3HG2  VAL  30          HG13      VAL  30  -5.507   5.724   6.147
  249    H    ASN  31           HN       ASN  31  -7.165   7.064   1.222
  250    HA   ASN  31           HA       ASN  31  -9.623   5.694   0.433
  251   1HB   ASN  31          HB2       ASN  31  -9.011   7.878  -0.615
  252   2HB   ASN  31          HB1       ASN  31  -7.590   7.103  -1.310
  253   1HD2  ASN  31          HD22      ASN  31  -8.603   7.887  -3.307
  254   2HD2  ASN  31          HD21      ASN  31  -9.773   6.880  -4.083
  255    H    VAL  32           HN       VAL  32  -9.553   3.560   0.096
  256    HA   VAL  32           HA       VAL  32  -7.131   2.114  -0.096
  257    HB   VAL  32           HB       VAL  32  -8.375   0.162  -0.231
  258   1HG1  VAL  32          HG11      VAL  32  -8.786   1.467   1.831
  259   2HG1  VAL  32          HG12      VAL  32 -10.106   0.372   1.425
  260   3HG1  VAL  32          HG13      VAL  32 -10.262   2.099   1.100
  261   1HG2  VAL  32          HG21      VAL  32 -10.089  -0.192  -1.596
  262   2HG2  VAL  32          HG22      VAL  32  -9.883   1.469  -2.156
  263   3HG2  VAL  32          HG23      VAL  32 -11.031   1.109  -0.866
  264    H    LYS  33           HN       LYS  33  -7.420   0.265  -2.096
  265    HA   LYS  33           HA       LYS  33  -6.223   1.516  -4.273
  266   1HB   LYS  33          HB2       LYS  33  -6.810  -1.108  -3.509
  267   2HB   LYS  33          HB1       LYS  33  -7.615  -0.905  -5.058
  268   1HG   LYS  33          HG2       LYS  33  -4.942   0.179  -5.128
  269   2HG   LYS  33          HG1       LYS  33  -4.941  -1.512  -4.622
  270   1HD   LYS  33          HD2       LYS  33  -6.762  -1.356  -6.744
  271   2HD   LYS  33          HD1       LYS  33  -5.372  -0.388  -7.237
  272   1HE   LYS  33          HE1       LYS  33  -4.889  -3.058  -6.013
  273   2HE   LYS  33          HE2       LYS  33  -5.464  -2.986  -7.678
  274   1HZ   LYS  33          HZ1       LYS  33  -3.193  -1.301  -6.901
  275   2HZ   LYS  33          HZ2       LYS  33  -3.548  -2.006  -8.398
  276   3HZ   LYS  33          HZ3       LYS  33  -2.926  -2.954  -7.142
  277    H    ASP  34           HN       ASP  34  -7.211   0.981  -6.614
  278    HA   ASP  34           HA       ASP  34  -9.592   2.640  -6.774
  279   1HB   ASP  34          HB2       ASP  34  -7.335   2.045  -8.491
  280   2HB   ASP  34          HB1       ASP  34  -8.853   1.851  -9.363
  281    H    ARG  35           HN       ARG  35  -8.519  -0.578  -7.814
  282    HA   ARG  35           HA       ARG  35 -11.209  -1.298  -8.633
  283   1HB   ARG  35          HB2       ARG  35  -8.740  -3.038  -8.474
  284   2HB   ARG  35          HB1       ARG  35 -10.242  -3.424  -9.300
  285   1HG   ARG  35          HG2       ARG  35  -9.857  -1.576 -10.857
  286   2HG   ARG  35          HG1       ARG  35  -8.336  -1.212 -10.036
  287   1HD   ARG  35          HD1       ARG  35  -7.952  -3.813 -10.531
  288   2HD   ARG  35          HD2       ARG  35  -9.025  -3.426 -11.874
  289    HE   ARG  35           HE       ARG  35  -6.298  -2.576 -11.530
  290   1HH1  ARG  35          HH22      ARG  35  -9.344  -1.901 -13.082
  291   2HH1  ARG  35          HH21      ARG  35  -8.630  -0.998 -14.378
  292   1HH2  ARG  35          HH12      ARG  35  -5.350  -1.390 -13.231
  293   2HH2  ARG  35          HH11      ARG  35  -6.360  -0.709 -14.462
  294    H    ARG  36           HN       ARG  36  -9.488  -3.847  -7.156
  295    HA   ARG  36           HA       ARG  36 -11.514  -4.162  -5.144
  296   1HB   ARG  36          HB2       ARG  36  -8.997  -5.772  -5.135
  297   2HB   ARG  36          HB1       ARG  36 -10.644  -6.276  -4.789
  298   1HG   ARG  36          HG1       ARG  36 -10.940  -6.964  -6.872
  299   2HG   ARG  36          HG2       ARG  36 -10.415  -5.408  -7.518
  300   1HD   ARG  36          HD2       ARG  36  -8.079  -6.112  -7.296
  301   2HD   ARG  36          HD1       ARG  36  -8.612  -7.674  -6.675
  302    HE   ARG  36           HE       ARG  36  -9.799  -7.161  -9.189
  303   1HH1  ARG  36          HH11      ARG  36  -6.756  -8.034  -7.733
  304   2HH1  ARG  36          HH12      ARG  36  -6.184  -8.882  -9.130
  305   1HH2  ARG  36          HH21      ARG  36  -9.054  -8.275 -11.033
  306   2HH2  ARG  36          HH22      ARG  36  -7.491  -9.020 -11.005
  307    H    ILE  37           HN       ILE  37  -8.149  -4.738  -4.408
  308    HA   ILE  37           HA       ILE  37  -7.911  -2.454  -2.645
  309    HB   ILE  37           HB       ILE  37  -8.791  -5.029  -1.650
  310   1HG1  ILE  37          HG12      ILE  37  -9.644  -2.671  -1.172
  311   2HG1  ILE  37          HG11      ILE  37  -9.498  -3.756   0.207
  312   1HG2  ILE  37          HG21      ILE  37  -7.292  -5.381   0.157
  313   2HG2  ILE  37          HG22      ILE  37  -6.384  -3.917  -0.224
  314   3HG2  ILE  37          HG23      ILE  37  -6.323  -5.303  -1.313
  315   1HD1  ILE  37          HD11      ILE  37  -8.715  -1.591   0.832
  316   2HD1  ILE  37          HD12      ILE  37  -7.624  -1.535  -0.554
  317   3HD1  ILE  37          HD13      ILE  37  -7.335  -2.686   0.752
  318    H    PHE  38           HN       PHE  38  -5.772  -2.227  -1.768
  319    HA   PHE  38           HA       PHE  38  -3.755  -3.513  -3.441
  320   1HB   PHE  38          HB1       PHE  38  -3.969  -0.941  -2.814
  321   2HB   PHE  38          HB2       PHE  38  -3.060  -1.450  -1.394
  322    HD1  PHE  38           HD1      PHE  38  -2.914  -0.637  -4.886
  323    HD2  PHE  38           HD2      PHE  38  -0.833  -2.562  -1.712
  324    HE1  PHE  38           HE1      PHE  38  -0.827  -0.510  -6.183
  325    HE2  PHE  38           HE2      PHE  38   1.258  -2.440  -3.004
  326    HZ   PHE  38           HZ       PHE  38   1.262  -1.412  -5.242
  327    H    GLY  39           HN       GLY  39  -1.962  -4.612  -2.572
  328   1HA   GLY  39          HA1       GLY  39  -1.052  -6.226  -1.207
  329   2HA   GLY  39          HA2       GLY  39  -1.237  -4.995   0.032
  330    H    ARG  40           HN       ARG  40  -2.563  -7.903  -1.352
  331    HA   ARG  40           HA       ARG  40  -4.726  -7.971   0.603
  332   1HB   ARG  40          HB1       ARG  40  -4.610  -8.862  -1.968
  333   2HB   ARG  40          HB2       ARG  40  -4.253 -10.341  -1.087
  334   1HG   ARG  40          HG1       ARG  40  -6.580  -8.688  -0.246
  335   2HG   ARG  40          HG2       ARG  40  -6.712  -9.702  -1.685
  336   1HD   ARG  40          HD1       ARG  40  -5.697 -10.804   0.912
  337   2HD   ARG  40          HD2       ARG  40  -7.425 -10.692   0.579
  338    HE   ARG  40           HE       ARG  40  -5.504 -12.304  -0.969
  339   1HH1  ARG  40          HH12      ARG  40  -8.747 -11.609   0.106
  340   2HH1  ARG  40          HH11      ARG  40  -9.426 -13.034  -0.609
  341   1HH2  ARG  40          HH21      ARG  40  -6.390 -14.180  -1.911
  342   2HH2  ARG  40          HH22      ARG  40  -8.086 -14.495  -1.755
  343    H    ALA  41           HN       ALA  41  -3.585  -8.185   2.517
  344    HA   ALA  41           HA       ALA  41  -1.805 -10.481   2.819
  345   1HB   ALA  41          HB1       ALA  41  -1.354  -9.465   5.068
  346   2HB   ALA  41          HB2       ALA  41  -2.387  -8.115   4.587
  347   3HB   ALA  41          HB3       ALA  41  -0.909  -8.461   3.686
  348    H    ASP  42           HN       ASP  42  -2.722 -12.349   3.360
  349    HA   ASP  42           HA       ASP  42  -5.236 -12.440   4.777
  350   1HB   ASP  42          HB1       ASP  42  -4.171 -15.029   4.688
  351   2HB   ASP  42          HB2       ASP  42  -5.370 -14.341   3.598
  352    H    ASP  43           HN       ASP  43  -1.839 -12.920   5.436
  353    HA   ASP  43           HA       ASP  43  -2.361 -13.870   8.142
  354   1HB   ASP  43          HB2       ASP  43  -0.326 -14.378   6.355
  355   2HB   ASP  43          HB1       ASP  43   0.414 -13.215   7.452
  356    H    PHE  44           HN       PHE  44  -2.276 -12.622   9.922
  357    HA   PHE  44           HA       PHE  44  -2.362  -9.837   9.777
  358   1HB   PHE  44          HB1       PHE  44  -3.308 -10.902  11.688
  359   2HB   PHE  44          HB2       PHE  44  -1.789 -11.701  12.082
  360    HD1  PHE  44           HD1      PHE  44  -3.097  -8.236  11.600
  361    HD2  PHE  44           HD2      PHE  44  -0.580 -10.848  13.825
  362    HE1  PHE  44           HE1      PHE  44  -2.516  -6.382  13.111
  363    HE2  PHE  44           HE2      PHE  44   0.006  -9.001  15.340
  364    HZ   PHE  44           HZ       PHE  44  -0.962  -6.764  14.985
  365    H    GLU  45           HN       GLU  45   0.332 -12.033  10.244
  366    HA   GLU  45           HA       GLU  45   2.252 -10.101  11.017
  367   1HB   GLU  45          HB1       GLU  45   2.217 -12.924  10.305
  368   2HB   GLU  45          HB2       GLU  45   3.649 -12.110   9.689
  369   1HG   GLU  45          HG2       GLU  45   3.441 -11.186  12.280
  370   2HG   GLU  45          HG1       GLU  45   2.963 -12.879  12.397
  371    H    GLU  46           HN       GLU  46   1.341 -11.476   7.881
  372    HA   GLU  46           HA       GLU  46   3.292 -10.070   6.376
  373   1HB   GLU  46          HB1       GLU  46   1.023 -11.829   5.844
  374   2HB   GLU  46          HB2       GLU  46   1.194 -10.566   4.633
  375   1HG   GLU  46          HG1       GLU  46   2.645 -11.929   3.649
  376   2HG   GLU  46          HG2       GLU  46   3.766 -11.452   4.924
  377    H    ALA  47           HN       ALA  47   0.187  -9.233   7.646
  378    HA   ALA  47           HA       ALA  47  -0.553  -7.151   5.928
  379   1HB   ALA  47          HB1       ALA  47  -2.292  -7.582   7.299
  380   2HB   ALA  47          HB2       ALA  47  -1.568  -6.303   8.273
  381   3HB   ALA  47          HB3       ALA  47  -1.254  -7.994   8.664
  382    H    SER  48           HN       SER  48   1.224  -6.994   9.013
  383    HA   SER  48           HA       SER  48   1.697  -4.241   8.994
  384   1HB   SER  48          HB2       SER  48   2.566  -6.533  10.532
  385   2HB   SER  48          HB1       SER  48   3.900  -5.409  10.281
  386    HG   SER  48           HG       SER  48   1.522  -4.209  10.957
  387    H    GLU  49           HN       GLU  49   3.575  -6.902   7.623
  388    HA   GLU  49           HA       GLU  49   5.816  -5.326   6.889
  389   1HB   GLU  49          HB2       GLU  49   5.081  -8.059   6.787
  390   2HB   GLU  49          HB1       GLU  49   5.515  -7.587   5.150
  391   1HG   GLU  49          HG2       GLU  49   7.670  -6.782   5.932
  392   2HG   GLU  49          HG1       GLU  49   7.234  -7.193   7.589
  393    H    LEU  50           HN       LEU  50   2.832  -6.197   5.250
  394    HA   LEU  50           HA       LEU  50   3.592  -5.280   2.675
  395   1HB   LEU  50          HB1       LEU  50   1.191  -6.291   3.976
  396   2HB   LEU  50          HB2       LEU  50   0.832  -5.029   2.814
  397    HG   LEU  50           HG       LEU  50   2.081  -6.323   1.089
  398   1HD1  LEU  50          HD21      LEU  50   2.061  -8.893   2.162
  399   2HD1  LEU  50          HD22      LEU  50   2.803  -7.883   3.403
  400   3HD1  LEU  50          HD23      LEU  50   3.473  -7.912   1.772
  401   1HD2  LEU  50          HD11      LEU  50   0.357  -8.324   1.196
  402   2HD2  LEU  50          HD12      LEU  50  -0.153  -6.677   0.820
  403   3HD2  LEU  50          HD13      LEU  50  -0.364  -7.316   2.450
  404    H    VAL  51           HN       VAL  51   1.831  -3.786   5.356
  405    HA   VAL  51           HA       VAL  51   1.240  -1.349   4.087
  406    HB   VAL  51           HB       VAL  51   1.619  -1.948   7.019
  407   1HG1  VAL  51          HG21      VAL  51   1.630   0.292   7.204
  408   2HG1  VAL  51          HG22      VAL  51  -0.105   0.137   6.932
  409   3HG1  VAL  51          HG23      VAL  51   0.966   0.531   5.588
  410   1HG2  VAL  51          HG11      VAL  51  -0.978  -1.755   6.847
  411   2HG2  VAL  51          HG12      VAL  51  -0.170  -3.258   6.401
  412   3HG2  VAL  51          HG13      VAL  51  -0.697  -2.134   5.147
  413    H    ARG  52           HN       ARG  52   3.969  -2.320   6.153
  414    HA   ARG  52           HA       ARG  52   5.220   0.192   6.265
  415   1HB   ARG  52          HB1       ARG  52   5.877  -2.551   6.974
  416   2HB   ARG  52          HB2       ARG  52   7.279  -1.689   6.356
  417   1HG   ARG  52          HG2       ARG  52   6.256   0.149   8.064
  418   2HG   ARG  52          HG1       ARG  52   5.818  -1.357   8.874
  419   1HD   ARG  52          HD1       ARG  52   7.965  -0.666   9.679
  420   2HD   ARG  52          HD2       ARG  52   8.182  -2.091   8.664
  421    HE   ARG  52           HE       ARG  52   9.356  -0.812   7.155
  422   1HH1  ARG  52          HH21      ARG  52   7.795   1.258   9.483
  423   2HH1  ARG  52          HH22      ARG  52   8.641   2.682   8.976
  424   1HH2  ARG  52          HH11      ARG  52  10.474   1.056   6.481
  425   2HH2  ARG  52          HH12      ARG  52  10.164   2.567   7.270
  426    H    LYS  53           HN       LYS  53   5.577  -2.503   3.994
  427    HA   LYS  53           HA       LYS  53   7.621  -1.286   2.434
  428   1HB   LYS  53          HB2       LYS  53   6.039  -3.704   2.356
  429   2HB   LYS  53          HB1       LYS  53   6.116  -2.975   0.759
  430   1HG   LYS  53          HG1       LYS  53   7.993  -4.211   0.621
  431   2HG   LYS  53          HG2       LYS  53   8.698  -2.808   1.428
  432   1HD   LYS  53          HD2       LYS  53   9.200  -4.010   3.232
  433   2HD   LYS  53          HD1       LYS  53   7.549  -4.625   3.348
  434   1HE   LYS  53          HE2       LYS  53   8.013  -6.453   1.951
  435   2HE   LYS  53          HE1       LYS  53   9.511  -5.730   1.365
  436   1HZ   LYS  53          HZ1       LYS  53  10.651  -6.379   3.195
  437   2HZ   LYS  53          HZ2       LYS  53   9.486  -7.604   3.202
  438   3HZ   LYS  53          HZ3       LYS  53   9.315  -6.270   4.227
  439    H    LEU  54           HN       LEU  54   4.135  -1.192   2.483
  440    HA   LEU  54           HA       LEU  54   3.747   0.140   0.002
  441   1HB   LEU  54          HB1       LEU  54   2.144  -0.741   2.243
  442   2HB   LEU  54          HB2       LEU  54   1.662   0.864   1.736
  443    HG   LEU  54           HG       LEU  54   0.335  -0.918   0.667
  444   1HD1  LEU  54          HD11      LEU  54   0.304   1.024  -0.579
  445   2HD1  LEU  54          HD12      LEU  54   0.870  -0.165  -1.753
  446   3HD1  LEU  54          HD13      LEU  54   2.020   0.922  -0.974
  447   1HD2  LEU  54          HD21      LEU  54   2.788  -2.198   0.393
  448   2HD2  LEU  54          HD22      LEU  54   2.318  -1.758  -1.248
  449   3HD2  LEU  54          HD23      LEU  54   1.234  -2.727  -0.250
  450    H    GLN  55           HN       GLN  55   4.741   1.144   3.145
  451    HA   GLN  55           HA       GLN  55   3.953   3.853   3.025
  452   1HB   GLN  55          HB1       GLN  55   5.697   2.206   4.727
  453   2HB   GLN  55          HB2       GLN  55   6.142   3.902   4.644
  454   1HG   GLN  55          HG1       GLN  55   4.072   4.596   5.516
  455   2HG   GLN  55          HG2       GLN  55   3.345   3.010   5.262
  456   1HE2  GLN  55          HE22      GLN  55   4.967   5.032   7.422
  457   2HE2  GLN  55          HE21      GLN  55   5.229   3.885   8.687
  458    H    GLU  56           HN       GLU  56   6.079   5.406   3.521
  459    HA   GLU  56           HA       GLU  56   7.212   5.750   0.899
  460   1HB   GLU  56          HB1       GLU  56   6.470   7.682   2.221
  461   2HB   GLU  56          HB2       GLU  56   7.663   7.304   3.455
  462   1HG   GLU  56          HG1       GLU  56   9.462   7.821   1.987
  463   2HG   GLU  56          HG2       GLU  56   8.372   7.949   0.607
  464    H    GLU  57           HN       GLU  57   8.762   4.324   0.376
  465    HA   GLU  57           HA       GLU  57  10.706   3.376   2.258
  466   1HB   GLU  57          HB1       GLU  57  10.731   3.127  -0.756
  467   2HB   GLU  57          HB2       GLU  57  11.648   2.154   0.387
  468   1HG   GLU  57          HG2       GLU  57   8.841   2.038   0.991
  469   2HG   GLU  57          HG1       GLU  57   9.136   1.603  -0.691
  470    H    LYS  58           HN       LYS  58  13.013   3.669   2.063
  471    HA   LYS  58           HA       LYS  58  13.700   6.410   1.602
  472   1HB   LYS  58          HB1       LYS  58  15.355   4.032   2.450
  473   2HB   LYS  58          HB2       LYS  58  15.984   5.670   2.333
  474   1HG   LYS  58          HG2       LYS  58  14.216   6.358   3.978
  475   2HG   LYS  58          HG1       LYS  58  13.869   4.642   4.204
  476   1HD   LYS  58          HD1       LYS  58  15.365   5.068   5.917
  477   2HD   LYS  58          HD2       LYS  58  16.420   4.448   4.644
  478   1HE   LYS  58          HE2       LYS  58  17.590   6.310   5.297
  479   2HE   LYS  58          HE1       LYS  58  16.608   6.978   3.994
  480   1HZ   LYS  58          HZ1       LYS  58  16.605   8.383   5.975
  481   2HZ   LYS  58          HZ2       LYS  58  15.933   7.123   6.881
  482   3HZ   LYS  58          HZ3       LYS  58  15.052   7.818   5.615
  483    H    TYR  59           HN       TYR  59  14.880   7.292  -0.014
  484    HA   TYR  59           HA       TYR  59  15.289   5.647  -2.381
  485   1HB   TYR  59          HB1       TYR  59  14.778   8.463  -1.846
  486   2HB   TYR  59          HB2       TYR  59  16.093   8.240  -2.994
  487    HD1  TYR  59           HD1      TYR  59  15.472   8.314  -5.205
  488    HD2  TYR  59           HD2      TYR  59  12.727   6.720  -2.370
  489    HE1  TYR  59           HE1      TYR  59  13.842   7.932  -7.006
  490    HE2  TYR  59           HE2      TYR  59  11.090   6.334  -4.164
  491    HH   TYR  59           HH       TYR  59  11.589   6.022  -7.076
  492    H    GLY  60           HN       GLY  60  17.076   6.570   0.265
  493   1HA   GLY  60          HA1       GLY  60  19.606   6.563  -1.251
  494   2HA   GLY  60          HA2       GLY  60  19.404   7.235   0.361
  495    H    SER  61           HN       SER  61  19.025   4.137  -1.358
  496    HA   SER  61           HA       SER  61  19.658   2.684   1.078
  497   1HB   SER  61          HB2       SER  61  17.969   2.106  -0.962
  498   2HB   SER  61          HB1       SER  61  19.396   1.203  -1.472
  499    HG   SER  61           HG       SER  61  17.855   0.084  -0.045
  500    H    CYS  62           HN       CYS  62  21.465   1.440   1.411
  501    HA   CYS  62           HA       CYS  62  23.644   1.779  -0.543
  502   1HB   CYS  62          HB1       CYS  62  23.705   1.766   2.472
  503   2HB   CYS  62          HB2       CYS  62  25.154   1.506   1.506
  504    HG   CYS  62           HG       CYS  62  23.771   4.096   0.768
  505    H    HIS  63           HN       HIS  63  25.286   0.049  -0.509
  506    HA   HIS  63           HA       HIS  63  23.972  -2.547  -0.239
  507   1HB   HIS  63          HB1       HIS  63  26.075  -1.429  -1.964
  508   2HB   HIS  63          HB2       HIS  63  26.396  -3.068  -1.402
  509    HD2  HIS  63           HD2      HIS  63  23.841  -4.697  -1.813
  510    HE1  HIS  63           HE1      HIS  63  23.353  -2.732  -5.530
  511    HE2  HIS  63           HE2      HIS  63  22.657  -4.724  -4.122
  512    H    PHE  64           HN       PHE  64  25.849  -0.623   1.634
  513    HA   PHE  64           HA       PHE  64  27.749  -2.509   2.637
  514   1HB   PHE  64          HB2       PHE  64  27.872   0.052   2.767
  515   2HB   PHE  64          HB1       PHE  64  26.753  -0.080   4.120
  516    HD1  PHE  64           HD1      PHE  64  27.534  -0.515   6.265
  517    HD2  PHE  64           HD2      PHE  64  30.076  -1.220   2.926
  518    HE1  PHE  64           HE1      PHE  64  29.420  -0.923   7.792
  519    HE2  PHE  64           HE2      PHE  64  31.966  -1.630   4.446
  520    HZ   PHE  64           HZ       PHE  64  31.640  -1.482   6.883
  521    H    THR  65           HN       THR  65  24.561  -1.380   3.670
  522    HA   THR  65           HA       THR  65  24.571  -3.311   5.870
  523    HB   THR  65           HB       THR  65  22.477  -1.235   5.200
  524    HG1  THR  65           HG1      THR  65  24.904  -0.799   6.029
  525   1HG2  THR  65          HG21      THR  65  22.069  -3.256   6.842
  526   2HG2  THR  65          HG22      THR  65  21.478  -1.632   7.192
  527   3HG2  THR  65          HG23      THR  65  22.960  -2.214   7.950
  528    H    ASN  66           HN       ASN  66  24.269  -5.262   4.838
  529    HA   ASN  66           HA       ASN  66  22.350  -5.707   2.804
  530   1HB   ASN  66          HB2       ASN  66  24.122  -7.387   4.490
  531   2HB   ASN  66          HB1       ASN  66  22.711  -8.186   3.799
  532   1HD2  ASN  66          HD21      ASN  66  25.598  -6.341   3.035
  533   2HD2  ASN  66          HD22      ASN  66  25.766  -6.923   1.417
  534    HA   PRO  67           HA       PRO  67  18.531  -5.951   4.995
  535   1HB   PRO  67          HB2       PRO  67  17.897  -8.291   3.283
  536   2HB   PRO  67          HB1       PRO  67  17.015  -6.774   3.490
  537   1HG   PRO  67          HG1       PRO  67  18.408  -7.250   1.267
  538   2HG   PRO  67          HG2       PRO  67  18.369  -5.631   1.992
  539   1HD   PRO  67          HD1       PRO  67  20.523  -7.707   2.100
  540   2HD   PRO  67          HD2       PRO  67  20.663  -5.945   1.918
  541    H    SER  68           HN       SER  68  20.161  -9.036   4.331
  542    HA   SER  68           HA       SER  68  18.877 -10.342   6.563
  543   1HB   SER  68          HB1       SER  68  20.089 -12.309   5.895
  544   2HB   SER  68          HB2       SER  68  19.505 -11.523   4.428
  545    HG   SER  68           HG       SER  68  21.908 -10.539   5.046
  546    H    LYS  69           HN       LYS  69  21.369  -8.191   6.302
  547    HA   LYS  69           HA       LYS  69  23.062  -9.365   8.353
  548   1HB   LYS  69          HB1       LYS  69  23.531  -7.629   6.241
  549   2HB   LYS  69          HB2       LYS  69  23.613  -6.587   7.655
  550   1HG   LYS  69          HG2       LYS  69  25.124  -8.622   8.523
  551   2HG   LYS  69          HG1       LYS  69  25.414  -8.754   6.786
  552   1HD   LYS  69          HD2       LYS  69  27.060  -7.269   7.322
  553   2HD   LYS  69          HD1       LYS  69  25.742  -6.136   7.014
  554   1HE   LYS  69          HE1       LYS  69  25.606  -5.513   9.169
  555   2HE   LYS  69          HE2       LYS  69  25.862  -7.155   9.761
  556   1HZ   LYS  69          HZ1       LYS  69  28.271  -6.457   8.708
  557   2HZ   LYS  69          HZ2       LYS  69  27.869  -6.444  10.352
  558   3HZ   LYS  69          HZ3       LYS  69  27.746  -5.025   9.439
  559    H    ARG  70           HN       ARG  70  23.661  -8.089  10.272
  560    HA   ARG  70           HA       ARG  70  21.283  -7.098  11.574
  561   1HB   ARG  70          HB2       ARG  70  23.776  -8.256  12.387
  562   2HB   ARG  70          HB1       ARG  70  23.551  -6.732  13.234
  563   1HG   ARG  70          HG1       ARG  70  22.545  -8.207  14.668
  564   2HG   ARG  70          HG2       ARG  70  21.167  -7.661  13.711
  565   1HD   ARG  70          HD2       ARG  70  21.466  -9.655  12.255
  566   2HD   ARG  70          HD1       ARG  70  22.725 -10.217  13.354
  567    HE   ARG  70           HE       ARG  70  21.079 -10.594  15.006
  568   1HH1  ARG  70          HH11      ARG  70  19.753  -9.537  11.960
  569   2HH1  ARG  70          HH12      ARG  70  18.148 -10.077  12.326
  570   1HH2  ARG  70          HH21      ARG  70  18.971 -11.307  15.493
  571   2HH2  ARG  70          HH22      ARG  70  17.704 -11.083  14.334
  572    H    GLU  71           HN       GLU  71  24.451  -5.695  12.154
  573    HA   GLU  71           HA       GLU  71  23.297  -3.040  11.829
  574   1HB   GLU  71          HB2       GLU  71  24.808  -3.887  13.794
  575   2HB   GLU  71          HB1       GLU  71  26.126  -3.543  12.684
  576   1HG   GLU  71          HG2       GLU  71  26.076  -1.464  13.444
  577   2HG   GLU  71          HG1       GLU  71  24.554  -1.271  12.574
  Start of MODEL   15
    1   1H    MET   1          HT1       MET   1  -9.136 -13.041   7.075
    2   2H    MET   1          HT2       MET   1  -9.489 -13.648   5.509
    3   3H    MET   1          HT3       MET   1 -10.053 -12.097   5.976
    4    HA   MET   1           HA       MET   1  -7.201 -12.656   6.048
    5   1HB   MET   1          HB2       MET   1  -7.128 -11.892   3.645
    6   2HB   MET   1          HB1       MET   1  -7.781 -13.505   3.892
    7   1HG   MET   1          HG2       MET   1  -9.987 -11.810   4.007
    8   2HG   MET   1          HG1       MET   1  -8.997 -11.194   2.685
    9   1HE   MET   1          HE1       MET   1 -11.604 -14.854   2.783
   10   2HE   MET   1          HE2       MET   1 -11.457 -13.538   3.947
   11   3HE   MET   1          HE3       MET   1 -10.323 -14.888   3.994
   12    H    TYR   2           HN       TYR   2  -6.246 -10.526   4.895
   13    HA   TYR   2           HA       TYR   2  -7.730  -8.210   5.939
   14   1HB   TYR   2          HB2       TYR   2  -5.068  -9.186   6.699
   15   2HB   TYR   2          HB1       TYR   2  -5.089  -7.485   6.254
   16    HD1  TYR   2           HD1      TYR   2  -8.265  -7.910   7.434
   17    HD2  TYR   2           HD2      TYR   2  -4.257  -7.910   8.866
   18    HE1  TYR   2           HE1      TYR   2  -9.073  -7.330   9.682
   19    HE2  TYR   2           HE2      TYR   2  -5.058  -7.329  11.118
   20    HH   TYR   2           HH       TYR   2  -8.128  -7.671  12.125
   21    H    ILE   3           HN       ILE   3  -7.044  -6.149   5.015
   22    HA   ILE   3           HA       ILE   3  -5.922  -6.405   2.300
   23    HB   ILE   3           HB       ILE   3  -7.503  -4.589   1.614
   24   1HG1  ILE   3          HG11      ILE   3  -9.173  -5.271   4.008
   25   2HG1  ILE   3          HG12      ILE   3  -7.922  -4.039   4.145
   26   1HG2  ILE   3          HG21      ILE   3  -7.951  -6.918   1.050
   27   2HG2  ILE   3          HG22      ILE   3  -9.447  -6.032   1.348
   28   3HG2  ILE   3          HG23      ILE   3  -8.812  -7.127   2.577
   29   1HD1  ILE   3          HD11      ILE   3  -8.972  -2.655   2.564
   30   2HD1  ILE   3          HD12      ILE   3 -10.252  -3.233   3.631
   31   3HD1  ILE   3          HD13      ILE   3 -10.047  -3.948   2.032
   32    H    ILE   4           HN       ILE   4  -5.062  -4.350   1.443
   33    HA   ILE   4           HA       ILE   4  -4.263  -2.472   3.564
   34    HB   ILE   4           HB       ILE   4  -2.545  -3.872   1.564
   35   1HG1  ILE   4          HG11      ILE   4  -1.019  -3.376   3.743
   36   2HG1  ILE   4          HG12      ILE   4  -2.618  -3.347   4.479
   37   1HG2  ILE   4          HG21      ILE   4  -2.381  -1.014   2.169
   38   2HG2  ILE   4          HG22      ILE   4  -1.664  -1.942   0.851
   39   3HG2  ILE   4          HG23      ILE   4  -0.878  -1.901   2.432
   40   1HD1  ILE   4          HD11      ILE   4  -1.913  -5.615   2.696
   41   2HD1  ILE   4          HD12      ILE   4  -2.986  -5.564   4.094
   42   3HD1  ILE   4          HD13      ILE   4  -1.238  -5.560   4.324
   43    H    PHE   5           HN       PHE   5  -4.003  -0.289   2.908
   44    HA   PHE   5           HA       PHE   5  -4.863   0.385   0.194
   45   1HB   PHE   5          HB1       PHE   5  -6.245   2.253   1.653
   46   2HB   PHE   5          HB2       PHE   5  -6.942   0.814   0.924
   47    HD1  PHE   5           HD1      PHE   5  -7.218  -1.254   2.335
   48    HD2  PHE   5           HD2      PHE   5  -6.249   2.556   3.962
   49    HE1  PHE   5           HE1      PHE   5  -7.971  -2.011   4.551
   50    HE2  PHE   5           HE2      PHE   5  -7.001   1.805   6.177
   51    HZ   PHE   5           HZ       PHE   5  -7.861  -0.477   6.475
   52    H    ARG   6           HN       ARG   6  -5.117   3.128   0.474
   53    HA   ARG   6           HA       ARG   6  -2.579   4.007   1.662
   54   1HB   ARG   6          HB2       ARG   6  -3.299   3.943  -1.200
   55   2HB   ARG   6          HB1       ARG   6  -2.585   5.449  -0.641
   56   1HG   ARG   6          HG1       ARG   6  -0.560   4.489  -0.197
   57   2HG   ARG   6          HG2       ARG   6  -1.255   2.891   0.084
   58   1HD   ARG   6          HD2       ARG   6   0.012   2.900  -1.984
   59   2HD   ARG   6          HD1       ARG   6  -1.705   2.677  -2.320
   60    HE   ARG   6           HE       ARG   6  -1.769   4.773  -3.315
   61   1HH1  ARG   6          HH11      ARG   6   1.354   4.173  -1.889
   62   2HH1  ARG   6          HH12      ARG   6   2.120   5.499  -2.697
   63   1HH2  ARG   6          HH22      ARG   6  -0.769   6.521  -4.382
   64   2HH2  ARG   6          HH21      ARG   6   0.914   6.834  -4.115
   65    H    CYS   7           HN       CYS   7  -2.752   5.862   2.745
   66    HA   CYS   7           HA       CYS   7  -5.233   7.299   2.764
   67   1HB   CYS   7          HB2       CYS   7  -3.527   6.859   4.716
   68   2HB   CYS   7          HB1       CYS   7  -2.756   8.317   4.100
   69    HG   CYS   7           HG       CYS   7  -5.091   8.303   5.902
   70    H    ASP   8           HN       ASP   8  -5.260   9.717   2.552
   71    HA   ASP   8           HA       ASP   8  -4.416  10.473   0.003
   72   1HB   ASP   8          HB2       ASP   8  -5.227  12.682   0.536
   73   2HB   ASP   8          HB1       ASP   8  -6.305  11.502   1.277
   74    H    CYS   9           HN       CYS   9  -2.854  10.806   3.103
   75    HA   CYS   9           HA       CYS   9  -0.838  12.650   2.244
   76   1HB   CYS   9          HB2       CYS   9  -0.975  10.763   4.603
   77   2HB   CYS   9          HB1       CYS   9   0.305  11.949   4.360
   78    HG   CYS   9           HG       CYS   9  -2.214  13.470   4.370
   79    H    GLY  10           HN       GLY  10  -1.461   9.690   1.176
   80   1HA   GLY  10          HA1       GLY  10  -0.158   8.322  -0.192
   81   2HA   GLY  10          HA2       GLY  10   1.272   9.206   0.329
   82    H    ARG  11           HN       ARG  11  -0.832   8.196   2.806
   83    HA   ARG  11           HA       ARG  11   1.196   6.432   3.877
   84   1HB   ARG  11          HB1       ARG  11  -1.538   6.947   5.040
   85   2HB   ARG  11          HB2       ARG  11  -0.092   6.401   5.878
   86   1HG   ARG  11          HG2       ARG  11   0.913   8.662   5.167
   87   2HG   ARG  11          HG1       ARG  11  -0.761   9.135   4.864
   88   1HD   ARG  11          HD2       ARG  11  -0.898   9.652   7.024
   89   2HD   ARG  11          HD1       ARG  11  -0.831   7.923   7.357
   90    HE   ARG  11           HE       ARG  11   1.500   8.137   7.788
   91   1HH1  ARG  11          HH12      ARG  11  -0.145  11.167   7.280
   92   2HH1  ARG  11          HH11      ARG  11   1.090  12.112   8.040
   93   1HH2  ARG  11          HH22      ARG  11   3.133   9.375   8.790
   94   2HH2  ARG  11          HH21      ARG  11   2.954  11.095   8.898
   95    H    ALA  12           HN       ALA  12  -0.312   4.568   5.244
   96    HA   ALA  12           HA       ALA  12  -2.022   3.128   3.434
   97   1HB   ALA  12          HB1       ALA  12  -0.479   1.881   2.439
   98   2HB   ALA  12          HB2       ALA  12  -0.108   1.168   4.009
   99   3HB   ALA  12          HB3       ALA  12   0.796   2.572   3.443
  100    H    LEU  13           HN       LEU  13  -3.107   1.364   4.453
  101    HA   LEU  13           HA       LEU  13  -2.469   0.867   7.259
  102   1HB   LEU  13          HB1       LEU  13  -4.904   2.247   6.289
  103   2HB   LEU  13          HB2       LEU  13  -5.127   1.041   7.542
  104    HG   LEU  13           HG       LEU  13  -2.997   3.054   8.002
  105   1HD1  LEU  13          HD21      LEU  13  -5.838   3.731   7.596
  106   2HD1  LEU  13          HD22      LEU  13  -4.396   4.737   7.454
  107   3HD1  LEU  13          HD23      LEU  13  -5.078   4.394   9.044
  108   1HD2  LEU  13          HD11      LEU  13  -5.110   2.318   9.952
  109   2HD2  LEU  13          HD12      LEU  13  -3.389   2.607  10.201
  110   3HD2  LEU  13          HD13      LEU  13  -3.933   1.085   9.498
  111    H    TYR  14           HN       TYR  14  -4.532  -0.653   8.051
  112    HA   TYR  14           HA       TYR  14  -4.924  -2.733   6.017
  113   1HB   TYR  14          HB2       TYR  14  -4.329  -4.465   7.728
  114   2HB   TYR  14          HB1       TYR  14  -2.970  -3.480   7.196
  115    HD1  TYR  14           HD1      TYR  14  -2.036  -1.746   8.695
  116    HD2  TYR  14           HD2      TYR  14  -5.071  -4.425  10.003
  117    HE1  TYR  14           HE1      TYR  14  -1.524  -1.176  11.031
  118    HE2  TYR  14           HE2      TYR  14  -4.567  -3.863  12.343
  119    HH   TYR  14           HH       TYR  14  -3.322  -1.473  13.435
  120    H    SER  15           HN       SER  15  -6.835  -3.835   6.181
  121    HA   SER  15           HA       SER  15  -8.442  -3.729   8.575
  122   1HB   SER  15          HB1       SER  15  -8.935  -1.555   7.410
  123   2HB   SER  15          HB2       SER  15  -9.556  -2.489   6.048
  124    HG   SER  15           HG       SER  15 -11.325  -2.841   7.122
  125    H    ARG  16           HN       ARG  16 -10.815  -4.633   7.785
  126    HA   ARG  16           HA       ARG  16 -10.217  -7.273   6.846
  127   1HB   ARG  16          HB1       ARG  16 -12.514  -7.785   7.268
  128   2HB   ARG  16          HB2       ARG  16 -11.930  -6.783   8.588
  129   1HG   ARG  16          HG1       ARG  16 -12.972  -5.009   6.694
  130   2HG   ARG  16          HG2       ARG  16 -14.123  -6.344   6.799
  131   1HD   ARG  16          HD1       ARG  16 -14.055  -6.095   9.283
  132   2HD   ARG  16          HD2       ARG  16 -13.080  -4.645   9.054
  133    HE   ARG  16           HE       ARG  16 -14.955  -3.529   8.236
  134   1HH1  ARG  16          HH11      ARG  16 -15.671  -6.869   8.929
  135   2HH1  ARG  16          HH12      ARG  16 -17.388  -6.649   8.858
  136   1HH2  ARG  16          HH22      ARG  16 -17.213  -3.231   8.141
  137   2HH2  ARG  16          HH21      ARG  16 -18.263  -4.582   8.410
  138    H    GLU  17           HN       GLU  17 -11.104  -8.311   5.010
  139    HA   GLU  17           HA       GLU  17 -10.896  -6.902   2.610
  140   1HB   GLU  17          HB1       GLU  17 -10.595  -9.310   2.709
  141   2HB   GLU  17          HB2       GLU  17 -12.270  -9.531   3.194
  142   1HG   GLU  17          HG2       GLU  17 -12.425  -8.107   0.820
  143   2HG   GLU  17          HG1       GLU  17 -11.127  -9.272   0.556
  144    H    GLY  18           HN       GLY  18 -12.188  -5.249   2.061
  145   1HA   GLY  18          HA1       GLY  18 -14.535  -5.177   0.970
  146   2HA   GLY  18          HA2       GLY  18 -15.068  -5.473   2.618
  147    H    ALA  19           HN       ALA  19 -12.436  -3.685   3.099
  148    HA   ALA  19           HA       ALA  19 -13.932  -1.317   3.657
  149   1HB   ALA  19          HB1       ALA  19 -11.818  -2.308   4.842
  150   2HB   ALA  19          HB2       ALA  19 -12.084  -0.565   4.787
  151   3HB   ALA  19          HB3       ALA  19 -10.955  -1.321   3.663
  152    H    LYS  20           HN       LYS  20 -14.488   0.158   2.209
  153    HA   LYS  20           HA       LYS  20 -13.046   0.377  -0.301
  154   1HB   LYS  20          HB2       LYS  20 -15.319   2.180   0.375
  155   2HB   LYS  20          HB1       LYS  20 -14.906   1.426  -1.158
  156   1HG   LYS  20          HG1       LYS  20 -15.951  -0.120   1.193
  157   2HG   LYS  20          HG2       LYS  20 -16.997   0.588  -0.040
  158   1HD   LYS  20          HD2       LYS  20 -15.589  -0.690  -1.734
  159   2HD   LYS  20          HD1       LYS  20 -14.930  -1.572  -0.354
  160   1HE   LYS  20          HE1       LYS  20 -16.738  -2.847  -1.278
  161   2HE   LYS  20          HE2       LYS  20 -17.248  -2.198   0.280
  162   1HZ   LYS  20          HZ1       LYS  20 -18.601  -1.967  -2.072
  163   2HZ   LYS  20          HZ2       LYS  20 -17.880  -0.447  -1.891
  164   3HZ   LYS  20          HZ3       LYS  20 -18.883  -1.058  -0.673
  165    H    THR  21           HN       THR  21 -13.855   2.411   2.479
  166    HA   THR  21           HA       THR  21 -11.500   4.034   1.965
  167    HB   THR  21           HB       THR  21 -13.060   6.102   2.461
  168    HG1  THR  21           HG1      THR  21 -15.114   5.852   1.926
  169   1HG2  THR  21          HG21      THR  21 -13.157   4.909  -0.290
  170   2HG2  THR  21          HG22      THR  21 -11.744   5.727   0.376
  171   3HG2  THR  21          HG23      THR  21 -13.254   6.611   0.160
  172    H    ARG  22           HN       ARG  22 -10.445   4.141   3.858
  173    HA   ARG  22           HA       ARG  22 -11.981   3.769   6.317
  174   1HB   ARG  22          HB1       ARG  22  -9.405   2.927   5.441
  175   2HB   ARG  22          HB2       ARG  22  -9.192   3.961   6.848
  176   1HG   ARG  22          HG2       ARG  22 -11.333   2.001   7.150
  177   2HG   ARG  22          HG1       ARG  22  -9.736   1.289   6.909
  178   1HD   ARG  22          HD1       ARG  22  -9.052   3.107   8.701
  179   2HD   ARG  22          HD2       ARG  22 -10.755   2.972   9.139
  180    HE   ARG  22           HE       ARG  22  -9.730   0.392   8.961
  181   1HH1  ARG  22          HH11      ARG  22  -9.280   3.255  10.895
  182   2HH1  ARG  22          HH12      ARG  22  -8.803   2.380  12.311
  183   1HH2  ARG  22          HH22      ARG  22  -9.102  -0.770  10.822
  184   2HH2  ARG  22          HH21      ARG  22  -8.702   0.091  12.270
  185    H    LYS  23           HN       LYS  23  -9.904   5.052   7.966
  186    HA   LYS  23           HA       LYS  23 -10.006   7.849   7.177
  187   1HB   LYS  23          HB1       LYS  23 -12.164   7.392   8.347
  188   2HB   LYS  23          HB2       LYS  23 -11.250   6.928   9.775
  189   1HG   LYS  23          HG2       LYS  23 -11.046   9.039  10.414
  190   2HG   LYS  23          HG1       LYS  23 -10.416   9.516   8.836
  191   1HD   LYS  23          HD2       LYS  23 -12.781   9.547   8.003
  192   2HD   LYS  23          HD1       LYS  23 -13.303   9.311   9.673
  193   1HE   LYS  23          HE1       LYS  23 -11.593  11.399   9.949
  194   2HE   LYS  23          HE2       LYS  23 -12.244  11.707   8.339
  195   1HZ   LYS  23          HZ1       LYS  23 -14.501  11.313   9.469
  196   2HZ   LYS  23          HZ2       LYS  23 -13.719  12.790   9.723
  197   3HZ   LYS  23          HZ3       LYS  23 -13.669  11.592  10.916
  198    H    CYS  24           HN       CYS  24  -8.586   9.183   8.311
  199    HA   CYS  24           HA       CYS  24  -6.495   7.736   9.770
  200   1HB   CYS  24          HB2       CYS  24  -6.264   9.455   7.663
  201   2HB   CYS  24          HB1       CYS  24  -6.019  10.551   9.021
  202    HG   CYS  24           HG       CYS  24  -4.161   8.163   8.332
  203    H    VAL  25           HN       VAL  25  -6.317   7.988  11.891
  204    HA   VAL  25           HA       VAL  25  -8.104   9.629  13.354
  205    HB   VAL  25           HB       VAL  25  -5.607   8.530  14.584
  206   1HG1  VAL  25          HG11      VAL  25  -8.307   9.330  15.438
  207   2HG1  VAL  25          HG12      VAL  25  -6.776   9.384  16.312
  208   3HG1  VAL  25          HG13      VAL  25  -7.673   7.869  16.197
  209   1HG2  VAL  25          HG21      VAL  25  -6.830   6.917  12.899
  210   2HG2  VAL  25          HG22      VAL  25  -7.966   6.745  14.238
  211   3HG2  VAL  25          HG23      VAL  25  -6.264   6.337  14.468
  212    H    CYS  26           HN       CYS  26  -5.053  10.203  11.936
  213    HA   CYS  26           HA       CYS  26  -4.136  12.270  13.661
  214   1HB   CYS  26          HB2       CYS  26  -2.847  10.912  11.842
  215   2HB   CYS  26          HB1       CYS  26  -3.452  12.145  10.739
  216    HG   CYS  26           HG       CYS  26  -1.070  12.461  12.453
  217    H    GLY  27           HN       GLY  27  -6.515  12.091  11.188
  218   1HA   GLY  27          HA1       GLY  27  -8.151  13.968  11.311
  219   2HA   GLY  27          HA2       GLY  27  -6.761  15.038  11.213
  220    H    ARG  28           HN       ARG  28  -8.065  12.249   9.404
  221    HA   ARG  28           HA       ARG  28  -8.470  13.710   7.016
  222   1HB   ARG  28          HB2       ARG  28  -5.811  12.595   7.475
  223   2HB   ARG  28          HB1       ARG  28  -6.546  12.001   5.991
  224   1HG   ARG  28          HG1       ARG  28  -6.449  14.019   4.976
  225   2HG   ARG  28          HG2       ARG  28  -6.723  14.902   6.481
  226   1HD   ARG  28          HD2       ARG  28  -4.283  13.786   6.938
  227   2HD   ARG  28          HD1       ARG  28  -4.214  14.085   5.202
  228    HE   ARG  28           HE       ARG  28  -4.973  16.446   5.917
  229   1HH1  ARG  28          HH21      ARG  28  -2.827  14.368   7.711
  230   2HH1  ARG  28          HH22      ARG  28  -1.974  15.678   8.458
  231   1HH2  ARG  28          HH12      ARG  28  -3.856  18.175   6.894
  232   2HH2  ARG  28          HH11      ARG  28  -2.559  17.843   7.993
  233    H    THR  29           HN       THR  29  -8.086  11.711   5.126
  234    HA   THR  29           HA       THR  29  -9.524   9.367   6.123
  235    HB   THR  29           HB       THR  29 -10.436  11.018   3.757
  236    HG1  THR  29           HG1      THR  29 -11.057  11.111   6.373
  237   1HG2  THR  29          HG21      THR  29 -10.879   8.698   3.315
  238   2HG2  THR  29          HG22      THR  29 -12.384   9.526   3.717
  239   3HG2  THR  29          HG23      THR  29 -11.595   8.499   4.915
  240    H    VAL  30           HN       VAL  30  -9.063   7.489   5.045
  241    HA   VAL  30           HA       VAL  30  -6.977   7.690   2.979
  242    HB   VAL  30           HB       VAL  30  -6.007   6.514   4.721
  243   1HG1  VAL  30          HG11      VAL  30  -7.359   4.508   5.732
  244   2HG1  VAL  30          HG12      VAL  30  -8.736   5.458   5.173
  245   3HG1  VAL  30          HG13      VAL  30  -7.589   6.157   6.316
  246   1HG2  VAL  30          HG21      VAL  30  -7.166   4.131   3.361
  247   2HG2  VAL  30          HG22      VAL  30  -5.503   4.447   3.852
  248   3HG2  VAL  30          HG23      VAL  30  -6.174   5.262   2.441
  249    H    ASN  31           HN       ASN  31  -7.402   7.027   1.007
  250    HA   ASN  31           HA       ASN  31  -9.866   5.514   0.501
  251   1HB   ASN  31          HB2       ASN  31  -9.268   7.785  -0.657
  252   2HB   ASN  31          HB1       ASN  31  -8.222   6.787  -1.662
  253   1HD2  ASN  31          HD21      ASN  31 -11.186   8.136  -1.476
  254   2HD2  ASN  31          HD22      ASN  31 -12.063   7.078  -2.522
  255    H    VAL  32           HN       VAL  32  -9.740   3.426  -0.062
  256    HA   VAL  32           HA       VAL  32  -7.242   2.099  -0.241
  257    HB   VAL  32           HB       VAL  32  -8.402   0.090  -0.553
  258   1HG1  VAL  32          HG11      VAL  32 -10.422   1.726   0.953
  259   2HG1  VAL  32          HG12      VAL  32  -8.819   1.379   1.601
  260   3HG1  VAL  32          HG13      VAL  32  -9.927   0.057   1.232
  261   1HG2  VAL  32          HG21      VAL  32 -10.829   0.024  -1.176
  262   2HG2  VAL  32          HG22      VAL  32  -9.740   0.540  -2.465
  263   3HG2  VAL  32          HG23      VAL  32 -10.699   1.734  -1.590
  264    H    LYS  33           HN       LYS  33  -7.395   0.324  -2.315
  265    HA   LYS  33           HA       LYS  33  -6.248   1.733  -4.426
  266   1HB   LYS  33          HB2       LYS  33  -6.702  -0.959  -3.772
  267   2HB   LYS  33          HB1       LYS  33  -7.452  -0.729  -5.346
  268   1HG   LYS  33          HG2       LYS  33  -4.880   0.525  -5.318
  269   2HG   LYS  33          HG1       LYS  33  -4.740  -1.146  -4.770
  270   1HD   LYS  33          HD2       LYS  33  -4.951  -1.876  -6.858
  271   2HD   LYS  33          HD1       LYS  33  -6.508  -1.056  -7.007
  272   1HE   LYS  33          HE1       LYS  33  -5.600   0.363  -8.449
  273   2HE   LYS  33          HE2       LYS  33  -4.514   0.930  -7.180
  274   1HZ   LYS  33          HZ1       LYS  33  -4.007  -0.953  -9.354
  275   2HZ   LYS  33          HZ2       LYS  33  -3.227  -1.246  -7.881
  276   3HZ   LYS  33          HZ3       LYS  33  -2.994   0.225  -8.684
  277    H    ASP  34           HN       ASP  34  -7.168   1.278  -6.797
  278    HA   ASP  34           HA       ASP  34  -9.684   2.734  -6.895
  279   1HB   ASP  34          HB2       ASP  34  -7.364   2.482  -8.593
  280   2HB   ASP  34          HB1       ASP  34  -8.827   2.144  -9.514
  281    H    ARG  35           HN       ARG  35  -8.322  -0.342  -7.982
  282    HA   ARG  35           HA       ARG  35 -10.902  -1.253  -8.950
  283   1HB   ARG  35          HB1       ARG  35  -8.613  -1.818  -9.990
  284   2HB   ARG  35          HB2       ARG  35  -8.431  -2.949  -8.657
  285   1HG   ARG  35          HG1       ARG  35 -10.616  -3.975  -9.381
  286   2HG   ARG  35          HG2       ARG  35 -10.499  -2.981 -10.835
  287   1HD   ARG  35          HD2       ARG  35  -8.080  -4.044 -10.932
  288   2HD   ARG  35          HD1       ARG  35  -8.857  -5.309  -9.980
  289    HE   ARG  35           HE       ARG  35 -10.012  -4.459 -12.545
  290   1HH1  ARG  35          HH11      ARG  35  -8.619  -6.917 -10.502
  291   2HH1  ARG  35          HH12      ARG  35  -9.021  -8.217 -11.574
  292   1HH2  ARG  35          HH21      ARG  35 -10.544  -6.166 -13.961
  293   2HH2  ARG  35          HH22      ARG  35 -10.115  -7.790 -13.538
  294    H    ARG  36           HN       ARG  36  -9.131  -3.744  -7.468
  295    HA   ARG  36           HA       ARG  36 -11.205  -4.169  -5.527
  296   1HB   ARG  36          HB2       ARG  36  -8.598  -5.660  -5.868
  297   2HB   ARG  36          HB1       ARG  36 -10.010  -6.211  -4.977
  298   1HG   ARG  36          HG2       ARG  36 -10.432  -5.539  -7.820
  299   2HG   ARG  36          HG1       ARG  36  -9.462  -6.973  -7.477
  300   1HD   ARG  36          HD2       ARG  36 -11.341  -8.106  -7.145
  301   2HD   ARG  36          HD1       ARG  36 -11.659  -7.090  -5.739
  302    HE   ARG  36           HE       ARG  36 -12.690  -6.610  -8.455
  303   1HH1  ARG  36          HH12      ARG  36 -12.828  -6.127  -5.006
  304   2HH1  ARG  36          HH11      ARG  36 -14.342  -5.287  -5.055
  305   1HH2  ARG  36          HH22      ARG  36 -14.683  -5.503  -8.528
  306   2HH2  ARG  36          HH21      ARG  36 -15.396  -4.932  -7.055
  307    H    ILE  37           HN       ILE  37  -7.883  -4.753  -4.636
  308    HA   ILE  37           HA       ILE  37  -7.735  -2.486  -2.838
  309    HB   ILE  37           HB       ILE  37  -8.638  -5.096  -1.920
  310   1HG1  ILE  37          HG12      ILE  37  -9.570  -2.729  -1.515
  311   2HG1  ILE  37          HG11      ILE  37  -9.561  -3.853  -0.160
  312   1HG2  ILE  37          HG21      ILE  37  -7.264  -5.404  -0.014
  313   2HG2  ILE  37          HG22      ILE  37  -6.390  -3.901  -0.313
  314   3HG2  ILE  37          HG23      ILE  37  -6.187  -5.275  -1.403
  315   1HD1  ILE  37          HD11      ILE  37  -8.859  -1.744   0.651
  316   2HD1  ILE  37          HD12      ILE  37  -7.685  -1.561  -0.655
  317   3HD1  ILE  37          HD13      ILE  37  -7.432  -2.780   0.595
  318    H    PHE  38           HN       PHE  38  -5.649  -2.234  -1.893
  319    HA   PHE  38           HA       PHE  38  -3.545  -3.565  -3.420
  320   1HB   PHE  38          HB1       PHE  38  -3.826  -0.960  -2.837
  321   2HB   PHE  38          HB2       PHE  38  -2.899  -1.455  -1.424
  322    HD1  PHE  38           HD1      PHE  38  -2.732  -0.425  -4.798
  323    HD2  PHE  38           HD2      PHE  38  -0.727  -2.784  -1.878
  324    HE1  PHE  38           HE1      PHE  38  -0.659  -0.284  -6.114
  325    HE2  PHE  38           HE2      PHE  38   1.350  -2.645  -3.188
  326    HZ   PHE  38           HZ       PHE  38   1.387  -1.394  -5.309
  327    H    GLY  39           HN       GLY  39  -1.779  -4.593  -2.416
  328   1HA   GLY  39          HA1       GLY  39  -0.895  -6.118  -0.942
  329   2HA   GLY  39          HA2       GLY  39  -1.212  -4.864   0.246
  330    H    ARG  40           HN       ARG  40  -2.362  -7.836  -1.174
  331    HA   ARG  40           HA       ARG  40  -4.595  -7.977   0.705
  332   1HB   ARG  40          HB1       ARG  40  -4.700  -8.727  -1.763
  333   2HB   ARG  40          HB2       ARG  40  -3.784 -10.127  -1.228
  334   1HG   ARG  40          HG2       ARG  40  -6.061 -10.757  -1.251
  335   2HG   ARG  40          HG1       ARG  40  -5.594 -10.568   0.441
  336   1HD   ARG  40          HD1       ARG  40  -6.716  -8.509   0.628
  337   2HD   ARG  40          HD2       ARG  40  -6.888  -8.351  -1.119
  338    HE   ARG  40           HE       ARG  40  -8.489 -10.037   0.647
  339   1HH1  ARG  40          HH22      ARG  40  -7.760  -8.929  -2.576
  340   2HH1  ARG  40          HH21      ARG  40  -9.253  -9.494  -3.247
  341   1HH2  ARG  40          HH12      ARG  40 -10.458 -10.784  -0.229
  342   2HH2  ARG  40          HH11      ARG  40 -10.786 -10.548  -1.913
  343    H    ALA  41           HN       ALA  41  -3.503  -8.167   2.646
  344    HA   ALA  41           HA       ALA  41  -1.601 -10.352   2.975
  345   1HB   ALA  41          HB1       ALA  41  -2.383  -8.037   4.727
  346   2HB   ALA  41          HB2       ALA  41  -0.845  -8.325   3.912
  347   3HB   ALA  41          HB3       ALA  41  -1.323  -9.341   5.272
  348    H    ASP  42           HN       ASP  42  -2.371 -12.285   3.476
  349    HA   ASP  42           HA       ASP  42  -4.910 -12.590   4.832
  350   1HB   ASP  42          HB1       ASP  42  -4.239 -14.120   2.993
  351   2HB   ASP  42          HB2       ASP  42  -2.908 -14.700   3.989
  352    H    ASP  43           HN       ASP  43  -1.501 -12.821   5.519
  353    HA   ASP  43           HA       ASP  43  -1.934 -13.932   8.171
  354   1HB   ASP  43          HB2       ASP  43   0.075 -14.382   6.541
  355   2HB   ASP  43          HB1       ASP  43   0.709 -12.884   7.218
  356    H    PHE  44           HN       PHE  44  -2.071 -12.777   9.997
  357    HA   PHE  44           HA       PHE  44  -2.465 -10.018  10.003
  358   1HB   PHE  44          HB1       PHE  44  -3.236 -11.569  11.783
  359   2HB   PHE  44          HB2       PHE  44  -1.571 -11.728  12.331
  360    HD1  PHE  44           HD1      PHE  44  -0.594 -10.123  13.743
  361    HD2  PHE  44           HD2      PHE  44  -4.368  -9.349  11.938
  362    HE1  PHE  44           HE1      PHE  44  -0.881  -8.160  15.198
  363    HE2  PHE  44           HE2      PHE  44  -4.664  -7.384  13.388
  364    HZ   PHE  44           HZ       PHE  44  -2.919  -6.787  15.021
  365    H    GLU  45           HN       GLU  45   0.445 -11.912  10.656
  366    HA   GLU  45           HA       GLU  45   2.060  -9.737  11.486
  367   1HB   GLU  45          HB1       GLU  45   2.840 -11.865  12.104
  368   2HB   GLU  45          HB2       GLU  45   2.626 -12.515  10.484
  369   1HG   GLU  45          HG1       GLU  45   4.679 -11.947   9.879
  370   2HG   GLU  45          HG2       GLU  45   4.509 -10.319  10.533
  371    H    GLU  46           HN       GLU  46   1.507 -11.317   8.372
  372    HA   GLU  46           HA       GLU  46   3.391  -9.764   6.919
  373   1HB   GLU  46          HB2       GLU  46   2.373 -12.002   6.241
  374   2HB   GLU  46          HB1       GLU  46   0.941 -11.097   5.772
  375   1HG   GLU  46          HG2       GLU  46   2.471  -9.722   4.292
  376   2HG   GLU  46          HG1       GLU  46   3.698 -10.951   4.599
  377    H    ALA  47           HN       ALA  47   0.242  -9.159   8.101
  378    HA   ALA  47           HA       ALA  47  -0.733  -7.311   6.231
  379   1HB   ALA  47          HB1       ALA  47  -1.557  -6.501   8.820
  380   2HB   ALA  47          HB2       ALA  47  -1.481  -8.264   8.806
  381   3HB   ALA  47          HB3       ALA  47  -2.465  -7.413   7.613
  382    H    SER  48           HN       SER  48   0.770  -6.569   9.387
  383    HA   SER  48           HA       SER  48   1.107  -3.837   8.916
  384   1HB   SER  48          HB2       SER  48   2.913  -5.518  10.662
  385   2HB   SER  48          HB1       SER  48   2.513  -3.810  10.850
  386    HG   SER  48           HG       SER  48   1.360  -5.519  12.176
  387    H    GLU  49           HN       GLU  49   3.100  -6.578   8.045
  388    HA   GLU  49           HA       GLU  49   5.428  -5.093   7.365
  389   1HB   GLU  49          HB2       GLU  49   4.663  -7.818   7.445
  390   2HB   GLU  49          HB1       GLU  49   5.211  -7.495   5.807
  391   1HG   GLU  49          HG1       GLU  49   6.744  -7.089   8.361
  392   2HG   GLU  49          HG2       GLU  49   7.068  -8.262   7.085
  393    H    LEU  50           HN       LEU  50   2.554  -6.089   5.617
  394    HA   LEU  50           HA       LEU  50   3.464  -5.365   3.025
  395   1HB   LEU  50          HB1       LEU  50   1.091  -6.433   4.216
  396   2HB   LEU  50          HB2       LEU  50   0.643  -5.095   3.177
  397    HG   LEU  50           HG       LEU  50   1.848  -6.179   1.303
  398   1HD1  LEU  50          HD21      LEU  50   1.982  -8.816   2.454
  399   2HD1  LEU  50          HD22      LEU  50   3.016  -7.691   3.333
  400   3HD1  LEU  50          HD23      LEU  50   3.220  -7.901   1.594
  401   1HD2  LEU  50          HD11      LEU  50   0.127  -7.634   0.769
  402   2HD2  LEU  50          HD12      LEU  50  -0.620  -6.571   1.963
  403   3HD2  LEU  50          HD13      LEU  50  -0.067  -8.178   2.436
  404    H    VAL  51           HN       VAL  51   1.604  -3.709   5.524
  405    HA   VAL  51           HA       VAL  51   1.050  -1.353   4.101
  406    HB   VAL  51           HB       VAL  51   1.477  -1.573   7.078
  407   1HG1  VAL  51          HG21      VAL  51  -0.608   0.152   6.614
  408   2HG1  VAL  51          HG22      VAL  51   0.504   0.513   5.294
  409   3HG1  VAL  51          HG23      VAL  51   1.058   0.617   6.965
  410   1HG2  VAL  51          HG11      VAL  51  -0.094  -3.300   6.066
  411   2HG2  VAL  51          HG12      VAL  51  -1.149  -1.945   5.666
  412   3HG2  VAL  51          HG13      VAL  51  -0.749  -2.284   7.350
  413    H    ARG  52           HN       ARG  52   3.803  -2.327   6.089
  414    HA   ARG  52           HA       ARG  52   5.102   0.170   6.189
  415   1HB   ARG  52          HB1       ARG  52   5.748  -2.608   6.812
  416   2HB   ARG  52          HB2       ARG  52   7.134  -1.723   6.187
  417   1HG   ARG  52          HG2       ARG  52   6.086   0.039   7.999
  418   2HG   ARG  52          HG1       ARG  52   5.786  -1.523   8.763
  419   1HD   ARG  52          HD2       ARG  52   8.117  -2.107   8.595
  420   2HD   ARG  52          HD1       ARG  52   8.456  -0.639   7.678
  421    HE   ARG  52           HE       ARG  52   8.226  -0.881  10.517
  422   1HH1  ARG  52          HH11      ARG  52   7.799   1.292   7.827
  423   2HH1  ARG  52          HH12      ARG  52   8.015   2.721   8.781
  424   1HH2  ARG  52          HH22      ARG  52   8.511   0.997  11.781
  425   2HH2  ARG  52          HH21      ARG  52   8.419   2.554  11.028
  426    H    LYS  53           HN       LYS  53   5.121  -2.439   3.834
  427    HA   LYS  53           HA       LYS  53   7.199  -1.372   2.201
  428   1HB   LYS  53          HB2       LYS  53   6.086  -3.771   2.263
  429   2HB   LYS  53          HB1       LYS  53   5.011  -3.065   1.064
  430   1HG   LYS  53          HG2       LYS  53   7.012  -2.463  -0.285
  431   2HG   LYS  53          HG1       LYS  53   8.000  -3.349   0.878
  432   1HD   LYS  53          HD1       LYS  53   6.579  -5.363   0.412
  433   2HD   LYS  53          HD2       LYS  53   5.827  -4.448  -0.896
  434   1HE   LYS  53          HE2       LYS  53   7.461  -5.174  -2.218
  435   2HE   LYS  53          HE1       LYS  53   8.557  -4.137  -1.307
  436   1HZ   LYS  53          HZ1       LYS  53   8.136  -6.541   0.105
  437   2HZ   LYS  53          HZ2       LYS  53   9.579  -5.917  -0.518
  438   3HZ   LYS  53          HZ3       LYS  53   8.600  -6.905  -1.480
  439    H    LEU  54           HN       LEU  54   3.706  -1.037   2.349
  440    HA   LEU  54           HA       LEU  54   3.386   0.419  -0.071
  441   1HB   LEU  54          HB1       LEU  54   1.749  -0.312   2.250
  442   2HB   LEU  54          HB2       LEU  54   1.325   1.239   1.554
  443    HG   LEU  54           HG       LEU  54  -0.007  -0.689   0.690
  444   1HD1  LEU  54          HD11      LEU  54   0.567  -0.092  -1.802
  445   2HD1  LEU  54          HD12      LEU  54   1.568   1.144  -1.042
  446   3HD1  LEU  54          HD13      LEU  54  -0.166   1.097  -0.724
  447   1HD2  LEU  54          HD21      LEU  54   2.693  -1.533  -0.306
  448   2HD2  LEU  54          HD22      LEU  54   1.207  -2.038  -1.111
  449   3HD2  LEU  54          HD23      LEU  54   1.491  -2.476   0.573
  450    H    GLN  55           HN       GLN  55   4.618   1.222   3.004
  451    HA   GLN  55           HA       GLN  55   3.968   3.972   3.103
  452   1HB   GLN  55          HB1       GLN  55   5.632   2.107   4.595
  453   2HB   GLN  55          HB2       GLN  55   6.366   3.705   4.470
  454   1HG   GLN  55          HG2       GLN  55   3.622   3.069   5.543
  455   2HG   GLN  55          HG1       GLN  55   5.040   3.518   6.490
  456   1HE2  GLN  55          HE22      GLN  55   6.070   5.581   5.060
  457   2HE2  GLN  55          HE21      GLN  55   4.959   6.904   5.036
  458    H    GLU  56           HN       GLU  56   6.564   5.018   3.661
  459    HA   GLU  56           HA       GLU  56   7.312   5.905   1.063
  460   1HB   GLU  56          HB2       GLU  56   9.182   7.014   2.446
  461   2HB   GLU  56          HB1       GLU  56   7.528   7.530   2.721
  462   1HG   GLU  56          HG1       GLU  56   7.434   6.007   4.671
  463   2HG   GLU  56          HG2       GLU  56   9.138   5.636   4.417
  464    H    GLU  57           HN       GLU  57  10.160   6.053   1.965
  465    HA   GLU  57           HA       GLU  57  11.093   3.784   0.518
  466   1HB   GLU  57          HB2       GLU  57  13.359   4.677   1.082
  467   2HB   GLU  57          HB1       GLU  57  12.298   5.852   0.316
  468   1HG   GLU  57          HG2       GLU  57  12.533   7.245   2.015
  469   2HG   GLU  57          HG1       GLU  57  12.002   6.009   3.154
  470    H    LYS  58           HN       LYS  58  12.021   1.930   1.216
  471    HA   LYS  58           HA       LYS  58  11.570   1.164   3.939
  472   1HB   LYS  58          HB1       LYS  58  11.428  -0.247   1.713
  473   2HB   LYS  58          HB2       LYS  58  13.133  -0.529   2.037
  474   1HG   LYS  58          HG1       LYS  58  12.462  -2.236   3.289
  475   2HG   LYS  58          HG2       LYS  58  11.951  -1.027   4.469
  476   1HD   LYS  58          HD1       LYS  58   9.928  -1.975   4.260
  477   2HD   LYS  58          HD2       LYS  58   9.830  -1.058   2.756
  478   1HE   LYS  58          HE1       LYS  58   9.244  -3.453   2.495
  479   2HE   LYS  58          HE2       LYS  58  10.599  -2.944   1.488
  480   1HZ   LYS  58          HZ1       LYS  58  11.955  -4.367   2.501
  481   2HZ   LYS  58          HZ2       LYS  58  10.576  -5.083   3.168
  482   3HZ   LYS  58          HZ3       LYS  58  11.433  -3.920   4.046
  483    H    TYR  59           HN       TYR  59  13.279   0.054   5.222
  484    HA   TYR  59           HA       TYR  59  15.667   1.714   5.255
  485   1HB   TYR  59          HB2       TYR  59  14.112   0.266   7.214
  486   2HB   TYR  59          HB1       TYR  59  15.815  -0.163   7.339
  487    HD1  TYR  59           HD1      TYR  59  13.531   2.774   7.219
  488    HD2  TYR  59           HD2      TYR  59  17.299   1.240   8.465
  489    HE1  TYR  59           HE1      TYR  59  13.957   4.851   8.464
  490    HE2  TYR  59           HE2      TYR  59  17.737   3.314   9.712
  491    HH   TYR  59           HH       TYR  59  16.734   5.916   9.370
  492    H    GLY  60           HN       GLY  60  17.775   0.596   5.817
  493   1HA   GLY  60          HA2       GLY  60  18.012  -1.930   4.303
  494   2HA   GLY  60          HA1       GLY  60  19.156  -0.613   4.092
  495    H    SER  61           HN       SER  61  17.796  -1.570   7.183
  496    HA   SER  61           HA       SER  61  20.480  -2.050   8.186
  497   1HB   SER  61          HB2       SER  61  18.884  -0.655   9.482
  498   2HB   SER  61          HB1       SER  61  17.840  -2.064   9.671
  499    HG   SER  61           HG       SER  61  19.035  -2.141  11.459
  500    H    CYS  62           HN       CYS  62  17.400  -3.757   8.739
  501    HA   CYS  62           HA       CYS  62  16.901  -5.961   8.982
  502   1HB   CYS  62          HB2       CYS  62  18.268  -5.690   6.565
  503   2HB   CYS  62          HB1       CYS  62  19.035  -7.069   7.348
  504    HG   CYS  62           HG       CYS  62  16.886  -7.692   5.837
  505    H    HIS  63           HN       HIS  63  18.534  -4.923  10.970
  506    HA   HIS  63           HA       HIS  63  20.508  -7.025  11.503
  507   1HB   HIS  63          HB1       HIS  63  20.183  -4.204  12.350
  508   2HB   HIS  63          HB2       HIS  63  20.831  -5.304  13.562
  509    HD2  HIS  63           HD2      HIS  63  23.342  -4.124  13.396
  510    HE1  HIS  63           HE1      HIS  63  24.078  -5.429   9.437
  511    HE2  HIS  63           HE2      HIS  63  25.103  -4.385  11.509
  512    H    PHE  64           HN       PHE  64  18.127  -8.116  11.693
  513    HA   PHE  64           HA       PHE  64  16.739  -7.821  14.124
  514   1HB   PHE  64          HB1       PHE  64  16.806  -9.798  11.920
  515   2HB   PHE  64          HB2       PHE  64  16.218 -10.399  13.467
  516    HD1  PHE  64           HD1      PHE  64  15.742  -7.536  11.128
  517    HD2  PHE  64           HD2      PHE  64  13.991 -10.164  13.981
  518    HE1  PHE  64           HE1      PHE  64  13.532  -6.557  10.667
  519    HE2  PHE  64           HE2      PHE  64  11.778  -9.190  13.526
  520    HZ   PHE  64           HZ       PHE  64  11.546  -7.384  11.868
  521    H    THR  65           HN       THR  65  17.499  -8.174  16.092
  522    HA   THR  65           HA       THR  65  19.670 -10.093  16.483
  523    HB   THR  65           HB       THR  65  18.893  -8.761  18.903
  524    HG1  THR  65           HG1      THR  65  19.585  -6.616  17.904
  525   1HG2  THR  65          HG21      THR  65  21.090  -9.090  19.026
  526   2HG2  THR  65          HG22      THR  65  21.208  -7.564  18.150
  527   3HG2  THR  65          HG23      THR  65  21.290  -9.091  17.273
  528    H    ASN  66           HN       ASN  66  18.607 -12.060  16.406
  529    HA   ASN  66           HA       ASN  66  16.240 -12.616  17.883
  530   1HB   ASN  66          HB2       ASN  66  18.131 -14.122  16.197
  531   2HB   ASN  66          HB1       ASN  66  17.354 -15.074  17.458
  532   1HD2  ASN  66          HD21      ASN  66  16.901 -15.654  14.849
  533   2HD2  ASN  66          HD22      ASN  66  15.278 -15.240  14.423
  534    HA   PRO  67           HA       PRO  67  17.716 -13.310  21.976
  535   1HB   PRO  67          HB2       PRO  67  16.035 -15.758  22.005
  536   2HB   PRO  67          HB1       PRO  67  16.018 -14.367  23.094
  537   1HG   PRO  67          HG2       PRO  67  14.091 -14.702  21.283
  538   2HG   PRO  67          HG1       PRO  67  14.728 -13.088  21.649
  539   1HD   PRO  67          HD1       PRO  67  15.288 -14.863  19.305
  540   2HD   PRO  67          HD2       PRO  67  15.067 -13.101  19.360
  541    H    SER  68           HN       SER  68  17.396 -16.301  20.059
  542    HA   SER  68           HA       SER  68  19.542 -17.573  21.513
  543   1HB   SER  68          HB2       SER  68  19.139 -19.468  19.958
  544   2HB   SER  68          HB1       SER  68  17.663 -18.932  20.761
  545    HG   SER  68           HG       SER  68  17.598 -19.303  18.390
  546    H    LYS  69           HN       LYS  69  19.560 -15.247  19.247
  547    HA   LYS  69           HA       LYS  69  21.706 -16.305  17.599
  548   1HB   LYS  69          HB2       LYS  69  19.743 -14.717  16.882
  549   2HB   LYS  69          HB1       LYS  69  20.798 -13.454  17.503
  550   1HG   LYS  69          HG2       LYS  69  22.586 -14.514  15.975
  551   2HG   LYS  69          HG1       LYS  69  21.212 -15.280  15.174
  552   1HD   LYS  69          HD2       LYS  69  21.153 -12.341  15.688
  553   2HD   LYS  69          HD1       LYS  69  22.113 -12.964  14.344
  554   1HE   LYS  69          HE1       LYS  69  19.375 -14.028  14.564
  555   2HE   LYS  69          HE2       LYS  69  19.499 -12.316  14.162
  556   1HZ   LYS  69          HZ1       LYS  69  19.698 -14.385  12.409
  557   2HZ   LYS  69          HZ2       LYS  69  21.311 -13.938  12.650
  558   3HZ   LYS  69          HZ3       LYS  69  20.187 -12.792  12.116
  559    H    ARG  70           HN       ARG  70  21.664 -12.976  18.688
  560    HA   ARG  70           HA       ARG  70  24.427 -13.194  19.497
  561   1HB   ARG  70          HB1       ARG  70  22.715 -11.122  18.565
  562   2HB   ARG  70          HB2       ARG  70  23.326 -10.637  20.141
  563   1HG   ARG  70          HG2       ARG  70  25.109  -9.892  19.038
  564   2HG   ARG  70          HG1       ARG  70  25.575 -11.587  18.891
  565   1HD   ARG  70          HD2       ARG  70  24.378 -11.714  16.750
  566   2HD   ARG  70          HD1       ARG  70  23.959 -10.008  16.894
  567    HE   ARG  70           HE       ARG  70  26.547  -9.770  16.986
  568   1HH1  ARG  70          HH11      ARG  70  24.712 -11.992  15.027
  569   2HH1  ARG  70          HH12      ARG  70  25.891 -12.053  13.760
  570   1HH2  ARG  70          HH21      ARG  70  28.107  -9.844  15.321
  571   2HH2  ARG  70          HH22      ARG  70  27.822 -10.832  13.928
  572    H    GLU  71           HN       GLU  71  22.062 -11.220  21.208
  573    HA   GLU  71           HA       GLU  71  23.057 -12.282  23.732
  574   1HB   GLU  71          HB1       GLU  71  21.470  -9.865  22.937
  575   2HB   GLU  71          HB2       GLU  71  21.452 -10.409  24.609
  576   1HG   GLU  71          HG1       GLU  71  24.075 -10.052  23.256
  577   2HG   GLU  71          HG2       GLU  71  23.178  -8.622  23.763
  Start of MODEL   16
    1   1H    MET   1          HT1       MET   1 -10.182 -12.531   6.169
    2   2H    MET   1          HT2       MET   1  -9.823 -13.376   4.719
    3   3H    MET   1          HT3       MET   1 -10.325 -11.736   4.656
    4    HA   MET   1           HA       MET   1  -7.933 -12.517   6.138
    5   1HB   MET   1          HB2       MET   1  -6.670 -12.013   4.029
    6   2HB   MET   1          HB1       MET   1  -7.605 -13.501   3.975
    7   1HG   MET   1          HG2       MET   1  -8.883 -11.023   2.966
    8   2HG   MET   1          HG1       MET   1  -7.612 -11.760   1.991
    9   1HE   MET   1          HE1       MET   1  -8.042 -12.920   0.275
   10   2HE   MET   1          HE2       MET   1  -9.689 -12.477  -0.175
   11   3HE   MET   1          HE3       MET   1  -9.246 -14.177  -0.015
   12    H    TYR   2           HN       TYR   2  -6.301 -10.579   5.306
   13    HA   TYR   2           HA       TYR   2  -7.753  -8.131   6.040
   14   1HB   TYR   2          HB2       TYR   2  -4.949  -9.078   6.511
   15   2HB   TYR   2          HB1       TYR   2  -5.280  -7.350   6.478
   16    HD1  TYR   2           HD1      TYR   2  -4.361  -9.330   8.781
   17    HD2  TYR   2           HD2      TYR   2  -8.034  -7.438   7.762
   18    HE1  TYR   2           HE1      TYR   2  -5.055  -9.421  11.136
   19    HE2  TYR   2           HE2      TYR   2  -8.738  -7.524  10.117
   20    HH   TYR   2           HH       TYR   2  -6.660  -8.111  12.636
   21    H    ILE   3           HN       ILE   3  -7.101  -6.126   5.074
   22    HA   ILE   3           HA       ILE   3  -5.956  -6.395   2.373
   23    HB   ILE   3           HB       ILE   3  -7.541  -4.559   1.688
   24   1HG1  ILE   3          HG11      ILE   3  -9.338  -5.331   3.932
   25   2HG1  ILE   3          HG12      ILE   3  -8.032  -4.206   4.295
   26   1HG2  ILE   3          HG21      ILE   3  -9.217  -6.866   2.519
   27   2HG2  ILE   3          HG22      ILE   3  -7.835  -7.170   1.463
   28   3HG2  ILE   3          HG23      ILE   3  -9.102  -6.050   0.958
   29   1HD1  ILE   3          HD11      ILE   3 -10.208  -3.146   3.715
   30   2HD1  ILE   3          HD12      ILE   3 -10.023  -3.790   2.084
   31   3HD1  ILE   3          HD13      ILE   3  -8.849  -2.633   2.713
   32    H    ILE   4           HN       ILE   4  -4.973  -4.437   1.535
   33    HA   ILE   4           HA       ILE   4  -4.198  -2.535   3.651
   34    HB   ILE   4           HB       ILE   4  -2.527  -3.922   1.600
   35   1HG1  ILE   4          HG12      ILE   4  -0.952  -3.490   3.748
   36   2HG1  ILE   4          HG11      ILE   4  -2.530  -3.425   4.524
   37   1HG2  ILE   4          HG21      ILE   4  -1.736  -1.930   0.893
   38   2HG2  ILE   4          HG22      ILE   4  -0.792  -2.029   2.381
   39   3HG2  ILE   4          HG23      ILE   4  -2.275  -1.078   2.340
   40   1HD1  ILE   4          HD11      ILE   4  -3.015  -5.645   3.433
   41   2HD1  ILE   4          HD12      ILE   4  -1.796  -5.645   4.707
   42   3HD1  ILE   4          HD13      ILE   4  -1.303  -5.704   3.015
   43    H    PHE   5           HN       PHE   5  -3.895  -0.352   3.007
   44    HA   PHE   5           HA       PHE   5  -4.765   0.382   0.315
   45   1HB   PHE   5          HB1       PHE   5  -6.150   2.228   1.766
   46   2HB   PHE   5          HB2       PHE   5  -6.849   0.767   1.084
   47    HD1  PHE   5           HD1      PHE   5  -7.301  -1.180   2.497
   48    HD2  PHE   5           HD2      PHE   5  -5.873   2.487   4.113
   49    HE1  PHE   5           HE1      PHE   5  -7.992  -1.904   4.746
   50    HE2  PHE   5           HE2      PHE   5  -6.561   1.771   6.359
   51    HZ   PHE   5           HZ       PHE   5  -7.618  -0.423   6.679
   52    H    ARG   6           HN       ARG   6  -5.038   3.149   0.781
   53    HA   ARG   6           HA       ARG   6  -2.517   3.976   2.008
   54   1HB   ARG   6          HB2       ARG   6  -3.237   4.343  -0.894
   55   2HB   ARG   6          HB1       ARG   6  -2.073   5.385  -0.088
   56   1HG   ARG   6          HG2       ARG   6  -1.191   2.866   0.563
   57   2HG   ARG   6          HG1       ARG   6  -1.772   2.675  -1.093
   58   1HD   ARG   6          HD2       ARG   6   0.072   4.898  -0.252
   59   2HD   ARG   6          HD1       ARG   6   0.655   3.337  -0.831
   60    HE   ARG   6           HE       ARG   6  -0.243   3.831  -2.968
   61   1HH1  ARG   6          HH11      ARG   6  -0.520   6.460  -0.698
   62   2HH1  ARG   6          HH12      ARG   6  -0.777   7.659  -1.921
   63   1HH2  ARG   6          HH21      ARG   6  -0.580   5.402  -4.585
   64   2HH2  ARG   6          HH22      ARG   6  -0.810   7.058  -4.130
   65    H    CYS   7           HN       CYS   7  -2.810   5.740   3.200
   66    HA   CYS   7           HA       CYS   7  -5.245   7.257   2.994
   67   1HB   CYS   7          HB2       CYS   7  -4.078   6.685   5.175
   68   2HB   CYS   7          HB1       CYS   7  -2.875   7.895   4.743
   69    HG   CYS   7           HG       CYS   7  -4.406   9.360   6.004
   70    H    ASP   8           HN       ASP   8  -5.241   9.621   2.815
   71    HA   ASP   8           HA       ASP   8  -4.024  10.482   0.485
   72   1HB   ASP   8          HB1       ASP   8  -5.680  11.672   2.579
   73   2HB   ASP   8          HB2       ASP   8  -4.589  12.834   1.831
   74    H    CYS   9           HN       CYS   9  -2.735  10.389   3.659
   75    HA   CYS   9           HA       CYS   9  -0.742  12.420   3.308
   76   1HB   CYS   9          HB2       CYS   9  -0.729  10.079   5.224
   77   2HB   CYS   9          HB1       CYS   9   0.234  11.547   5.352
   78    HG   CYS   9           HG       CYS   9  -2.801  11.366   5.949
   79    H    GLY  10           HN       GLY  10  -1.226   9.720   1.652
   80   1HA   GLY  10          HA2       GLY  10   0.136   8.628   0.132
   81   2HA   GLY  10          HA1       GLY  10   1.511   9.513   0.777
   82    H    ARG  11           HN       ARG  11  -0.278   8.106   3.233
   83    HA   ARG  11           HA       ARG  11   1.831   6.144   3.681
   84   1HB   ARG  11          HB2       ARG  11   1.012   5.932   5.900
   85   2HB   ARG  11          HB1       ARG  11   1.004   7.646   5.514
   86   1HG   ARG  11          HG2       ARG  11  -1.264   7.789   5.549
   87   2HG   ARG  11          HG1       ARG  11  -1.489   6.111   5.050
   88   1HD   ARG  11          HD2       ARG  11  -1.705   5.455   7.160
   89   2HD   ARG  11          HD1       ARG  11  -0.169   6.205   7.593
   90    HE   ARG  11           HE       ARG  11  -2.759   7.615   7.607
   91   1HH1  ARG  11          HH11      ARG  11   0.450   7.083   8.862
   92   2HH1  ARG  11          HH12      ARG  11   0.293   8.265  10.117
   93   1HH2  ARG  11          HH21      ARG  11  -2.972   9.172   9.257
   94   2HH2  ARG  11          HH22      ARG  11  -1.651   9.453  10.343
   95    H    ALA  12           HN       ALA  12   0.328   4.285   5.188
   96    HA   ALA  12           HA       ALA  12  -1.705   3.165   3.459
   97   1HB   ALA  12          HB1       ALA  12  -0.378   0.953   3.379
   98   2HB   ALA  12          HB2       ALA  12   1.032   1.969   3.684
   99   3HB   ALA  12          HB3       ALA  12   0.046   2.236   2.246
  100    H    LEU  13           HN       LEU  13  -2.850   1.393   4.442
  101    HA   LEU  13           HA       LEU  13  -2.116   0.734   7.192
  102   1HB   LEU  13          HB1       LEU  13  -4.591   2.194   6.374
  103   2HB   LEU  13          HB2       LEU  13  -4.654   1.091   7.733
  104    HG   LEU  13           HG       LEU  13  -2.437   3.022   7.834
  105   1HD1  LEU  13          HD21      LEU  13  -5.295   3.951   8.053
  106   2HD1  LEU  13          HD22      LEU  13  -4.118   4.458   6.842
  107   3HD1  LEU  13          HD23      LEU  13  -3.877   4.881   8.537
  108   1HD2  LEU  13          HD11      LEU  13  -4.560   2.506   9.886
  109   2HD2  LEU  13          HD12      LEU  13  -2.886   3.010  10.122
  110   3HD2  LEU  13          HD13      LEU  13  -3.249   1.361   9.610
  111    H    TYR  14           HN       TYR  14  -4.151  -0.739   8.045
  112    HA   TYR  14           HA       TYR  14  -4.835  -2.650   5.924
  113   1HB   TYR  14          HB2       TYR  14  -4.082  -4.537   7.224
  114   2HB   TYR  14          HB1       TYR  14  -2.744  -3.408   7.046
  115    HD1  TYR  14           HD1      TYR  14  -2.185  -1.884   8.993
  116    HD2  TYR  14           HD2      TYR  14  -4.823  -5.203   9.355
  117    HE1  TYR  14           HE1      TYR  14  -1.879  -1.854  11.433
  118    HE2  TYR  14           HE2      TYR  14  -4.523  -5.183  11.795
  119    HH   TYR  14           HH       TYR  14  -3.834  -3.758  13.555
  120    H    SER  15           HN       SER  15  -6.736  -3.773   6.231
  121    HA   SER  15           HA       SER  15  -8.159  -3.665   8.741
  122   1HB   SER  15          HB1       SER  15  -8.702  -1.478   7.588
  123   2HB   SER  15          HB2       SER  15  -9.473  -2.423   6.316
  124    HG   SER  15           HG       SER  15 -10.202  -2.878   8.982
  125    H    ARG  16           HN       ARG  16 -10.640  -4.459   7.997
  126    HA   ARG  16           HA       ARG  16 -10.166  -7.145   7.104
  127   1HB   ARG  16          HB2       ARG  16 -12.311  -5.681   8.401
  128   2HB   ARG  16          HB1       ARG  16 -12.926  -6.737   7.136
  129   1HG   ARG  16          HG2       ARG  16 -11.384  -8.512   8.274
  130   2HG   ARG  16          HG1       ARG  16 -11.507  -7.430   9.663
  131   1HD   ARG  16          HD2       ARG  16 -13.919  -7.592   9.624
  132   2HD   ARG  16          HD1       ARG  16 -13.857  -8.574   8.161
  133    HE   ARG  16           HE       ARG  16 -12.360  -9.770  10.257
  134   1HH1  ARG  16          HH12      ARG  16 -15.619  -9.240   9.137
  135   2HH1  ARG  16          HH11      ARG  16 -16.251 -10.655   9.913
  136   1HH2  ARG  16          HH21      ARG  16 -13.185 -11.633  11.279
  137   2HH2  ARG  16          HH22      ARG  16 -14.868 -12.014  11.130
  138    H    GLU  17           HN       GLU  17 -10.897  -8.138   5.237
  139    HA   GLU  17           HA       GLU  17 -10.754  -6.713   2.857
  140   1HB   GLU  17          HB1       GLU  17 -10.540  -9.242   3.265
  141   2HB   GLU  17          HB2       GLU  17 -12.292  -9.287   3.127
  142   1HG   GLU  17          HG2       GLU  17 -11.743  -7.950   0.891
  143   2HG   GLU  17          HG1       GLU  17 -10.232  -8.846   1.055
  144    H    GLY  18           HN       GLY  18 -12.083  -5.110   2.279
  145   1HA   GLY  18          HA2       GLY  18 -14.447  -5.138   1.193
  146   2HA   GLY  18          HA1       GLY  18 -14.951  -5.365   2.859
  147    H    ALA  19           HN       ALA  19 -12.310  -3.512   3.152
  148    HA   ALA  19           HA       ALA  19 -13.839  -1.144   3.660
  149   1HB   ALA  19          HB1       ALA  19 -10.839  -1.320   3.626
  150   2HB   ALA  19          HB2       ALA  19 -11.813  -1.928   4.965
  151   3HB   ALA  19          HB3       ALA  19 -11.864  -0.216   4.544
  152    H    LYS  20           HN       LYS  20 -14.496   0.179   2.112
  153    HA   LYS  20           HA       LYS  20 -13.010   0.371  -0.384
  154   1HB   LYS  20          HB1       LYS  20 -14.969   0.835  -1.368
  155   2HB   LYS  20          HB2       LYS  20 -15.682   0.291   0.142
  156   1HG   LYS  20          HG1       LYS  20 -14.908   3.136  -0.071
  157   2HG   LYS  20          HG2       LYS  20 -16.338   2.586  -0.948
  158   1HD   LYS  20          HD1       LYS  20 -15.933   1.918   1.946
  159   2HD   LYS  20          HD2       LYS  20 -16.642   3.460   1.458
  160   1HE   LYS  20          HE1       LYS  20 -17.724   0.899   0.360
  161   2HE   LYS  20          HE2       LYS  20 -18.182   1.425   1.980
  162   1HZ   LYS  20          HZ1       LYS  20 -18.450   3.626   0.313
  163   2HZ   LYS  20          HZ2       LYS  20 -19.686   2.731   1.045
  164   3HZ   LYS  20          HZ3       LYS  20 -19.155   2.326  -0.509
  165    H    THR  21           HN       THR  21 -14.167   2.464   2.220
  166    HA   THR  21           HA       THR  21 -11.919   4.249   1.712
  167    HB   THR  21           HB       THR  21 -13.605   6.207   2.102
  168    HG1  THR  21           HG1      THR  21 -15.465   5.051   2.416
  169   1HG2  THR  21          HG21      THR  21 -12.337   5.405  -0.083
  170   2HG2  THR  21          HG22      THR  21 -13.512   6.721  -0.087
  171   3HG2  THR  21          HG23      THR  21 -13.996   5.104  -0.604
  172    H    ARG  22           HN       ARG  22 -10.893   4.247   3.571
  173    HA   ARG  22           HA       ARG  22 -12.334   3.956   6.076
  174   1HB   ARG  22          HB1       ARG  22  -9.863   3.089   5.186
  175   2HB   ARG  22          HB2       ARG  22  -9.453   4.426   6.253
  176   1HG   ARG  22          HG2       ARG  22  -9.422   2.551   7.631
  177   2HG   ARG  22          HG1       ARG  22 -10.984   3.302   7.959
  178   1HD   ARG  22          HD1       ARG  22 -11.089   1.393   5.767
  179   2HD   ARG  22          HD2       ARG  22 -10.554   0.663   7.280
  180    HE   ARG  22           HE       ARG  22 -13.171   1.779   6.705
  181   1HH1  ARG  22          HH11      ARG  22 -10.949   0.578   9.105
  182   2HH1  ARG  22          HH12      ARG  22 -12.185   0.255  10.274
  183   1HH2  ARG  22          HH22      ARG  22 -14.805   1.357   8.238
  184   2HH2  ARG  22          HH21      ARG  22 -14.376   0.698   9.781
  185    H    LYS  23           HN       LYS  23 -10.616   5.368   7.776
  186    HA   LYS  23           HA       LYS  23 -10.628   8.140   6.905
  187   1HB   LYS  23          HB1       LYS  23 -12.924   7.605   7.846
  188   2HB   LYS  23          HB2       LYS  23 -12.141   7.353   9.398
  189   1HG   LYS  23          HG1       LYS  23 -11.607   9.594   9.640
  190   2HG   LYS  23          HG2       LYS  23 -11.762   9.918   7.912
  191   1HD   LYS  23          HD2       LYS  23 -14.273   9.021   8.624
  192   2HD   LYS  23          HD1       LYS  23 -13.776   9.993  10.011
  193   1HE   LYS  23          HE1       LYS  23 -14.601  11.688   8.775
  194   2HE   LYS  23          HE2       LYS  23 -13.015  11.617   8.005
  195   1HZ   LYS  23          HZ1       LYS  23 -14.925   9.801   6.859
  196   2HZ   LYS  23          HZ2       LYS  23 -13.901  10.913   6.101
  197   3HZ   LYS  23          HZ3       LYS  23 -15.389  11.421   6.724
  198    H    CYS  24           HN       CYS  24  -9.238   9.435   8.036
  199    HA   CYS  24           HA       CYS  24  -7.402   8.032   9.825
  200   1HB   CYS  24          HB1       CYS  24  -5.969   9.019   8.388
  201   2HB   CYS  24          HB2       CYS  24  -7.160  10.183   7.842
  202    HG   CYS  24           HG       CYS  24  -6.153  10.984  10.546
  203    H    VAL  25           HN       VAL  25  -7.499   8.352  11.930
  204    HA   VAL  25           HA       VAL  25  -9.304  10.199  13.105
  205    HB   VAL  25           HB       VAL  25  -7.091   8.954  14.684
  206   1HG1  VAL  25          HG11      VAL  25 -10.001   9.011  15.369
  207   2HG1  VAL  25          HG12      VAL  25  -9.012  10.459  15.560
  208   3HG1  VAL  25          HG13      VAL  25  -8.601   8.987  16.440
  209   1HG2  VAL  25          HG21      VAL  25  -8.876   6.977  14.783
  210   2HG2  VAL  25          HG22      VAL  25  -7.558   7.008  13.611
  211   3HG2  VAL  25          HG23      VAL  25  -9.173   7.530  13.134
  212    H    CYS  26           HN       CYS  26  -5.993  10.378  12.170
  213    HA   CYS  26           HA       CYS  26  -5.201  12.488  13.916
  214   1HB   CYS  26          HB2       CYS  26  -3.701  10.883  12.565
  215   2HB   CYS  26          HB1       CYS  26  -3.990  11.966  11.208
  216    HG   CYS  26           HG       CYS  26  -2.135  12.505  13.556
  217    H    GLY  27           HN       GLY  27  -7.180  12.343  11.153
  218   1HA   GLY  27          HA1       GLY  27  -8.523  14.406  10.839
  219   2HA   GLY  27          HA2       GLY  27  -6.998  15.275  10.849
  220    H    ARG  28           HN       ARG  28  -8.308  12.422   9.124
  221    HA   ARG  28           HA       ARG  28  -8.257  13.737   6.596
  222   1HB   ARG  28          HB2       ARG  28  -5.863  12.346   7.505
  223   2HB   ARG  28          HB1       ARG  28  -6.479  11.696   5.990
  224   1HG   ARG  28          HG2       ARG  28  -6.023  14.628   6.434
  225   2HG   ARG  28          HG1       ARG  28  -4.771  13.548   5.813
  226   1HD   ARG  28          HD2       ARG  28  -6.580  12.868   4.081
  227   2HD   ARG  28          HD1       ARG  28  -7.355  14.381   4.550
  228    HE   ARG  28           HE       ARG  28  -4.610  14.244   3.478
  229   1HH1  ARG  28          HH11      ARG  28  -7.760  15.722   3.670
  230   2HH1  ARG  28          HH12      ARG  28  -7.366  17.006   2.577
  231   1HH2  ARG  28          HH21      ARG  28  -4.082  15.930   2.038
  232   2HH2  ARG  28          HH22      ARG  28  -5.274  17.125   1.648
  233    H    THR  29           HN       THR  29  -7.922  11.561   4.927
  234    HA   THR  29           HA       THR  29  -9.823   9.536   5.852
  235    HB   THR  29           HB       THR  29 -10.103  11.098   3.274
  236    HG1  THR  29           HG1      THR  29 -12.052  10.907   5.284
  237   1HG2  THR  29          HG21      THR  29 -11.353   9.485   2.449
  238   2HG2  THR  29          HG22      THR  29 -12.398   9.549   3.869
  239   3HG2  THR  29          HG23      THR  29 -10.992   8.484   3.855
  240    H    VAL  30           HN       VAL  30  -9.320   7.522   5.179
  241    HA   VAL  30           HA       VAL  30  -6.948   7.261   3.493
  242    HB   VAL  30           HB       VAL  30  -8.242   5.005   4.992
  243   1HG1  VAL  30          HG21      VAL  30  -5.834   5.411   3.436
  244   2HG1  VAL  30          HG22      VAL  30  -6.569   3.912   4.002
  245   3HG1  VAL  30          HG23      VAL  30  -5.475   4.809   5.053
  246   1HG2  VAL  30          HG11      VAL  30  -7.873   6.148   6.880
  247   2HG2  VAL  30          HG12      VAL  30  -6.891   7.360   6.054
  248   3HG2  VAL  30          HG13      VAL  30  -6.164   5.839   6.572
  249    H    ASN  31           HN       ASN  31  -7.288   7.005   1.424
  250    HA   ASN  31           HA       ASN  31  -9.699   5.665   0.465
  251   1HB   ASN  31          HB2       ASN  31  -8.247   6.491  -1.750
  252   2HB   ASN  31          HB1       ASN  31  -9.583   7.359  -1.002
  253   1HD2  ASN  31          HD22      ASN  31  -6.088   6.897  -0.679
  254   2HD2  ASN  31          HD21      ASN  31  -5.738   8.536  -0.257
  255    H    VAL  32           HN       VAL  32  -9.612   3.540   0.053
  256    HA   VAL  32           HA       VAL  32  -7.168   2.108  -0.067
  257    HB   VAL  32           HB       VAL  32  -8.398   0.150  -0.360
  258   1HG1  VAL  32          HG11      VAL  32  -9.470   2.183   1.404
  259   2HG1  VAL  32          HG12      VAL  32  -9.140   0.478   1.711
  260   3HG1  VAL  32          HG13      VAL  32 -10.672   0.962   0.985
  261   1HG2  VAL  32          HG21      VAL  32  -9.854   1.531  -2.248
  262   2HG2  VAL  32          HG22      VAL  32 -11.036   1.188  -0.985
  263   3HG2  VAL  32          HG23      VAL  32 -10.131  -0.132  -1.726
  264    H    LYS  33           HN       LYS  33  -7.391   0.322  -2.143
  265    HA   LYS  33           HA       LYS  33  -6.108   1.646  -4.232
  266   1HB   LYS  33          HB2       LYS  33  -6.634  -0.988  -3.564
  267   2HB   LYS  33          HB1       LYS  33  -7.502  -0.776  -5.079
  268   1HG   LYS  33          HG1       LYS  33  -5.203   0.328  -5.804
  269   2HG   LYS  33          HG2       LYS  33  -4.591  -0.733  -4.532
  270   1HD   LYS  33          HD2       LYS  33  -6.281  -2.393  -5.894
  271   2HD   LYS  33          HD1       LYS  33  -5.631  -1.386  -7.190
  272   1HE   LYS  33          HE1       LYS  33  -3.400  -1.989  -6.661
  273   2HE   LYS  33          HE2       LYS  33  -3.891  -2.735  -5.140
  274   1HZ   LYS  33          HZ1       LYS  33  -3.775  -3.873  -7.741
  275   2HZ   LYS  33          HZ2       LYS  33  -5.327  -4.036  -7.088
  276   3HZ   LYS  33          HZ3       LYS  33  -3.989  -4.637  -6.247
  277    H    ASP  34           HN       ASP  34  -7.026   1.167  -6.622
  278    HA   ASP  34           HA       ASP  34  -9.400   2.835  -6.803
  279   1HB   ASP  34          HB2       ASP  34  -7.649   1.728  -9.013
  280   2HB   ASP  34          HB1       ASP  34  -8.882   2.974  -9.186
  281    H    ARG  35           HN       ARG  35  -8.299  -0.348  -7.915
  282    HA   ARG  35           HA       ARG  35 -10.991  -1.051  -8.757
  283   1HB   ARG  35          HB2       ARG  35  -8.866  -1.728 -10.004
  284   2HB   ARG  35          HB1       ARG  35  -8.594  -2.880  -8.704
  285   1HG   ARG  35          HG2       ARG  35 -10.336  -4.219  -9.335
  286   2HG   ARG  35          HG1       ARG  35 -11.229  -2.892 -10.082
  287   1HD   ARG  35          HD1       ARG  35  -8.709  -3.317 -11.416
  288   2HD   ARG  35          HD2       ARG  35  -9.651  -4.806 -11.365
  289    HE   ARG  35           HE       ARG  35 -10.220  -2.455 -12.900
  290   1HH1  ARG  35          HH22      ARG  35 -11.622  -5.241 -11.345
  291   2HH1  ARG  35          HH21      ARG  35 -13.017  -5.271 -12.372
  292   1HH2  ARG  35          HH12      ARG  35 -12.053  -2.488 -14.256
  293   2HH2  ARG  35          HH11      ARG  35 -13.262  -3.708 -14.025
  294    H    ARG  36           HN       ARG  36  -9.151  -3.610  -7.397
  295    HA   ARG  36           HA       ARG  36 -11.181  -4.108  -5.427
  296   1HB   ARG  36          HB2       ARG  36  -8.587  -5.599  -5.492
  297   2HB   ARG  36          HB1       ARG  36 -10.203  -6.191  -5.133
  298   1HG   ARG  36          HG2       ARG  36 -10.528  -5.464  -7.705
  299   2HG   ARG  36          HG1       ARG  36  -8.819  -5.906  -7.712
  300   1HD   ARG  36          HD1       ARG  36 -10.953  -7.679  -6.555
  301   2HD   ARG  36          HD2       ARG  36 -10.469  -7.755  -8.248
  302    HE   ARG  36           HE       ARG  36  -8.248  -7.959  -6.459
  303   1HH1  ARG  36          HH12      ARG  36 -10.836  -9.744  -7.963
  304   2HH1  ARG  36          HH11      ARG  36 -10.019 -11.267  -7.858
  305   1HH2  ARG  36          HH22      ARG  36  -7.165  -9.961  -6.317
  306   2HH2  ARG  36          HH21      ARG  36  -7.932 -11.391  -6.924
  307    H    ILE  37           HN       ILE  37  -7.865  -4.684  -4.557
  308    HA   ILE  37           HA       ILE  37  -7.695  -2.426  -2.748
  309    HB   ILE  37           HB       ILE  37  -8.623  -5.029  -1.845
  310   1HG1  ILE  37          HG12      ILE  37  -9.536  -2.680  -1.394
  311   2HG1  ILE  37          HG11      ILE  37  -9.474  -3.791  -0.031
  312   1HG2  ILE  37          HG21      ILE  37  -6.316  -3.890  -0.278
  313   2HG2  ILE  37          HG22      ILE  37  -6.187  -5.285  -1.352
  314   3HG2  ILE  37          HG23      ILE  37  -7.235  -5.356   0.063
  315   1HD1  ILE  37          HD11      ILE  37  -7.621  -1.503  -0.614
  316   2HD1  ILE  37          HD12      ILE  37  -7.322  -2.711   0.637
  317   3HD1  ILE  37          HD13      ILE  37  -8.747  -1.674   0.734
  318    H    PHE  38           HN       PHE  38  -5.603  -2.184  -1.825
  319    HA   PHE  38           HA       PHE  38  -3.518  -3.525  -3.367
  320   1HB   PHE  38          HB1       PHE  38  -3.814  -0.910  -2.661
  321   2HB   PHE  38          HB2       PHE  38  -2.751  -1.479  -1.378
  322    HD1  PHE  38           HD1      PHE  38  -2.752   0.074  -4.426
  323    HD2  PHE  38           HD2      PHE  38  -0.810  -3.116  -2.386
  324    HE1  PHE  38           HE1      PHE  38  -0.818   0.292  -5.932
  325    HE2  PHE  38           HE2      PHE  38   1.126  -2.905  -3.887
  326    HZ   PHE  38           HZ       PHE  38   1.125  -1.199  -5.662
  327    H    GLY  39           HN       GLY  39  -1.760  -4.586  -2.374
  328   1HA   GLY  39          HA1       GLY  39  -0.888  -6.124  -0.908
  329   2HA   GLY  39          HA2       GLY  39  -1.194  -4.877   0.289
  330    H    ARG  40           HN       ARG  40  -2.328  -7.850  -1.117
  331    HA   ARG  40           HA       ARG  40  -4.595  -7.970   0.724
  332   1HB   ARG  40          HB1       ARG  40  -4.408  -8.815  -1.829
  333   2HB   ARG  40          HB2       ARG  40  -3.925 -10.287  -1.001
  334   1HG   ARG  40          HG1       ARG  40  -6.388  -8.882  -0.102
  335   2HG   ARG  40          HG2       ARG  40  -6.433  -9.832  -1.589
  336   1HD   ARG  40          HD1       ARG  40  -5.936 -10.732   1.220
  337   2HD   ARG  40          HD2       ARG  40  -7.070 -11.368   0.030
  338    HE   ARG  40           HE       ARG  40  -4.376 -12.186   0.421
  339   1HH1  ARG  40          HH12      ARG  40  -6.807 -11.725  -2.035
  340   2HH1  ARG  40          HH11      ARG  40  -6.133 -12.910  -3.104
  341   1HH2  ARG  40          HH21      ARG  40  -3.484 -13.746  -0.980
  342   2HH2  ARG  40          HH22      ARG  40  -4.245 -14.059  -2.505
  343    H    ALA  41           HN       ALA  41  -3.537  -8.174   2.696
  344    HA   ALA  41           HA       ALA  41  -1.645 -10.362   3.037
  345   1HB   ALA  41          HB1       ALA  41  -0.925  -8.339   4.012
  346   2HB   ALA  41          HB2       ALA  41  -1.410  -9.385   5.347
  347   3HB   ALA  41          HB3       ALA  41  -2.476  -8.082   4.811
  348    H    ASP  42           HN       ASP  42  -2.366 -12.301   3.548
  349    HA   ASP  42           HA       ASP  42  -4.940 -12.656   4.838
  350   1HB   ASP  42          HB2       ASP  42  -3.173 -14.266   3.213
  351   2HB   ASP  42          HB1       ASP  42  -3.623 -15.138   4.675
  352    H    ASP  43           HN       ASP  43  -1.533 -12.879   5.587
  353    HA   ASP  43           HA       ASP  43  -2.035 -14.021   8.217
  354   1HB   ASP  43          HB1       ASP  43   0.424 -13.386   6.622
  355   2HB   ASP  43          HB2       ASP  43   0.549 -13.618   8.365
  356    H    PHE  44           HN       PHE  44  -1.853 -12.953  10.135
  357    HA   PHE  44           HA       PHE  44  -2.385 -10.208  10.242
  358   1HB   PHE  44          HB2       PHE  44  -1.441 -12.196  12.293
  359   2HB   PHE  44          HB1       PHE  44  -1.627 -10.492  12.700
  360    HD1  PHE  44           HD1      PHE  44  -3.634  -9.785  13.551
  361    HD2  PHE  44           HD2      PHE  44  -3.544 -13.280  11.122
  362    HE1  PHE  44           HE1      PHE  44  -6.028 -10.147  13.988
  363    HE2  PHE  44           HE2      PHE  44  -5.937 -13.645  11.554
  364    HZ   PHE  44           HZ       PHE  44  -7.182 -12.079  12.989
  365    H    GLU  45           HN       GLU  45   0.645 -11.971  10.843
  366    HA   GLU  45           HA       GLU  45   2.200  -9.693  11.405
  367   1HB   GLU  45          HB2       GLU  45   4.105 -11.320  10.747
  368   2HB   GLU  45          HB1       GLU  45   3.135 -11.681  12.163
  369   1HG   GLU  45          HG1       GLU  45   1.889 -12.867   9.911
  370   2HG   GLU  45          HG2       GLU  45   3.603 -13.275   9.871
  371    H    GLU  46           HN       GLU  46   1.438 -11.394   8.423
  372    HA   GLU  46           HA       GLU  46   3.335 -10.051   6.793
  373   1HB   GLU  46          HB2       GLU  46   2.111 -12.220   6.266
  374   2HB   GLU  46          HB1       GLU  46   0.719 -11.227   5.857
  375   1HG   GLU  46          HG2       GLU  46   1.816 -11.719   3.831
  376   2HG   GLU  46          HG1       GLU  46   2.183 -10.035   4.203
  377    H    ALA  47           HN       ALA  47   0.248  -9.198   8.055
  378    HA   ALA  47           HA       ALA  47  -0.617  -7.309   6.181
  379   1HB   ALA  47          HB1       ALA  47  -1.239  -7.995   8.953
  380   2HB   ALA  47          HB2       ALA  47  -2.310  -7.550   7.624
  381   3HB   ALA  47          HB3       ALA  47  -1.501  -6.295   8.563
  382    H    SER  48           HN       SER  48   1.147  -6.733   9.230
  383    HA   SER  48           HA       SER  48   1.587  -4.003   8.838
  384   1HB   SER  48          HB2       SER  48   3.253  -6.002  10.389
  385   2HB   SER  48          HB1       SER  48   3.384  -4.249  10.533
  386    HG   SER  48           HG       SER  48   1.820  -5.760  11.913
  387    H    GLU  49           HN       GLU  49   3.428  -6.803   7.768
  388    HA   GLU  49           HA       GLU  49   5.715  -5.366   6.898
  389   1HB   GLU  49          HB2       GLU  49   4.723  -8.112   6.769
  390   2HB   GLU  49          HB1       GLU  49   5.630  -7.645   5.337
  391   1HG   GLU  49          HG2       GLU  49   7.320  -6.737   7.161
  392   2HG   GLU  49          HG1       GLU  49   6.536  -7.978   8.138
  393    H    LEU  50           HN       LEU  50   2.695  -6.288   5.364
  394    HA   LEU  50           HA       LEU  50   3.441  -5.608   2.711
  395   1HB   LEU  50          HB1       LEU  50   1.087  -6.527   4.104
  396   2HB   LEU  50          HB2       LEU  50   0.666  -5.258   2.971
  397    HG   LEU  50           HG       LEU  50   1.773  -6.552   1.163
  398   1HD1  LEU  50          HD21      LEU  50   3.372  -7.811   2.442
  399   2HD1  LEU  50          HD22      LEU  50   2.294  -8.932   1.610
  400   3HD1  LEU  50          HD23      LEU  50   2.082  -8.619   3.333
  401   1HD2  LEU  50          HD11      LEU  50  -0.038  -8.601   2.052
  402   2HD2  LEU  50          HD12      LEU  50  -0.220  -7.433   0.743
  403   3HD2  LEU  50          HD13      LEU  50  -0.696  -6.999   2.385
  404    H    VAL  51           HN       VAL  51   1.836  -3.861   5.317
  405    HA   VAL  51           HA       VAL  51   1.198  -1.529   3.891
  406    HB   VAL  51           HB       VAL  51   1.838  -1.774   6.830
  407   1HG1  VAL  51          HG21      VAL  51   0.178   0.171   6.924
  408   2HG1  VAL  51          HG22      VAL  51   0.485   0.345   5.196
  409   3HG1  VAL  51          HG23      VAL  51   1.809   0.511   6.349
  410   1HG2  VAL  51          HG11      VAL  51  -0.137  -3.106   5.478
  411   2HG2  VAL  51          HG12      VAL  51  -0.968  -1.654   6.037
  412   3HG2  VAL  51          HG13      VAL  51  -0.161  -2.710   7.196
  413    H    ARG  52           HN       ARG  52   4.093  -2.447   5.715
  414    HA   ARG  52           HA       ARG  52   5.387   0.049   5.614
  415   1HB   ARG  52          HB1       ARG  52   6.430  -2.769   5.877
  416   2HB   ARG  52          HB2       ARG  52   7.495  -1.370   5.904
  417   1HG   ARG  52          HG1       ARG  52   5.694  -0.619   7.754
  418   2HG   ARG  52          HG2       ARG  52   5.627  -2.372   7.946
  419   1HD   ARG  52          HD2       ARG  52   7.283  -1.337   9.437
  420   2HD   ARG  52          HD1       ARG  52   8.022  -2.459   8.295
  421    HE   ARG  52           HE       ARG  52   9.053  -0.671   7.226
  422   1HH1  ARG  52          HH22      ARG  52   6.928   0.441   9.754
  423   2HH1  ARG  52          HH21      ARG  52   7.571   2.050   9.762
  424   1HH2  ARG  52          HH12      ARG  52   9.905   1.442   7.230
  425   2HH2  ARG  52          HH11      ARG  52   9.261   2.619   8.328
  426    H    LYS  53           HN       LYS  53   5.327  -2.673   3.375
  427    HA   LYS  53           HA       LYS  53   7.280  -1.618   1.584
  428   1HB   LYS  53          HB1       LYS  53   5.337  -3.850   1.582
  429   2HB   LYS  53          HB2       LYS  53   5.758  -3.213  -0.001
  430   1HG   LYS  53          HG1       LYS  53   8.045  -3.704   1.767
  431   2HG   LYS  53          HG2       LYS  53   7.134  -5.144   1.305
  432   1HD   LYS  53          HD1       LYS  53   7.300  -3.976  -1.088
  433   2HD   LYS  53          HD2       LYS  53   8.759  -3.306  -0.357
  434   1HE   LYS  53          HE1       LYS  53   9.817  -5.305  -0.309
  435   2HE   LYS  53          HE2       LYS  53   8.333  -6.201   0.017
  436   1HZ   LYS  53          HZ1       LYS  53   8.358  -6.801  -2.102
  437   2HZ   LYS  53          HZ2       LYS  53   9.649  -5.766  -2.456
  438   3HZ   LYS  53          HZ3       LYS  53   8.059  -5.193  -2.534
  439    H    LEU  54           HN       LEU  54   3.818  -1.320   1.982
  440    HA   LEU  54           HA       LEU  54   3.283  -0.005  -0.482
  441   1HB   LEU  54          HB1       LEU  54   1.832  -0.753   1.914
  442   2HB   LEU  54          HB2       LEU  54   1.371   0.847   1.368
  443    HG   LEU  54           HG       LEU  54  -0.089  -0.938   0.480
  444   1HD1  LEU  54          HD11      LEU  54   1.550   0.677  -1.448
  445   2HD1  LEU  54          HD12      LEU  54  -0.049   1.036  -0.795
  446   3HD1  LEU  54          HD13      LEU  54   0.155  -0.278  -1.954
  447   1HD2  LEU  54          HD21      LEU  54   1.267  -2.099  -1.572
  448   2HD2  LEU  54          HD22      LEU  54   0.947  -2.860  -0.013
  449   3HD2  LEU  54          HD23      LEU  54   2.495  -2.067  -0.306
  450    H    GLN  55           HN       GLN  55   4.747   0.987   2.434
  451    HA   GLN  55           HA       GLN  55   4.034   3.723   2.453
  452   1HB   GLN  55          HB1       GLN  55   5.920   1.993   3.853
  453   2HB   GLN  55          HB2       GLN  55   6.576   3.603   3.560
  454   1HG   GLN  55          HG2       GLN  55   3.824   3.393   4.661
  455   2HG   GLN  55          HG1       GLN  55   5.176   3.012   5.727
  456   1HE2  GLN  55          HE22      GLN  55   3.517   5.111   6.277
  457   2HE2  GLN  55          HE21      GLN  55   4.366   6.601   6.060
  458    H    GLU  56           HN       GLU  56   6.537   4.970   2.649
  459    HA   GLU  56           HA       GLU  56   7.076   5.543  -0.109
  460   1HB   GLU  56          HB2       GLU  56   7.471   6.815   2.408
  461   2HB   GLU  56          HB1       GLU  56   9.035   6.688   1.616
  462   1HG   GLU  56          HG2       GLU  56   7.654   7.599  -0.447
  463   2HG   GLU  56          HG1       GLU  56   6.632   8.238   0.840
  464    H    GLU  57           HN       GLU  57   9.914   6.079   0.523
  465    HA   GLU  57           HA       GLU  57  10.975   3.598  -0.450
  466   1HB   GLU  57          HB2       GLU  57  13.102   4.765  -0.569
  467   2HB   GLU  57          HB1       GLU  57  11.828   5.780  -1.230
  468   1HG   GLU  57          HG1       GLU  57  11.839   6.593   1.351
  469   2HG   GLU  57          HG2       GLU  57  13.537   6.177   1.120
  470    H    LYS  58           HN       LYS  58  12.979   2.654   0.550
  471    HA   LYS  58           HA       LYS  58  12.427   2.008   3.287
  472   1HB   LYS  58          HB1       LYS  58  13.442   0.558   1.288
  473   2HB   LYS  58          HB2       LYS  58  14.952   1.127   1.984
  474   1HG   LYS  58          HG2       LYS  58  14.204   0.230   4.181
  475   2HG   LYS  58          HG1       LYS  58  12.806  -0.469   3.361
  476   1HD   LYS  58          HD2       LYS  58  14.140  -2.270   3.144
  477   2HD   LYS  58          HD1       LYS  58  14.816  -1.366   1.786
  478   1HE   LYS  58          HE1       LYS  58  16.429  -0.357   3.489
  479   2HE   LYS  58          HE2       LYS  58  15.896  -1.641   4.575
  480   1HZ   LYS  58          HZ1       LYS  58  17.562  -1.797   2.197
  481   2HZ   LYS  58          HZ2       LYS  58  16.465  -3.064   2.419
  482   3HZ   LYS  58          HZ3       LYS  58  17.609  -2.717   3.615
  483    H    TYR  59           HN       TYR  59  14.434   1.840   4.795
  484    HA   TYR  59           HA       TYR  59  15.528   4.532   4.986
  485   1HB   TYR  59          HB1       TYR  59  14.622   2.671   6.865
  486   2HB   TYR  59          HB2       TYR  59  16.368   2.717   7.087
  487    HD1  TYR  59           HD1      TYR  59  13.331   4.845   6.984
  488    HD2  TYR  59           HD2      TYR  59  17.394   4.518   8.203
  489    HE1  TYR  59           HE1      TYR  59  13.105   6.924   8.277
  490    HE2  TYR  59           HE2      TYR  59  17.179   6.596   9.499
  491    HH   TYR  59           HH       TYR  59  14.869   8.787   9.092
  492    H    GLY  60           HN       GLY  60  17.696   5.033   4.987
  493   1HA   GLY  60          HA1       GLY  60  20.019   4.444   5.047
  494   2HA   GLY  60          HA2       GLY  60  19.589   2.844   4.460
  495    H    SER  61           HN       SER  61  18.374   5.861   3.131
  496    HA   SER  61           HA       SER  61  19.439   5.117   0.532
  497   1HB   SER  61          HB1       SER  61  18.056   7.650   0.541
  498   2HB   SER  61          HB2       SER  61  17.607   6.142  -0.256
  499    HG   SER  61           HG       SER  61  16.159   5.862   1.226
  500    H    CYS  62           HN       CYS  62  21.131   6.161   2.791
  501    HA   CYS  62           HA       CYS  62  22.102   8.678   1.665
  502   1HB   CYS  62          HB2       CYS  62  22.873   7.206   4.195
  503   2HB   CYS  62          HB1       CYS  62  23.539   8.755   3.691
  504    HG   CYS  62           HG       CYS  62  20.729   8.309   4.862
  505    H    HIS  63           HN       HIS  63  24.555   8.918   1.645
  506    HA   HIS  63           HA       HIS  63  26.527   8.393   0.646
  507   1HB   HIS  63          HB1       HIS  63  25.891   6.207   2.423
  508   2HB   HIS  63          HB2       HIS  63  26.801   5.623   1.034
  509    HD2  HIS  63           HD2      HIS  63  27.241   8.296   3.890
  510    HE1  HIS  63           HE1      HIS  63  31.025   7.091   2.428
  511    HE2  HIS  63           HE2      HIS  63  29.814   8.490   4.162
  512    H    PHE  64           HN       PHE  64  27.498   6.242  -0.716
  513    HA   PHE  64           HA       PHE  64  25.952   6.367  -3.147
  514   1HB   PHE  64          HB2       PHE  64  28.559   4.975  -2.494
  515   2HB   PHE  64          HB1       PHE  64  27.841   5.043  -4.101
  516    HD1  PHE  64           HD1      PHE  64  30.099   6.571  -1.892
  517    HD2  PHE  64           HD2      PHE  64  27.311   7.450  -4.985
  518    HE1  PHE  64           HE1      PHE  64  31.239   8.712  -2.304
  519    HE2  PHE  64           HE2      PHE  64  28.446   9.592  -5.404
  520    HZ   PHE  64           HZ       PHE  64  30.412  10.226  -4.062
  521    H    THR  65           HN       THR  65  26.486   3.891  -4.295
  522    HA   THR  65           HA       THR  65  24.556   2.231  -2.856
  523    HB   THR  65           HB       THR  65  24.120   2.763  -5.232
  524    HG1  THR  65           HG1      THR  65  23.559   0.673  -4.188
  525   1HG2  THR  65          HG21      THR  65  26.692   2.541  -5.775
  526   2HG2  THR  65          HG22      THR  65  25.448   2.226  -6.983
  527   3HG2  THR  65          HG23      THR  65  26.216   0.882  -6.136
  528    H    ASN  66           HN       ASN  66  24.901  -0.153  -2.915
  529    HA   ASN  66           HA       ASN  66  27.326  -0.825  -1.662
  530   1HB   ASN  66          HB1       ASN  66  25.480  -2.818  -2.970
  531   2HB   ASN  66          HB2       ASN  66  26.491  -3.042  -1.545
  532   1HD2  ASN  66          HD21      ASN  66  23.421  -2.713  -2.498
  533   2HD2  ASN  66          HD22      ASN  66  22.727  -2.004  -1.084
  534    HA   PRO  67           HA       PRO  67  30.073  -1.523  -5.058
  535   1HB   PRO  67          HB2       PRO  67  31.667  -3.458  -3.951
  536   2HB   PRO  67          HB1       PRO  67  31.810  -1.735  -3.588
  537   1HG   PRO  67          HG2       PRO  67  30.437  -3.891  -2.033
  538   2HG   PRO  67          HG1       PRO  67  31.452  -2.560  -1.446
  539   1HD   PRO  67          HD1       PRO  67  28.767  -2.472  -1.298
  540   2HD   PRO  67          HD2       PRO  67  29.736  -1.016  -1.607
  541    H    SER  68           HN       SER  68  28.533  -4.263  -3.465
  542    HA   SER  68           HA       SER  68  28.991  -6.037  -5.701
  543   1HB   SER  68          HB2       SER  68  27.552  -7.612  -4.376
  544   2HB   SER  68          HB1       SER  68  28.965  -7.027  -3.500
  545    HG   SER  68           HG       SER  68  27.650  -5.604  -2.380
  546    H    LYS  69           HN       LYS  69  26.845  -3.575  -5.024
  547    HA   LYS  69           HA       LYS  69  24.571  -4.737  -6.410
  548   1HB   LYS  69          HB1       LYS  69  24.943  -2.644  -4.525
  549   2HB   LYS  69          HB2       LYS  69  24.279  -1.921  -5.983
  550   1HG   LYS  69          HG2       LYS  69  22.605  -3.942  -5.833
  551   2HG   LYS  69          HG1       LYS  69  23.071  -3.906  -4.131
  552   1HD   LYS  69          HD1       LYS  69  21.473  -2.355  -3.908
  553   2HD   LYS  69          HD2       LYS  69  22.622  -1.258  -4.676
  554   1HE   LYS  69          HE2       LYS  69  20.626  -1.006  -5.890
  555   2HE   LYS  69          HE1       LYS  69  21.651  -2.035  -6.892
  556   1HZ   LYS  69          HZ1       LYS  69  19.964  -3.484  -5.057
  557   2HZ   LYS  69          HZ2       LYS  69  20.243  -3.742  -6.706
  558   3HZ   LYS  69          HZ3       LYS  69  19.107  -2.591  -6.210
  559    H    ARG  70           HN       ARG  70  23.511  -3.303  -8.122
  560    HA   ARG  70           HA       ARG  70  25.462  -2.860 -10.204
  561   1HB   ARG  70          HB1       ARG  70  22.743  -3.595 -10.105
  562   2HB   ARG  70          HB2       ARG  70  22.797  -2.045 -10.934
  563   1HG   ARG  70          HG2       ARG  70  23.272  -3.183 -12.778
  564   2HG   ARG  70          HG1       ARG  70  24.867  -3.477 -12.078
  565   1HD   ARG  70          HD2       ARG  70  23.077  -5.343 -10.930
  566   2HD   ARG  70          HD1       ARG  70  22.799  -5.347 -12.671
  567    HE   ARG  70           HE       ARG  70  25.165  -6.245 -11.281
  568   1HH1  ARG  70          HH11      ARG  70  23.796  -5.222 -14.317
  569   2HH1  ARG  70          HH12      ARG  70  25.006  -6.008 -15.276
  570   1HH2  ARG  70          HH21      ARG  70  26.764  -7.283 -12.535
  571   2HH2  ARG  70          HH22      ARG  70  26.692  -7.178 -14.263
  572    H    GLU  71           HN       GLU  71  24.725  -0.858 -11.713
  573    HA   GLU  71           HA       GLU  71  25.242   1.479 -10.057
  574   1HB   GLU  71          HB2       GLU  71  25.136   1.258 -13.072
  575   2HB   GLU  71          HB1       GLU  71  25.751   2.620 -12.145
  576   1HG   GLU  71          HG1       GLU  71  26.987  -0.017 -11.636
  577   2HG   GLU  71          HG2       GLU  71  27.325   0.749 -13.188
  Start of MODEL   17
    1   1H    MET   1          HT1       MET   1 -10.443 -12.532   5.081
    2   2H    MET   1          HT2       MET   1  -9.859 -12.239   6.667
    3   3H    MET   1          HT3       MET   1  -9.568 -13.751   5.911
    4    HA   MET   1           HA       MET   1  -7.591 -12.708   5.677
    5   1HB   MET   1          HB1       MET   1  -8.996 -11.761   3.189
    6   2HB   MET   1          HB2       MET   1  -7.374 -12.418   3.345
    7   1HG   MET   1          HG1       MET   1  -8.093 -14.474   2.967
    8   2HG   MET   1          HG2       MET   1  -9.321 -14.337   4.224
    9   1HE   MET   1          HE1       MET   1  -9.648 -14.304  -0.190
   10   2HE   MET   1          HE2       MET   1  -9.811 -15.775   0.768
   11   3HE   MET   1          HE3       MET   1  -8.359 -14.784   0.912
   12    H    TYR   2           HN       TYR   2  -6.309 -10.795   5.175
   13    HA   TYR   2           HA       TYR   2  -7.702  -8.342   5.992
   14   1HB   TYR   2          HB2       TYR   2  -5.059  -9.481   6.605
   15   2HB   TYR   2          HB1       TYR   2  -5.041  -7.759   6.242
   16    HD1  TYR   2           HD1      TYR   2  -7.491  -9.909   8.077
   17    HD2  TYR   2           HD2      TYR   2  -4.843  -6.581   8.219
   18    HE1  TYR   2           HE1      TYR   2  -8.235  -9.422  10.368
   19    HE2  TYR   2           HE2      TYR   2  -5.581  -6.086  10.511
   20    HH   TYR   2           HH       TYR   2  -8.146  -6.890  11.833
   21    H    ILE   3           HN       ILE   3  -7.018  -6.329   5.051
   22    HA   ILE   3           HA       ILE   3  -5.940  -6.577   2.320
   23    HB   ILE   3           HB       ILE   3  -7.503  -4.761   1.647
   24   1HG1  ILE   3          HG12      ILE   3  -9.087  -5.350   4.132
   25   2HG1  ILE   3          HG11      ILE   3  -7.845  -4.101   4.142
   26   1HG2  ILE   3          HG21      ILE   3  -7.943  -7.356   1.566
   27   2HG2  ILE   3          HG22      ILE   3  -9.179  -6.196   1.073
   28   3HG2  ILE   3          HG23      ILE   3  -9.248  -6.934   2.675
   29   1HD1  ILE   3          HD11      ILE   3 -10.198  -3.332   3.711
   30   2HD1  ILE   3          HD12      ILE   3 -10.085  -4.142   2.148
   31   3HD1  ILE   3          HD13      ILE   3  -8.988  -2.817   2.537
   32    H    ILE   4           HN       ILE   4  -5.130  -4.468   1.464
   33    HA   ILE   4           HA       ILE   4  -4.272  -2.636   3.596
   34    HB   ILE   4           HB       ILE   4  -2.557  -4.009   1.564
   35   1HG1  ILE   4          HG11      ILE   4  -1.075  -3.542   3.819
   36   2HG1  ILE   4          HG12      ILE   4  -2.699  -3.665   4.485
   37   1HG2  ILE   4          HG21      ILE   4  -1.887  -1.906   0.934
   38   2HG2  ILE   4          HG22      ILE   4  -0.799  -2.207   2.290
   39   3HG2  ILE   4          HG23      ILE   4  -2.231  -1.200   2.515
   40   1HD1  ILE   4          HD11      ILE   4  -1.220  -5.775   4.289
   41   2HD1  ILE   4          HD12      ILE   4  -1.711  -5.745   2.596
   42   3HD1  ILE   4          HD13      ILE   4  -2.929  -5.864   3.866
   43    H    PHE   5           HN       PHE   5  -3.932  -0.466   2.932
   44    HA   PHE   5           HA       PHE   5  -4.800   0.248   0.234
   45   1HB   PHE   5          HB1       PHE   5  -6.129   2.127   1.724
   46   2HB   PHE   5          HB2       PHE   5  -6.866   0.700   1.008
   47    HD1  PHE   5           HD1      PHE   5  -5.749   2.274   4.088
   48    HD2  PHE   5           HD2      PHE   5  -7.443  -1.228   2.368
   49    HE1  PHE   5           HE1      PHE   5  -6.437   1.517   6.319
   50    HE2  PHE   5           HE2      PHE   5  -8.134  -1.992   4.601
   51    HZ   PHE   5           HZ       PHE   5  -7.627  -0.614   6.577
   52    H    ARG   6           HN       ARG   6  -5.038   3.024   0.713
   53    HA   ARG   6           HA       ARG   6  -2.403   3.755   1.788
   54   1HB   ARG   6          HB2       ARG   6  -3.371   4.035  -0.982
   55   2HB   ARG   6          HB1       ARG   6  -2.622   5.477  -0.308
   56   1HG   ARG   6          HG1       ARG   6  -0.561   4.484  -0.111
   57   2HG   ARG   6          HG2       ARG   6  -1.235   2.854  -0.039
   58   1HD   ARG   6          HD1       ARG   6  -0.391   2.833  -2.161
   59   2HD   ARG   6          HD2       ARG   6  -2.013   3.439  -2.488
   60    HE   ARG   6           HE       ARG   6  -1.125   5.522  -2.972
   61   1HH1  ARG   6          HH21      ARG   6   1.348   3.382  -1.769
   62   2HH1  ARG   6          HH22      ARG   6   2.655   4.412  -2.249
   63   1HH2  ARG   6          HH11      ARG   6   0.588   6.885  -3.608
   64   2HH2  ARG   6          HH12      ARG   6   2.223   6.404  -3.293
   65    H    CYS   7           HN       CYS   7  -2.602   5.284   3.260
   66    HA   CYS   7           HA       CYS   7  -5.038   6.760   3.546
   67   1HB   CYS   7          HB1       CYS   7  -2.899   7.729   5.220
   68   2HB   CYS   7          HB2       CYS   7  -4.390   6.910   5.675
   69    HG   CYS   7           HG       CYS   7  -2.459   4.848   4.772
   70    H    ASP   8           HN       ASP   8  -5.287   9.011   3.406
   71    HA   ASP   8           HA       ASP   8  -4.122  10.209   1.207
   72   1HB   ASP   8          HB1       ASP   8  -6.093  10.899   3.152
   73   2HB   ASP   8          HB2       ASP   8  -5.025  12.284   2.935
   74    H    CYS   9           HN       CYS   9  -2.896   9.995   4.390
   75    HA   CYS   9           HA       CYS   9  -1.176  12.285   4.289
   76   1HB   CYS   9          HB1       CYS   9  -1.904  11.136   6.401
   77   2HB   CYS   9          HB2       CYS   9  -0.870   9.782   5.956
   78    HG   CYS   9           HG       CYS   9   1.167  11.103   6.561
   79    H    GLY  10           HN       GLY  10  -1.288   9.754   2.343
   80   1HA   GLY  10          HA2       GLY  10   0.255   9.090   0.726
   81   2HA   GLY  10          HA1       GLY  10   1.520   9.914   1.629
   82    H    ARG  11           HN       ARG  11  -0.185   8.189   3.810
   83    HA   ARG  11           HA       ARG  11   1.891   6.163   3.987
   84   1HB   ARG  11          HB1       ARG  11  -0.414   6.237   5.876
   85   2HB   ARG  11          HB2       ARG  11   1.279   5.882   6.188
   86   1HG   ARG  11          HG2       ARG  11   1.497   8.459   5.500
   87   2HG   ARG  11          HG1       ARG  11  -0.142   8.465   6.155
   88   1HD   ARG  11          HD1       ARG  11   0.571   8.189   8.261
   89   2HD   ARG  11          HD2       ARG  11   1.777   6.990   7.792
   90    HE   ARG  11           HE       ARG  11   3.156   8.959   7.075
   91   1HH1  ARG  11          HH21      ARG  11   0.714   9.252   9.543
   92   2HH1  ARG  11          HH22      ARG  11   1.481  10.596  10.322
   93   1HH2  ARG  11          HH12      ARG  11   4.172  10.726   8.094
   94   2HH2  ARG  11          HH11      ARG  11   3.447  11.433   9.499
   95    H    ALA  12           HN       ALA  12   0.368   4.183   5.296
   96    HA   ALA  12           HA       ALA  12  -1.712   3.274   3.511
   97   1HB   ALA  12          HB1       ALA  12   1.009   2.036   3.528
   98   2HB   ALA  12          HB2       ALA  12  -0.042   2.409   2.162
   99   3HB   ALA  12          HB3       ALA  12  -0.417   1.046   3.217
  100    H    LEU  13           HN       LEU  13  -2.975   1.600   4.433
  101    HA   LEU  13           HA       LEU  13  -2.132   0.676   7.096
  102   1HB   LEU  13          HB1       LEU  13  -4.679   2.104   6.403
  103   2HB   LEU  13          HB2       LEU  13  -4.596   1.023   7.779
  104    HG   LEU  13           HG       LEU  13  -2.806   3.427   7.409
  105   1HD1  LEU  13          HD21      LEU  13  -4.846   3.443   9.519
  106   2HD1  LEU  13          HD22      LEU  13  -5.468   3.565   7.874
  107   3HD1  LEU  13          HD23      LEU  13  -4.292   4.740   8.461
  108   1HD2  LEU  13          HD11      LEU  13  -1.620   2.468   9.025
  109   2HD2  LEU  13          HD12      LEU  13  -2.826   1.202   9.253
  110   3HD2  LEU  13          HD13      LEU  13  -2.996   2.744  10.092
  111    H    TYR  14           HN       TYR  14  -3.925  -0.934   7.948
  112    HA   TYR  14           HA       TYR  14  -4.771  -2.708   5.754
  113   1HB   TYR  14          HB2       TYR  14  -3.998  -4.653   7.102
  114   2HB   TYR  14          HB1       TYR  14  -2.684  -3.618   6.552
  115    HD1  TYR  14           HD1      TYR  14  -4.486  -4.902   9.439
  116    HD2  TYR  14           HD2      TYR  14  -1.483  -2.179   8.148
  117    HE1  TYR  14           HE1      TYR  14  -3.680  -4.704  11.753
  118    HE2  TYR  14           HE2      TYR  14  -0.669  -1.972  10.459
  119    HH   TYR  14           HH       TYR  14  -1.665  -2.286  12.797
  120    H    SER  15           HN       SER  15  -6.653  -3.856   6.116
  121    HA   SER  15           HA       SER  15  -7.898  -3.896   8.726
  122   1HB   SER  15          HB1       SER  15  -8.508  -1.655   7.652
  123   2HB   SER  15          HB2       SER  15  -9.438  -2.589   6.481
  124    HG   SER  15           HG       SER  15 -10.908  -2.961   7.949
  125    H    ARG  16           HN       ARG  16 -10.432  -4.638   8.093
  126    HA   ARG  16           HA       ARG  16 -10.027  -7.288   7.071
  127   1HB   ARG  16          HB1       ARG  16 -12.283  -7.718   7.692
  128   2HB   ARG  16          HB2       ARG  16 -11.590  -6.707   8.953
  129   1HG   ARG  16          HG1       ARG  16 -13.154  -5.168   8.660
  130   2HG   ARG  16          HG2       ARG  16 -12.811  -5.076   6.930
  131   1HD   ARG  16          HD2       ARG  16 -15.060  -5.722   7.061
  132   2HD   ARG  16          HD1       ARG  16 -14.179  -7.210   6.709
  133    HE   ARG  16           HE       ARG  16 -14.523  -7.901   8.957
  134   1HH1  ARG  16          HH21      ARG  16 -16.179  -4.954   8.110
  135   2HH1  ARG  16          HH22      ARG  16 -17.294  -5.048   9.432
  136   1HH2  ARG  16          HH12      ARG  16 -15.987  -8.033  10.701
  137   2HH2  ARG  16          HH11      ARG  16 -17.184  -6.799  10.905
  138    H    GLU  17           HN       GLU  17 -10.980  -8.225   5.246
  139    HA   GLU  17           HA       GLU  17 -10.922  -6.742   2.894
  140   1HB   GLU  17          HB1       GLU  17 -10.658  -9.146   2.870
  141   2HB   GLU  17          HB2       GLU  17 -12.286  -9.372   3.491
  142   1HG   GLU  17          HG2       GLU  17 -13.081  -9.440   1.433
  143   2HG   GLU  17          HG1       GLU  17 -12.451  -7.825   1.117
  144    H    GLY  18           HN       GLY  18 -12.216  -5.082   2.419
  145   1HA   GLY  18          HA2       GLY  18 -14.671  -5.010   1.525
  146   2HA   GLY  18          HA1       GLY  18 -15.031  -5.188   3.235
  147    H    ALA  19           HN       ALA  19 -12.293  -3.477   3.294
  148    HA   ALA  19           HA       ALA  19 -13.654  -1.024   3.866
  149   1HB   ALA  19          HB1       ALA  19 -10.680  -1.429   3.635
  150   2HB   ALA  19          HB2       ALA  19 -11.616  -1.832   5.075
  151   3HB   ALA  19          HB3       ALA  19 -11.533  -0.161   4.515
  152    H    LYS  20           HN       LYS  20 -14.398   0.242   2.309
  153    HA   LYS  20           HA       LYS  20 -13.068   0.351  -0.272
  154   1HB   LYS  20          HB1       LYS  20 -15.044   1.026  -1.154
  155   2HB   LYS  20          HB2       LYS  20 -15.654   0.261   0.305
  156   1HG   LYS  20          HG1       LYS  20 -14.971   3.094   0.547
  157   2HG   LYS  20          HG2       LYS  20 -16.357   2.706  -0.474
  158   1HD   LYS  20          HD2       LYS  20 -17.615   2.030   1.274
  159   2HD   LYS  20          HD1       LYS  20 -16.245   1.269   2.085
  160   1HE   LYS  20          HE2       LYS  20 -16.841   3.032   3.499
  161   2HE   LYS  20          HE1       LYS  20 -15.460   3.649   2.593
  162   1HZ   LYS  20          HZ1       LYS  20 -16.934   5.380   2.446
  163   2HZ   LYS  20          HZ2       LYS  20 -18.297   4.381   2.376
  164   3HZ   LYS  20          HZ3       LYS  20 -17.298   4.545   1.020
  165    H    THR  21           HN       THR  21 -14.026   2.537   2.324
  166    HA   THR  21           HA       THR  21 -11.693   4.181   1.766
  167    HB   THR  21           HB       THR  21 -13.702   6.083   2.273
  168    HG1  THR  21           HG1      THR  21 -14.937   5.668   0.268
  169   1HG2  THR  21          HG21      THR  21 -12.941   5.872  -0.519
  170   2HG2  THR  21          HG22      THR  21 -11.567   5.840   0.587
  171   3HG2  THR  21          HG23      THR  21 -12.704   7.187   0.633
  172    H    ARG  22           HN       ARG  22 -10.691   4.244   3.650
  173    HA   ARG  22           HA       ARG  22 -12.183   4.041   6.130
  174   1HB   ARG  22          HB1       ARG  22  -9.755   3.062   5.352
  175   2HB   ARG  22          HB2       ARG  22  -9.272   4.489   6.260
  176   1HG   ARG  22          HG1       ARG  22  -9.350   3.116   8.022
  177   2HG   ARG  22          HG2       ARG  22 -11.091   3.397   7.946
  178   1HD   ARG  22          HD1       ARG  22  -9.748   1.169   6.438
  179   2HD   ARG  22          HD2       ARG  22 -10.321   0.978   8.094
  180    HE   ARG  22           HE       ARG  22 -12.078   1.667   5.827
  181   1HH1  ARG  22          HH22      ARG  22 -11.457   0.016   8.834
  182   2HH1  ARG  22          HH21      ARG  22 -13.025  -0.713   8.905
  183   1HH2  ARG  22          HH11      ARG  22 -14.143   0.711   5.914
  184   2HH2  ARG  22          HH12      ARG  22 -14.553  -0.319   7.246
  185    H    LYS  23           HN       LYS  23 -10.409   5.518   7.794
  186    HA   LYS  23           HA       LYS  23 -10.480   8.257   6.827
  187   1HB   LYS  23          HB1       LYS  23 -12.740   7.859   7.767
  188   2HB   LYS  23          HB2       LYS  23 -12.006   7.432   9.306
  189   1HG   LYS  23          HG2       LYS  23 -12.022   9.558   9.907
  190   2HG   LYS  23          HG1       LYS  23 -10.990   9.962   8.534
  191   1HD   LYS  23          HD1       LYS  23 -12.681  11.094   7.643
  192   2HD   LYS  23          HD2       LYS  23 -13.581   9.582   7.502
  193   1HE   LYS  23          HE2       LYS  23 -14.117  10.027  10.029
  194   2HE   LYS  23          HE1       LYS  23 -13.728  11.694   9.604
  195   1HZ   LYS  23          HZ1       LYS  23 -15.386  10.891   7.607
  196   2HZ   LYS  23          HZ2       LYS  23 -15.833  11.827   8.943
  197   3HZ   LYS  23          HZ3       LYS  23 -16.056  10.150   8.972
  198    H    CYS  24           HN       CYS  24  -9.136   9.650   7.943
  199    HA   CYS  24           HA       CYS  24  -7.223   8.330   9.725
  200   1HB   CYS  24          HB2       CYS  24  -6.521   9.602   7.597
  201   2HB   CYS  24          HB1       CYS  24  -6.890  11.065   8.505
  202    HG   CYS  24           HG       CYS  24  -5.032  10.057  10.270
  203    H    VAL  25           HN       VAL  25  -7.207   8.753  11.824
  204    HA   VAL  25           HA       VAL  25  -9.124  10.466  13.012
  205    HB   VAL  25           HB       VAL  25  -6.713   9.504  14.506
  206   1HG1  VAL  25          HG11      VAL  25  -9.043  10.774  15.242
  207   2HG1  VAL  25          HG12      VAL  25  -7.959   9.892  16.318
  208   3HG1  VAL  25          HG13      VAL  25  -9.365   9.084  15.628
  209   1HG2  VAL  25          HG21      VAL  25  -8.213   7.817  12.867
  210   2HG2  VAL  25          HG22      VAL  25  -8.834   7.552  14.496
  211   3HG2  VAL  25          HG23      VAL  25  -7.115   7.344  14.164
  212    H    CYS  26           HN       CYS  26  -5.869  10.910  11.955
  213    HA   CYS  26           HA       CYS  26  -5.222  13.174  13.546
  214   1HB   CYS  26          HB2       CYS  26  -3.706  11.601  12.077
  215   2HB   CYS  26          HB1       CYS  26  -4.062  12.775  10.814
  216    HG   CYS  26           HG       CYS  26  -2.893  13.945  13.401
  217    H    GLY  27           HN       GLY  27  -6.997  12.716  10.586
  218   1HA   GLY  27          HA1       GLY  27  -8.647  14.622  10.288
  219   2HA   GLY  27          HA2       GLY  27  -7.217  15.645  10.276
  220    H    ARG  28           HN       ARG  28  -8.469  12.736   8.642
  221    HA   ARG  28           HA       ARG  28  -8.328  13.879   6.056
  222   1HB   ARG  28          HB2       ARG  28  -5.927  12.559   7.086
  223   2HB   ARG  28          HB1       ARG  28  -6.496  11.866   5.572
  224   1HG   ARG  28          HG1       ARG  28  -6.293  13.934   4.444
  225   2HG   ARG  28          HG2       ARG  28  -6.070  14.812   5.959
  226   1HD   ARG  28          HD1       ARG  28  -4.099  12.739   5.717
  227   2HD   ARG  28          HD2       ARG  28  -4.087  13.755   4.276
  228    HE   ARG  28           HE       ARG  28  -4.094  15.190   6.783
  229   1HH1  ARG  28          HH22      ARG  28  -2.165  13.775   4.249
  230   2HH1  ARG  28          HH21      ARG  28  -0.775  14.753   4.585
  231   1HH2  ARG  28          HH11      ARG  28  -2.270  16.481   7.231
  232   2HH2  ARG  28          HH12      ARG  28  -0.835  16.292   6.280
  233    H    THR  29           HN       THR  29  -7.929  11.610   4.516
  234    HA   THR  29           HA       THR  29  -9.778   9.594   5.561
  235    HB   THR  29           HB       THR  29 -10.095  10.930   2.865
  236    HG1  THR  29           HG1      THR  29 -11.902  11.862   3.730
  237   1HG2  THR  29          HG21      THR  29 -10.797   8.624   2.754
  238   2HG2  THR  29          HG22      THR  29 -12.197   9.696   2.715
  239   3HG2  THR  29          HG23      THR  29 -11.787   8.835   4.198
  240    H    VAL  30           HN       VAL  30  -9.270   7.551   4.974
  241    HA   VAL  30           HA       VAL  30  -6.873   7.207   3.340
  242    HB   VAL  30           HB       VAL  30  -8.316   5.152   5.010
  243   1HG1  VAL  30          HG21      VAL  30  -7.031   3.917   3.550
  244   2HG1  VAL  30          HG22      VAL  30  -5.902   4.164   4.882
  245   3HG1  VAL  30          HG23      VAL  30  -5.784   5.159   3.431
  246   1HG2  VAL  30          HG11      VAL  30  -7.582   6.533   6.663
  247   2HG2  VAL  30          HG12      VAL  30  -6.284   7.204   5.675
  248   3HG2  VAL  30          HG13      VAL  30  -6.102   5.608   6.404
  249    H    ASN  31           HN       ASN  31  -7.238   6.977   1.246
  250    HA   ASN  31           HA       ASN  31  -9.644   5.601   0.318
  251   1HB   ASN  31          HB2       ASN  31  -7.981   7.722  -0.704
  252   2HB   ASN  31          HB1       ASN  31  -8.113   6.432  -1.895
  253   1HD2  ASN  31          HD21      ASN  31  -9.982   8.583   0.171
  254   2HD2  ASN  31          HD22      ASN  31 -11.387   8.624  -0.835
  255    H    VAL  32           HN       VAL  32  -9.560   3.486  -0.071
  256    HA   VAL  32           HA       VAL  32  -7.106   2.050  -0.226
  257    HB   VAL  32           HB       VAL  32  -8.338   0.092  -0.387
  258   1HG1  VAL  32          HG11      VAL  32 -10.576   1.462   0.902
  259   2HG1  VAL  32          HG12      VAL  32  -8.991   1.932   1.516
  260   3HG1  VAL  32          HG13      VAL  32  -9.476   0.237   1.533
  261   1HG2  VAL  32          HG21      VAL  32 -10.230  -0.279  -1.561
  262   2HG2  VAL  32          HG22      VAL  32  -9.747   1.211  -2.375
  263   3HG2  VAL  32          HG23      VAL  32 -10.955   1.259  -1.091
  264    H    LYS  33           HN       LYS  33  -7.358   0.245  -2.269
  265    HA   LYS  33           HA       LYS  33  -6.239   1.601  -4.438
  266   1HB   LYS  33          HB2       LYS  33  -6.851  -1.100  -3.750
  267   2HB   LYS  33          HB1       LYS  33  -7.418  -0.809  -5.389
  268   1HG   LYS  33          HG2       LYS  33  -4.907   0.348  -5.346
  269   2HG   LYS  33          HG1       LYS  33  -4.721  -1.123  -4.387
  270   1HD   LYS  33          HD1       LYS  33  -4.915  -2.447  -6.182
  271   2HD   LYS  33          HD2       LYS  33  -6.278  -1.523  -6.821
  272   1HE   LYS  33          HE1       LYS  33  -3.836  -0.005  -7.004
  273   2HE   LYS  33          HE2       LYS  33  -3.655  -1.574  -7.790
  274   1HZ   LYS  33          HZ1       LYS  33  -6.146  -0.483  -8.495
  275   2HZ   LYS  33          HZ2       LYS  33  -4.826  -0.829  -9.496
  276   3HZ   LYS  33          HZ3       LYS  33  -4.956   0.690  -8.762
  277    H    ASP  34           HN       ASP  34  -7.276   1.046  -6.776
  278    HA   ASP  34           HA       ASP  34  -9.737   2.598  -6.817
  279   1HB   ASP  34          HB2       ASP  34  -7.682   2.947  -8.361
  280   2HB   ASP  34          HB1       ASP  34  -8.308   1.564  -9.256
  281    H    ARG  35           HN       ARG  35  -8.550  -0.550  -7.928
  282    HA   ARG  35           HA       ARG  35 -11.218  -1.367  -8.722
  283   1HB   ARG  35          HB1       ARG  35  -9.903  -3.631  -9.017
  284   2HB   ARG  35          HB2       ARG  35  -9.722  -2.328 -10.182
  285   1HG   ARG  35          HG2       ARG  35  -7.757  -1.704  -8.434
  286   2HG   ARG  35          HG1       ARG  35  -7.778  -3.464  -8.298
  287   1HD   ARG  35          HD2       ARG  35  -6.215  -2.816 -10.014
  288   2HD   ARG  35          HD1       ARG  35  -7.597  -3.623 -10.755
  289    HE   ARG  35           HE       ARG  35  -8.057  -0.856 -10.754
  290   1HH1  ARG  35          HH11      ARG  35  -5.984  -3.219 -12.259
  291   2HH1  ARG  35          HH12      ARG  35  -5.772  -2.298 -13.710
  292   1HH2  ARG  35          HH22      ARG  35  -7.782   0.363 -12.661
  293   2HH2  ARG  35          HH21      ARG  35  -6.794  -0.262 -13.938
  294    H    ARG  36           HN       ARG  36  -9.370  -3.859  -7.293
  295    HA   ARG  36           HA       ARG  36 -11.376  -4.290  -5.288
  296   1HB   ARG  36          HB2       ARG  36  -8.751  -5.755  -5.517
  297   2HB   ARG  36          HB1       ARG  36 -10.258  -6.332  -4.818
  298   1HG   ARG  36          HG2       ARG  36 -11.267  -6.223  -7.101
  299   2HG   ARG  36          HG1       ARG  36  -9.657  -5.863  -7.728
  300   1HD   ARG  36          HD1       ARG  36  -9.066  -8.007  -7.654
  301   2HD   ARG  36          HD2       ARG  36  -9.603  -8.159  -5.982
  302    HE   ARG  36           HE       ARG  36 -11.853  -8.156  -7.655
  303   1HH1  ARG  36          HH12      ARG  36  -9.110 -10.159  -6.873
  304   2HH1  ARG  36          HH11      ARG  36  -9.923 -11.640  -7.249
  305   1HH2  ARG  36          HH21      ARG  36 -12.930 -10.103  -8.154
  306   2HH2  ARG  36          HH22      ARG  36 -12.094 -11.610  -7.977
  307    H    ILE  37           HN       ILE  37  -8.021  -4.788  -4.475
  308    HA   ILE  37           HA       ILE  37  -7.889  -2.505  -2.700
  309    HB   ILE  37           HB       ILE  37  -8.779  -5.079  -1.762
  310   1HG1  ILE  37          HG12      ILE  37  -9.631  -2.752  -1.243
  311   2HG1  ILE  37          HG11      ILE  37  -9.463  -3.832   0.138
  312   1HG2  ILE  37          HG21      ILE  37  -6.323  -5.403  -1.387
  313   2HG2  ILE  37          HG22      ILE  37  -7.321  -5.497   0.063
  314   3HG2  ILE  37          HG23      ILE  37  -6.382  -4.040  -0.266
  315   1HD1  ILE  37          HD11      ILE  37  -7.783  -1.477  -0.618
  316   2HD1  ILE  37          HD12      ILE  37  -7.185  -2.719   0.482
  317   3HD1  ILE  37          HD13      ILE  37  -8.634  -1.800   0.893
  318    H    PHE  38           HN       PHE  38  -5.791  -2.290  -1.674
  319    HA   PHE  38           HA       PHE  38  -3.671  -3.439  -3.320
  320   1HB   PHE  38          HB1       PHE  38  -4.051  -0.903  -2.346
  321   2HB   PHE  38          HB2       PHE  38  -2.922  -1.567  -1.171
  322    HD1  PHE  38           HD1      PHE  38  -2.891   0.521  -3.724
  323    HD2  PHE  38           HD2      PHE  38  -1.166  -3.239  -2.726
  324    HE1  PHE  38           HE1      PHE  38  -1.025   0.973  -5.261
  325    HE2  PHE  38           HE2      PHE  38   0.703  -2.794  -4.262
  326    HZ   PHE  38           HZ       PHE  38   0.775  -0.686  -5.531
  327    H    GLY  39           HN       GLY  39  -1.879  -4.523  -2.418
  328   1HA   GLY  39          HA1       GLY  39  -1.008  -6.211  -1.109
  329   2HA   GLY  39          HA2       GLY  39  -1.227  -5.026   0.169
  330    H    ARG  40           HN       ARG  40  -2.486  -7.905  -1.325
  331    HA   ARG  40           HA       ARG  40  -4.686  -8.067   0.582
  332   1HB   ARG  40          HB1       ARG  40  -4.741  -8.797  -1.928
  333   2HB   ARG  40          HB2       ARG  40  -3.949 -10.248  -1.333
  334   1HG   ARG  40          HG2       ARG  40  -6.277 -10.691  -1.446
  335   2HG   ARG  40          HG1       ARG  40  -5.843 -10.548   0.259
  336   1HD   ARG  40          HD2       ARG  40  -7.874  -9.355  -0.043
  337   2HD   ARG  40          HD1       ARG  40  -6.593  -8.158   0.150
  338    HE   ARG  40           HE       ARG  40  -6.831  -7.564  -2.093
  339   1HH1  ARG  40          HH21      ARG  40  -8.950 -10.200  -1.244
  340   2HH1  ARG  40          HH22      ARG  40  -9.924 -10.042  -2.668
  341   1HH2  ARG  40          HH11      ARG  40  -8.108  -7.354  -3.968
  342   2HH2  ARG  40          HH12      ARG  40  -9.445  -8.426  -4.216
  343    H    ALA  41           HN       ALA  41  -3.595  -8.298   2.513
  344    HA   ALA  41           HA       ALA  41  -1.711 -10.503   2.804
  345   1HB   ALA  41          HB1       ALA  41  -1.436  -9.539   5.121
  346   2HB   ALA  41          HB2       ALA  41  -2.484  -8.216   4.596
  347   3HB   ALA  41          HB3       ALA  41  -0.946  -8.499   3.780
  348    H    ASP  42           HN       ASP  42  -2.356 -12.431   3.464
  349    HA   ASP  42           HA       ASP  42  -4.981 -12.792   4.631
  350   1HB   ASP  42          HB1       ASP  42  -3.686 -14.340   2.929
  351   2HB   ASP  42          HB2       ASP  42  -2.982 -15.010   4.398
  352    H    ASP  43           HN       ASP  43  -1.605 -13.025   5.593
  353    HA   ASP  43           HA       ASP  43  -2.341 -13.816   8.305
  354   1HB   ASP  43          HB2       ASP  43   0.230 -13.661   6.777
  355   2HB   ASP  43          HB1       ASP  43   0.275 -13.633   8.537
  356    H    PHE  44           HN       PHE  44  -2.249 -12.496  10.052
  357    HA   PHE  44           HA       PHE  44  -2.406  -9.724   9.756
  358   1HB   PHE  44          HB1       PHE  44  -3.315 -10.860  11.710
  359   2HB   PHE  44          HB2       PHE  44  -1.699 -11.350  12.208
  360    HD1  PHE  44           HD1      PHE  44  -0.323  -9.916  13.467
  361    HD2  PHE  44           HD2      PHE  44  -3.923  -8.437  11.744
  362    HE1  PHE  44           HE1      PHE  44  -0.098  -7.849  14.783
  363    HE2  PHE  44           HE2      PHE  44  -3.704  -6.367  13.056
  364    HZ   PHE  44           HZ       PHE  44  -1.791  -6.071  14.577
  365    H    GLU  45           HN       GLU  45   0.328 -11.822  10.442
  366    HA   GLU  45           HA       GLU  45   2.185  -9.790  11.092
  367   1HB   GLU  45          HB1       GLU  45   2.249 -12.666  10.548
  368   2HB   GLU  45          HB2       GLU  45   3.696 -11.829  10.005
  369   1HG   GLU  45          HG1       GLU  45   2.697 -11.248  12.736
  370   2HG   GLU  45          HG2       GLU  45   3.471 -12.806  12.445
  371    H    GLU  46           HN       GLU  46   1.353 -11.413   8.060
  372    HA   GLU  46           HA       GLU  46   3.311 -10.098   6.480
  373   1HB   GLU  46          HB1       GLU  46   0.885 -11.744   5.955
  374   2HB   GLU  46          HB2       GLU  46   1.495 -10.755   4.636
  375   1HG   GLU  46          HG1       GLU  46   3.574 -11.876   4.631
  376   2HG   GLU  46          HG2       GLU  46   3.229 -12.669   6.167
  377    H    ALA  47           HN       ALA  47   0.188  -9.218   7.661
  378    HA   ALA  47           HA       ALA  47  -0.559  -7.262   5.795
  379   1HB   ALA  47          HB1       ALA  47  -1.414  -8.129   8.405
  380   2HB   ALA  47          HB2       ALA  47  -2.342  -7.363   7.115
  381   3HB   ALA  47          HB3       ALA  47  -1.466  -6.369   8.280
  382    H    SER  48           HN       SER  48   1.077  -6.839   8.936
  383    HA   SER  48           HA       SER  48   1.565  -4.099   8.684
  384   1HB   SER  48          HB2       SER  48   2.341  -6.238  10.475
  385   2HB   SER  48          HB1       SER  48   3.689  -5.135  10.196
  386    HG   SER  48           HG       SER  48   1.077  -4.323  10.949
  387    H    GLU  49           HN       GLU  49   3.388  -6.879   7.549
  388    HA   GLU  49           HA       GLU  49   5.737  -5.451   6.840
  389   1HB   GLU  49          HB2       GLU  49   4.714  -8.169   6.572
  390   2HB   GLU  49          HB1       GLU  49   5.646  -7.664   5.169
  391   1HG   GLU  49          HG2       GLU  49   7.554  -7.183   6.532
  392   2HG   GLU  49          HG1       GLU  49   6.628  -7.466   8.006
  393    H    LEU  50           HN       LEU  50   2.801  -6.332   5.093
  394    HA   LEU  50           HA       LEU  50   3.677  -5.462   2.542
  395   1HB   LEU  50          HB1       LEU  50   1.278  -6.533   3.724
  396   2HB   LEU  50          HB2       LEU  50   0.878  -5.186   2.675
  397    HG   LEU  50           HG       LEU  50   2.471  -7.620   1.857
  398   1HD1  LEU  50          HD11      LEU  50  -0.161  -7.016   0.668
  399   2HD1  LEU  50          HD12      LEU  50  -0.167  -7.609   2.329
  400   3HD1  LEU  50          HD13      LEU  50   0.585  -8.567   1.053
  401   1HD2  LEU  50          HD21      LEU  50   3.087  -6.476   0.064
  402   2HD2  LEU  50          HD22      LEU  50   2.300  -5.038   0.715
  403   3HD2  LEU  50          HD23      LEU  50   1.398  -6.144  -0.322
  404    H    VAL  51           HN       VAL  51   1.968  -3.911   5.197
  405    HA   VAL  51           HA       VAL  51   1.347  -1.489   3.896
  406    HB   VAL  51           HB       VAL  51   1.757  -2.120   6.816
  407   1HG1  VAL  51          HG21      VAL  51   1.751   0.054   7.253
  408   2HG1  VAL  51          HG22      VAL  51   0.143   0.163   6.538
  409   3HG1  VAL  51          HG23      VAL  51   1.572   0.434   5.541
  410   1HG2  VAL  51          HG11      VAL  51  -0.462  -2.368   4.938
  411   2HG2  VAL  51          HG12      VAL  51  -0.884  -1.511   6.420
  412   3HG2  VAL  51          HG13      VAL  51  -0.210  -3.139   6.505
  413    H    ARG  52           HN       ARG  52   4.153  -2.541   5.781
  414    HA   ARG  52           HA       ARG  52   5.467  -0.061   5.917
  415   1HB   ARG  52          HB1       ARG  52   6.497  -2.898   5.962
  416   2HB   ARG  52          HB2       ARG  52   7.556  -1.509   6.161
  417   1HG   ARG  52          HG1       ARG  52   5.160  -1.921   7.915
  418   2HG   ARG  52          HG2       ARG  52   6.715  -2.680   8.264
  419   1HD   ARG  52          HD2       ARG  52   7.426  -0.083   7.775
  420   2HD   ARG  52          HD1       ARG  52   5.867   0.098   8.579
  421    HE   ARG  52           HE       ARG  52   8.257  -1.174   9.719
  422   1HH1  ARG  52          HH21      ARG  52   5.052   0.146  10.088
  423   2HH1  ARG  52          HH22      ARG  52   5.112   0.142  11.819
  424   1HH2  ARG  52          HH11      ARG  52   8.343  -1.181  11.996
  425   2HH2  ARG  52          HH12      ARG  52   6.982  -0.611  12.903
  426    H    LYS  53           HN       LYS  53   5.478  -2.613   3.491
  427    HA   LYS  53           HA       LYS  53   7.458  -1.420   1.820
  428   1HB   LYS  53          HB2       LYS  53   6.404  -3.866   1.860
  429   2HB   LYS  53          HB1       LYS  53   5.320  -3.155   0.673
  430   1HG   LYS  53          HG1       LYS  53   6.958  -4.031  -0.668
  431   2HG   LYS  53          HG2       LYS  53   7.524  -2.372  -0.467
  432   1HD   LYS  53          HD2       LYS  53   8.907  -3.225   1.477
  433   2HD   LYS  53          HD1       LYS  53   8.514  -4.852   0.917
  434   1HE   LYS  53          HE2       LYS  53   9.348  -3.734  -1.391
  435   2HE   LYS  53          HE1       LYS  53  10.327  -2.832  -0.234
  436   1HZ   LYS  53          HZ1       LYS  53  10.499  -5.443   0.578
  437   2HZ   LYS  53          HZ2       LYS  53  11.688  -4.567  -0.244
  438   3HZ   LYS  53          HZ3       LYS  53  10.597  -5.529  -1.108
  439    H    LEU  54           HN       LEU  54   3.979  -1.225   2.142
  440    HA   LEU  54           HA       LEU  54   3.466   0.261  -0.224
  441   1HB   LEU  54          HB1       LEU  54   1.993  -0.717   2.058
  442   2HB   LEU  54          HB2       LEU  54   1.533   0.936   1.706
  443    HG   LEU  54           HG       LEU  54   0.057  -0.680   0.605
  444   1HD1  LEU  54          HD11      LEU  54  -0.166   0.542  -1.293
  445   2HD1  LEU  54          HD12      LEU  54   1.556   0.484  -1.669
  446   3HD1  LEU  54          HD13      LEU  54   0.960   1.590  -0.431
  447   1HD2  LEU  54          HD21      LEU  54   2.579  -1.895  -0.132
  448   2HD2  LEU  54          HD22      LEU  54   1.525  -1.656  -1.526
  449   3HD2  LEU  54          HD23      LEU  54   0.952  -2.575  -0.134
  450    H    GLN  55           HN       GLN  55   4.838   1.063   2.801
  451    HA   GLN  55           HA       GLN  55   4.079   3.778   2.982
  452   1HB   GLN  55          HB1       GLN  55   6.259   2.115   4.183
  453   2HB   GLN  55          HB2       GLN  55   6.299   3.862   4.376
  454   1HG   GLN  55          HG2       GLN  55   4.093   2.012   5.252
  455   2HG   GLN  55          HG1       GLN  55   5.263   2.826   6.289
  456   1HE2  GLN  55          HE22      GLN  55   5.254   5.215   6.191
  457   2HE2  GLN  55          HE21      GLN  55   3.729   6.011   6.030
  458    H    GLU  56           HN       GLU  56   6.345   5.250   3.270
  459    HA   GLU  56           HA       GLU  56   7.038   5.794   0.528
  460   1HB   GLU  56          HB1       GLU  56   6.889   7.282   2.900
  461   2HB   GLU  56          HB2       GLU  56   8.592   7.284   2.462
  462   1HG   GLU  56          HG1       GLU  56   8.248   8.763   0.853
  463   2HG   GLU  56          HG2       GLU  56   6.958   7.786   0.152
  464    H    GLU  57           HN       GLU  57   7.961   3.264   1.325
  465    HA   GLU  57           HA       GLU  57  10.741   3.395   2.011
  466   1HB   GLU  57          HB1       GLU  57   8.731   1.365   1.747
  467   2HB   GLU  57          HB2       GLU  57  10.151   0.894   0.822
  468   1HG   GLU  57          HG2       GLU  57  11.378   1.638   3.052
  469   2HG   GLU  57          HG1       GLU  57   9.809   1.228   3.743
  470    H    LYS  58           HN       LYS  58  12.431   2.420   0.611
  471    HA   LYS  58           HA       LYS  58  12.381   3.668  -1.967
  472   1HB   LYS  58          HB2       LYS  58  14.397   3.562  -0.463
  473   2HB   LYS  58          HB1       LYS  58  14.506   1.847  -0.835
  474   1HG   LYS  58          HG1       LYS  58  14.792   2.390  -3.208
  475   2HG   LYS  58          HG2       LYS  58  14.715   4.109  -2.812
  476   1HD   LYS  58          HD1       LYS  58  16.656   3.548  -1.176
  477   2HD   LYS  58          HD2       LYS  58  16.853   2.115  -2.186
  478   1HE   LYS  58          HE1       LYS  58  16.824   3.794  -4.154
  479   2HE   LYS  58          HE2       LYS  58  17.174   5.001  -2.916
  480   1HZ   LYS  58          HZ1       LYS  58  19.274   4.412  -3.487
  481   2HZ   LYS  58          HZ2       LYS  58  18.854   2.835  -3.927
  482   3HZ   LYS  58          HZ3       LYS  58  19.011   3.243  -2.293
  483    H    TYR  59           HN       TYR  59  12.582   2.658  -3.986
  484    HA   TYR  59           HA       TYR  59  11.337   0.033  -4.106
  485   1HB   TYR  59          HB2       TYR  59  10.898   2.227  -5.584
  486   2HB   TYR  59          HB1       TYR  59  12.126   1.466  -6.589
  487    HD1  TYR  59           HD1      TYR  59   8.686   1.327  -5.436
  488    HD2  TYR  59           HD2      TYR  59  11.706  -0.751  -7.594
  489    HE1  TYR  59           HE1      TYR  59   6.970  -0.133  -6.419
  490    HE2  TYR  59           HE2      TYR  59   9.997  -2.216  -8.584
  491    HH   TYR  59           HH       TYR  59   7.578  -2.988  -7.838
  492    H    GLY  60           HN       GLY  60  13.834   1.371  -6.247
  493   1HA   GLY  60          HA1       GLY  60  16.130   0.258  -5.779
  494   2HA   GLY  60          HA2       GLY  60  15.222  -1.214  -6.092
  495    H    SER  61           HN       SER  61  13.949   1.206  -7.971
  496    HA   SER  61           HA       SER  61  15.259   0.148 -10.339
  497   1HB   SER  61          HB2       SER  61  12.738   1.551  -9.749
  498   2HB   SER  61          HB1       SER  61  13.503   2.032 -11.263
  499    HG   SER  61           HG       SER  61  13.293  -0.695 -10.672
  500    H    CYS  62           HN       CYS  62  15.372   2.075 -12.130
  501    HA   CYS  62           HA       CYS  62  17.381   3.902 -11.035
  502   1HB   CYS  62          HB2       CYS  62  16.754   3.002 -13.849
  503   2HB   CYS  62          HB1       CYS  62  17.900   4.291 -13.492
  504    HG   CYS  62           HG       CYS  62  18.341   1.309 -12.743
  505    H    HIS  63           HN       HIS  63  14.450   4.284 -10.765
  506    HA   HIS  63           HA       HIS  63  13.765   6.474 -12.501
  507   1HB   HIS  63          HB1       HIS  63  12.436   5.255 -10.082
  508   2HB   HIS  63          HB2       HIS  63  11.785   6.669 -10.903
  509    HD2  HIS  63           HD2      HIS  63  11.157   6.141 -13.708
  510    HE1  HIS  63           HE1      HIS  63  10.517   2.038 -12.886
  511    HE2  HIS  63           HE2      HIS  63  10.166   3.902 -14.569
  512    H    PHE  64           HN       PHE  64  15.498   6.126  -9.592
  513    HA   PHE  64           HA       PHE  64  14.946   8.747  -8.541
  514   1HB   PHE  64          HB2       PHE  64  16.052   6.405  -7.523
  515   2HB   PHE  64          HB1       PHE  64  17.414   7.518  -7.595
  516    HD1  PHE  64           HD1      PHE  64  17.535   9.431  -6.167
  517    HD2  PHE  64           HD2      PHE  64  14.110   6.906  -6.124
  518    HE1  PHE  64           HE1      PHE  64  16.780  10.497  -4.083
  519    HE2  PHE  64           HE2      PHE  64  13.348   7.969  -4.039
  520    HZ   PHE  64           HZ       PHE  64  14.684   9.767  -3.016
  521    H    THR  65           HN       THR  65  16.036  10.599  -8.869
  522    HA   THR  65           HA       THR  65  18.170  10.558 -10.870
  523    HB   THR  65           HB       THR  65  16.977  13.088  -9.811
  524    HG1  THR  65           HG1      THR  65  15.668  11.148 -11.350
  525   1HG2  THR  65          HG21      THR  65  17.561  12.357 -12.654
  526   2HG2  THR  65          HG22      THR  65  18.791  13.012 -11.575
  527   3HG2  THR  65          HG23      THR  65  17.350  13.957 -11.945
  528    H    ASN  66           HN       ASN  66  20.186  10.536 -10.161
  529    HA   ASN  66           HA       ASN  66  20.848  11.344  -7.475
  530   1HB   ASN  66          HB2       ASN  66  22.569  10.335  -9.750
  531   2HB   ASN  66          HB1       ASN  66  23.156  10.644  -8.117
  532   1HD2  ASN  66          HD21      ASN  66  23.760   8.502  -7.842
  533   2HD2  ASN  66          HD22      ASN  66  22.601   7.245  -7.589
  534    HA   PRO  67           HA       PRO  67  22.131  15.515  -8.119
  535   1HB   PRO  67          HB1       PRO  67  24.541  15.531  -6.762
  536   2HB   PRO  67          HB2       PRO  67  22.956  15.722  -6.007
  537   1HG   PRO  67          HG2       PRO  67  24.666  13.279  -6.241
  538   2HG   PRO  67          HG1       PRO  67  23.688  13.839  -4.871
  539   1HD   PRO  67          HD2       PRO  67  22.843  11.861  -6.465
  540   2HD   PRO  67          HD1       PRO  67  21.709  13.058  -5.802
  541    H    SER  68           HN       SER  68  24.520  12.978  -8.672
  542    HA   SER  68           HA       SER  68  26.111  14.642 -10.425
  543   1HB   SER  68          HB1       SER  68  27.176  12.912  -9.004
  544   2HB   SER  68          HB2       SER  68  26.293  11.665  -9.886
  545    HG   SER  68           HG       SER  68  28.603  12.826 -10.527
  546    H    LYS  69           HN       LYS  69  23.383  12.627 -10.660
  547    HA   LYS  69           HA       LYS  69  23.748  12.032 -13.481
  548   1HB   LYS  69          HB1       LYS  69  22.429  10.740 -11.436
  549   2HB   LYS  69          HB2       LYS  69  21.110  11.503 -12.313
  550   1HG   LYS  69          HG1       LYS  69  21.301  10.118 -14.060
  551   2HG   LYS  69          HG2       LYS  69  23.066  10.144 -14.017
  552   1HD   LYS  69          HD1       LYS  69  22.051   8.788 -11.700
  553   2HD   LYS  69          HD2       LYS  69  21.355   8.086 -13.163
  554   1HE   LYS  69          HE1       LYS  69  23.327   6.878 -12.823
  555   2HE   LYS  69          HE2       LYS  69  23.740   8.053 -14.071
  556   1HZ   LYS  69          HZ1       LYS  69  24.461   9.454 -12.000
  557   2HZ   LYS  69          HZ2       LYS  69  25.499   8.294 -12.665
  558   3HZ   LYS  69          HZ3       LYS  69  24.605   7.933 -11.275
  559    H    ARG  70           HN       ARG  70  23.745  14.122 -14.373
  560    HA   ARG  70           HA       ARG  70  21.490  15.872 -13.958
  561   1HB   ARG  70          HB2       ARG  70  22.620  17.282 -15.692
  562   2HB   ARG  70          HB1       ARG  70  23.623  16.912 -14.297
  563   1HG   ARG  70          HG1       ARG  70  24.514  14.966 -15.740
  564   2HG   ARG  70          HG2       ARG  70  23.820  15.867 -17.090
  565   1HD   ARG  70          HD1       ARG  70  26.035  16.601 -16.987
  566   2HD   ARG  70          HD2       ARG  70  25.116  17.874 -16.182
  567    HE   ARG  70           HE       ARG  70  25.834  16.804 -14.052
  568   1HH1  ARG  70          HH21      ARG  70  27.672  16.329 -16.973
  569   2HH1  ARG  70          HH22      ARG  70  29.158  16.016 -16.141
  570   1HH2  ARG  70          HH12      ARG  70  27.787  16.391 -12.946
  571   2HH2  ARG  70          HH11      ARG  70  29.224  16.051 -13.853
  572    H    GLU  71           HN       GLU  71  19.818  16.277 -15.335
  573    HA   GLU  71           HA       GLU  71  19.323  14.261 -17.372
  574   1HB   GLU  71          HB2       GLU  71  17.711  15.696 -15.558
  575   2HB   GLU  71          HB1       GLU  71  17.240  16.240 -17.162
  576   1HG   GLU  71          HG2       GLU  71  15.834  14.468 -16.896
  577   2HG   GLU  71          HG1       GLU  71  17.198  13.674 -17.683
  Start of MODEL   18
    1   1H    MET   1          HT1       MET   1 -10.503 -11.758   5.584
    2   2H    MET   1          HT2       MET   1  -9.942 -12.103   7.169
    3   3H    MET   1          HT3       MET   1  -9.935 -13.331   5.971
    4    HA   MET   1           HA       MET   1  -7.753 -12.453   6.372
    5   1HB   MET   1          HB2       MET   1  -7.320 -11.854   3.948
    6   2HB   MET   1          HB1       MET   1  -8.166 -13.371   4.219
    7   1HG   MET   1          HG2       MET   1 -10.213 -11.557   3.972
    8   2HG   MET   1          HG1       MET   1  -9.019 -10.975   2.814
    9   1HE   MET   1          HE1       MET   1 -12.162 -13.750   2.102
   10   2HE   MET   1          HE2       MET   1 -11.859 -12.256   1.216
   11   3HE   MET   1          HE3       MET   1 -11.944 -12.234   2.977
   12    H    TYR   2           HN       TYR   2  -6.354 -10.585   5.305
   13    HA   TYR   2           HA       TYR   2  -7.525  -8.048   6.239
   14   1HB   TYR   2          HB2       TYR   2  -4.885  -9.308   6.649
   15   2HB   TYR   2          HB1       TYR   2  -4.842  -7.585   6.283
   16    HD1  TYR   2           HD1      TYR   2  -6.492 -10.034   8.559
   17    HD2  TYR   2           HD2      TYR   2  -5.140  -6.041   7.992
   18    HE1  TYR   2           HE1      TYR   2  -7.024  -9.528  10.906
   19    HE2  TYR   2           HE2      TYR   2  -5.667  -5.523  10.337
   20    HH   TYR   2           HH       TYR   2  -7.318  -7.838  12.406
   21    H    ILE   3           HN       ILE   3  -6.875  -6.113   5.159
   22    HA   ILE   3           HA       ILE   3  -5.922  -6.488   2.398
   23    HB   ILE   3           HB       ILE   3  -7.477  -4.582   1.780
   24   1HG1  ILE   3          HG12      ILE   3  -9.165  -5.371   4.115
   25   2HG1  ILE   3          HG11      ILE   3  -7.867  -4.208   4.375
   26   1HG2  ILE   3          HG21      ILE   3  -9.200  -6.838   2.616
   27   2HG2  ILE   3          HG22      ILE   3  -7.829  -7.207   1.570
   28   3HG2  ILE   3          HG23      ILE   3  -9.048  -6.042   1.048
   29   1HD1  ILE   3          HD11      ILE   3  -9.604  -3.665   2.071
   30   2HD1  ILE   3          HD12      ILE   3  -8.943  -2.572   3.288
   31   3HD1  ILE   3          HD13      ILE   3 -10.367  -3.545   3.657
   32    H    ILE   4           HN       ILE   4  -5.048  -4.472   1.444
   33    HA   ILE   4           HA       ILE   4  -4.098  -2.585   3.493
   34    HB   ILE   4           HB       ILE   4  -2.511  -3.953   1.347
   35   1HG1  ILE   4          HG11      ILE   4  -0.863  -3.775   3.418
   36   2HG1  ILE   4          HG12      ILE   4  -2.367  -3.550   4.306
   37   1HG2  ILE   4          HG21      ILE   4  -2.284  -1.149   2.125
   38   2HG2  ILE   4          HG22      ILE   4  -1.560  -2.012   0.761
   39   3HG2  ILE   4          HG23      ILE   4  -0.790  -2.059   2.347
   40   1HD1  ILE   4          HD11      ILE   4  -2.070  -5.811   4.462
   41   2HD1  ILE   4          HD12      ILE   4  -1.367  -5.941   2.850
   42   3HD1  ILE   4          HD13      ILE   4  -3.104  -5.700   3.037
   43    H    PHE   5           HN       PHE   5  -3.867  -0.428   2.830
   44    HA   PHE   5           HA       PHE   5  -4.805   0.278   0.155
   45   1HB   PHE   5          HB1       PHE   5  -6.181   2.103   1.625
   46   2HB   PHE   5          HB2       PHE   5  -6.872   0.609   1.007
   47    HD1  PHE   5           HD1      PHE   5  -5.672   2.362   3.967
   48    HD2  PHE   5           HD2      PHE   5  -7.335  -1.258   2.471
   49    HE1  PHE   5           HE1      PHE   5  -6.230   1.677   6.256
   50    HE2  PHE   5           HE2      PHE   5  -7.895  -1.949   4.766
   51    HZ   PHE   5           HZ       PHE   5  -7.337  -0.475   6.659
   52    H    ARG   6           HN       ARG   6  -5.135   3.033   0.658
   53    HA   ARG   6           HA       ARG   6  -2.486   3.857   1.632
   54   1HB   ARG   6          HB2       ARG   6  -3.706   4.311  -1.054
   55   2HB   ARG   6          HB1       ARG   6  -2.711   5.587  -0.364
   56   1HG   ARG   6          HG1       ARG   6  -0.815   4.477  -0.754
   57   2HG   ARG   6          HG2       ARG   6  -1.489   2.943  -0.198
   58   1HD   ARG   6          HD1       ARG   6  -1.226   2.427  -2.394
   59   2HD   ARG   6          HD2       ARG   6  -2.833   3.148  -2.478
   60    HE   ARG   6           HE       ARG   6  -1.312   5.275  -2.934
   61   1HH1  ARG   6          HH21      ARG   6  -1.106   2.046  -4.226
   62   2HH1  ARG   6          HH22      ARG   6  -0.422   2.555  -5.735
   63   1HH2  ARG   6          HH11      ARG   6  -0.412   5.954  -4.915
   64   2HH2  ARG   6          HH12      ARG   6  -0.028   4.776  -6.126
   65    H    CYS   7           HN       CYS   7  -2.691   5.323   3.164
   66    HA   CYS   7           HA       CYS   7  -5.158   6.706   3.594
   67   1HB   CYS   7          HB1       CYS   7  -2.975   7.711   5.191
   68   2HB   CYS   7          HB2       CYS   7  -4.415   6.832   5.695
   69    HG   CYS   7           HG       CYS   7  -1.683   5.534   5.091
   70    H    ASP   8           HN       ASP   8  -5.448   8.986   3.605
   71    HA   ASP   8           HA       ASP   8  -4.520  10.266   1.345
   72   1HB   ASP   8          HB1       ASP   8  -6.561  10.791   2.853
   73   2HB   ASP   8          HB2       ASP   8  -5.450  11.833   3.738
   74    H    CYS   9           HN       CYS   9  -3.000  10.039   4.419
   75    HA   CYS   9           HA       CYS   9  -1.311  12.340   4.154
   76   1HB   CYS   9          HB2       CYS   9  -1.030   9.842   5.835
   77   2HB   CYS   9          HB1       CYS   9  -0.005  11.267   5.981
   78    HG   CYS   9           HG       CYS   9  -1.765  12.435   7.258
   79    H    GLY  10           HN       GLY  10  -1.566   9.819   2.223
   80   1HA   GLY  10          HA2       GLY  10  -0.160   9.140   0.492
   81   2HA   GLY  10          HA1       GLY  10   1.166   9.998   1.268
   82    H    ARG  11           HN       ARG  11  -0.359   8.248   3.582
   83    HA   ARG  11           HA       ARG  11   1.791   6.298   3.662
   84   1HB   ARG  11          HB1       ARG  11  -0.447   6.343   5.643
   85   2HB   ARG  11          HB2       ARG  11   1.251   5.963   5.889
   86   1HG   ARG  11          HG1       ARG  11   1.454   8.548   5.185
   87   2HG   ARG  11          HG2       ARG  11  -0.140   8.555   5.942
   88   1HD   ARG  11          HD1       ARG  11   1.002   7.270   7.858
   89   2HD   ARG  11          HD2       ARG  11   2.512   7.832   7.139
   90    HE   ARG  11           HE       ARG  11   0.478   9.830   7.763
   91   1HH1  ARG  11          HH22      ARG  11   3.505   8.304   8.567
   92   2HH1  ARG  11          HH21      ARG  11   4.017   9.583   9.617
   93   1HH2  ARG  11          HH12      ARG  11   1.144  11.517   9.141
   94   2HH2  ARG  11          HH11      ARG  11   2.675  11.409   9.943
   95    H    ALA  12           HN       ALA  12   0.379   4.281   5.058
   96    HA   ALA  12           HA       ALA  12  -1.716   3.274   3.338
   97   1HB   ALA  12          HB1       ALA  12  -0.229   1.066   3.192
   98   2HB   ALA  12          HB2       ALA  12   1.067   2.261   3.210
   99   3HB   ALA  12          HB3       ALA  12  -0.175   2.326   1.960
  100    H    LEU  13           HN       LEU  13  -2.902   1.569   4.324
  101    HA   LEU  13           HA       LEU  13  -1.957   0.697   6.963
  102   1HB   LEU  13          HB1       LEU  13  -4.416   2.280   6.394
  103   2HB   LEU  13          HB2       LEU  13  -4.479   1.067   7.656
  104    HG   LEU  13           HG       LEU  13  -2.352   3.194   7.627
  105   1HD1  LEU  13          HD21      LEU  13  -4.946   3.887   7.673
  106   2HD1  LEU  13          HD22      LEU  13  -3.691   4.749   8.563
  107   3HD1  LEU  13          HD23      LEU  13  -4.691   3.551   9.386
  108   1HD2  LEU  13          HD11      LEU  13  -1.636   1.995   9.355
  109   2HD2  LEU  13          HD12      LEU  13  -3.081   0.983   9.336
  110   3HD2  LEU  13          HD13      LEU  13  -3.085   2.511  10.218
  111    H    TYR  14           HN       TYR  14  -3.724  -0.871   7.930
  112    HA   TYR  14           HA       TYR  14  -4.645  -2.689   5.800
  113   1HB   TYR  14          HB2       TYR  14  -3.984  -4.570   7.384
  114   2HB   TYR  14          HB1       TYR  14  -2.665  -3.717   6.587
  115    HD1  TYR  14           HD1      TYR  14  -1.106  -2.386   7.844
  116    HD2  TYR  14           HD2      TYR  14  -4.406  -4.243   9.783
  117    HE1  TYR  14           HE1      TYR  14  -0.073  -1.927  10.029
  118    HE2  TYR  14           HE2      TYR  14  -3.383  -3.789  11.973
  119    HH   TYR  14           HH       TYR  14  -1.658  -2.911  13.054
  120    H    SER  15           HN       SER  15  -6.541  -3.807   6.198
  121    HA   SER  15           HA       SER  15  -7.837  -3.677   8.780
  122   1HB   SER  15          HB1       SER  15  -8.415  -1.499   7.607
  123   2HB   SER  15          HB2       SER  15  -9.278  -2.467   6.415
  124    HG   SER  15           HG       SER  15 -10.802  -1.989   7.876
  125    H    ARG  16           HN       ARG  16 -10.370  -4.425   8.114
  126    HA   ARG  16           HA       ARG  16  -9.971  -7.143   7.300
  127   1HB   ARG  16          HB2       ARG  16 -12.028  -5.611   8.624
  128   2HB   ARG  16          HB1       ARG  16 -12.728  -6.621   7.366
  129   1HG   ARG  16          HG2       ARG  16 -11.164  -8.445   8.484
  130   2HG   ARG  16          HG1       ARG  16 -11.371  -7.390   9.884
  131   1HD   ARG  16          HD2       ARG  16 -13.411  -8.186  10.237
  132   2HD   ARG  16          HD1       ARG  16 -13.895  -7.771   8.594
  133    HE   ARG  16           HE       ARG  16 -13.626  -9.965   7.993
  134   1HH1  ARG  16          HH11      ARG  16 -12.105  -9.429  11.082
  135   2HH1  ARG  16          HH12      ARG  16 -11.806 -11.110  11.371
  136   1HH2  ARG  16          HH21      ARG  16 -13.235 -12.180   8.365
  137   2HH2  ARG  16          HH22      ARG  16 -12.448 -12.674   9.827
  138    H    GLU  17           HN       GLU  17 -10.735  -8.186   5.485
  139    HA   GLU  17           HA       GLU  17 -10.646  -6.842   3.052
  140   1HB   GLU  17          HB1       GLU  17 -10.612  -9.436   3.760
  141   2HB   GLU  17          HB2       GLU  17 -12.268  -9.325   3.181
  142   1HG   GLU  17          HG2       GLU  17  -9.830  -8.540   1.601
  143   2HG   GLU  17          HG1       GLU  17 -10.689 -10.072   1.454
  144    H    GLY  18           HN       GLY  18 -11.999  -5.234   2.516
  145   1HA   GLY  18          HA2       GLY  18 -14.371  -5.286   1.455
  146   2HA   GLY  18          HA1       GLY  18 -14.857  -5.527   3.126
  147    H    ALA  19           HN       ALA  19 -12.218  -3.629   3.348
  148    HA   ALA  19           HA       ALA  19 -13.780  -1.286   3.902
  149   1HB   ALA  19          HB1       ALA  19 -12.101  -1.071   5.347
  150   2HB   ALA  19          HB2       ALA  19 -11.127  -0.510   3.988
  151   3HB   ALA  19          HB3       ALA  19 -11.090  -2.210   4.457
  152    H    LYS  20           HN       LYS  20 -14.487   0.006   2.343
  153    HA   LYS  20           HA       LYS  20 -13.054   0.195  -0.183
  154   1HB   LYS  20          HB2       LYS  20 -15.726   1.202   0.782
  155   2HB   LYS  20          HB1       LYS  20 -15.041   1.730  -0.748
  156   1HG   LYS  20          HG2       LYS  20 -16.263  -0.001  -1.522
  157   2HG   LYS  20          HG1       LYS  20 -14.811  -0.906  -1.084
  158   1HD   LYS  20          HD1       LYS  20 -15.917  -1.222   1.201
  159   2HD   LYS  20          HD2       LYS  20 -17.402  -0.674   0.420
  160   1HE   LYS  20          HE2       LYS  20 -16.701  -2.510  -1.357
  161   2HE   LYS  20          HE1       LYS  20 -15.863  -3.187   0.038
  162   1HZ   LYS  20          HZ1       LYS  20 -17.803  -4.098   0.564
  163   2HZ   LYS  20          HZ2       LYS  20 -18.654  -3.169  -0.564
  164   3HZ   LYS  20          HZ3       LYS  20 -18.346  -2.552   0.981
  165    H    THR  21           HN       THR  21 -14.110   2.311   2.457
  166    HA   THR  21           HA       THR  21 -11.894   4.108   1.857
  167    HB   THR  21           HB       THR  21 -13.703   6.005   2.347
  168    HG1  THR  21           HG1      THR  21 -15.682   5.509   1.641
  169   1HG2  THR  21          HG21      THR  21 -13.592   4.840  -0.410
  170   2HG2  THR  21          HG22      THR  21 -12.254   5.738   0.303
  171   3HG2  THR  21          HG23      THR  21 -13.814   6.523   0.065
  172    H    ARG  22           HN       ARG  22 -10.810   4.084   3.713
  173    HA   ARG  22           HA       ARG  22 -12.196   3.837   6.250
  174   1HB   ARG  22          HB1       ARG  22  -9.419   3.545   5.288
  175   2HB   ARG  22          HB2       ARG  22  -9.582   4.185   6.917
  176   1HG   ARG  22          HG1       ARG  22 -11.171   1.781   6.234
  177   2HG   ARG  22          HG2       ARG  22  -9.426   1.587   6.413
  178   1HD   ARG  22          HD1       ARG  22 -11.463   2.407   8.438
  179   2HD   ARG  22          HD2       ARG  22 -10.187   1.198   8.561
  180    HE   ARG  22           HE       ARG  22  -9.977   4.008   9.127
  181   1HH1  ARG  22          HH11      ARG  22  -8.231   1.123   8.249
  182   2HH1  ARG  22          HH12      ARG  22  -6.719   1.693   8.873
  183   1HH2  ARG  22          HH22      ARG  22  -7.992   4.767   9.950
  184   2HH2  ARG  22          HH21      ARG  22  -6.582   3.765   9.840
  185    H    LYS  23           HN       LYS  23 -10.374   5.337   7.852
  186    HA   LYS  23           HA       LYS  23 -10.555   8.080   6.913
  187   1HB   LYS  23          HB1       LYS  23 -12.757   7.554   7.992
  188   2HB   LYS  23          HB2       LYS  23 -11.893   7.257   9.495
  189   1HG   LYS  23          HG2       LYS  23 -11.080   9.575   9.468
  190   2HG   LYS  23          HG1       LYS  23 -12.003   9.863   7.991
  191   1HD   LYS  23          HD1       LYS  23 -13.676   8.691  10.021
  192   2HD   LYS  23          HD2       LYS  23 -12.889  10.149  10.628
  193   1HE   LYS  23          HE2       LYS  23 -15.045  10.655   9.589
  194   2HE   LYS  23          HE1       LYS  23 -13.710  11.412   8.721
  195   1HZ   LYS  23          HZ1       LYS  23 -15.626  10.026   7.524
  196   2HZ   LYS  23          HZ2       LYS  23 -14.512   8.779   7.786
  197   3HZ   LYS  23          HZ3       LYS  23 -14.056  10.150   6.906
  198    H    CYS  24           HN       CYS  24  -9.192   9.500   7.971
  199    HA   CYS  24           HA       CYS  24  -7.164   8.222   9.654
  200   1HB   CYS  24          HB2       CYS  24  -6.931   9.892   7.457
  201   2HB   CYS  24          HB1       CYS  24  -6.628  10.971   8.816
  202    HG   CYS  24           HG       CYS  24  -4.692   8.969   7.736
  203    H    VAL  25           HN       VAL  25  -7.064   8.640  11.755
  204    HA   VAL  25           HA       VAL  25  -8.961  10.323  13.024
  205    HB   VAL  25           HB       VAL  25  -6.500   9.388  14.443
  206   1HG1  VAL  25          HG11      VAL  25  -7.703   9.946  16.223
  207   2HG1  VAL  25          HG12      VAL  25  -8.963   8.807  15.748
  208   3HG1  VAL  25          HG13      VAL  25  -9.012  10.471  15.164
  209   1HG2  VAL  25          HG21      VAL  25  -6.887   7.209  14.159
  210   2HG2  VAL  25          HG22      VAL  25  -7.919   7.674  12.806
  211   3HG2  VAL  25          HG23      VAL  25  -8.623   7.407  14.402
  212    H    CYS  26           HN       CYS  26  -5.780  10.831  11.808
  213    HA   CYS  26           HA       CYS  26  -5.069  13.066  13.413
  214   1HB   CYS  26          HB2       CYS  26  -3.517  11.629  11.987
  215   2HB   CYS  26          HB1       CYS  26  -4.107  12.540  10.601
  216    HG   CYS  26           HG       CYS  26  -2.782  14.524  11.299
  217    H    GLY  27           HN       GLY  27  -7.228  12.639  10.793
  218   1HA   GLY  27          HA1       GLY  27  -8.842  14.518  10.570
  219   2HA   GLY  27          HA2       GLY  27  -7.438  15.571  10.484
  220    H    ARG  28           HN       ARG  28  -8.671  12.641   8.865
  221    HA   ARG  28           HA       ARG  28  -8.815  13.854   6.314
  222   1HB   ARG  28          HB2       ARG  28  -6.254  12.686   7.104
  223   2HB   ARG  28          HB1       ARG  28  -6.895  11.987   5.624
  224   1HG   ARG  28          HG1       ARG  28  -6.858  14.027   4.499
  225   2HG   ARG  28          HG2       ARG  28  -6.743  14.950   6.000
  226   1HD   ARG  28          HD1       ARG  28  -4.585  13.066   5.085
  227   2HD   ARG  28          HD2       ARG  28  -4.626  14.762   4.607
  228    HE   ARG  28           HE       ARG  28  -4.619  14.032   7.451
  229   1HH1  ARG  28          HH11      ARG  28  -3.126  15.596   4.716
  230   2HH1  ARG  28          HH12      ARG  28  -1.951  16.434   5.674
  231   1HH2  ARG  28          HH21      ARG  28  -3.077  15.133   8.717
  232   2HH2  ARG  28          HH22      ARG  28  -1.923  16.172   7.948
  233    H    THR  29           HN       THR  29  -8.373  11.634   4.688
  234    HA   THR  29           HA       THR  29 -10.045   9.505   5.811
  235    HB   THR  29           HB       THR  29 -10.566  10.933   3.194
  236    HG1  THR  29           HG1      THR  29 -12.013  10.735   5.617
  237   1HG2  THR  29          HG21      THR  29 -12.435   8.883   4.204
  238   2HG2  THR  29          HG22      THR  29 -10.960   8.324   3.414
  239   3HG2  THR  29          HG23      THR  29 -12.075   9.384   2.552
  240    H    VAL  30           HN       VAL  30  -9.483   7.487   5.155
  241    HA   VAL  30           HA       VAL  30  -7.114   7.284   3.458
  242    HB   VAL  30           HB       VAL  30  -8.437   5.175   5.163
  243   1HG1  VAL  30          HG21      VAL  30  -7.190   3.785   3.935
  244   2HG1  VAL  30          HG22      VAL  30  -5.812   4.462   4.802
  245   3HG1  VAL  30          HG23      VAL  30  -6.264   5.106   3.224
  246   1HG2  VAL  30          HG11      VAL  30  -6.280   5.585   6.530
  247   2HG2  VAL  30          HG12      VAL  30  -7.627   6.711   6.699
  248   3HG2  VAL  30          HG13      VAL  30  -6.243   7.137   5.693
  249    H    ASN  31           HN       ASN  31  -7.441   6.985   1.367
  250    HA   ASN  31           HA       ASN  31  -9.827   5.555   0.451
  251   1HB   ASN  31          HB2       ASN  31  -8.588   7.844  -0.482
  252   2HB   ASN  31          HB1       ASN  31  -8.054   6.611  -1.621
  253   1HD2  ASN  31          HD21      ASN  31  -9.903   5.112  -2.323
  254   2HD2  ASN  31          HD22      ASN  31 -11.370   5.905  -2.776
  255    H    VAL  32           HN       VAL  32  -9.675   3.448   0.015
  256    HA   VAL  32           HA       VAL  32  -7.186   2.090  -0.104
  257    HB   VAL  32           HB       VAL  32  -8.361   0.094  -0.403
  258   1HG1  VAL  32          HG11      VAL  32 -10.654   1.012   0.968
  259   2HG1  VAL  32          HG12      VAL  32  -9.299   2.022   1.468
  260   3HG1  VAL  32          HG13      VAL  32  -9.202   0.269   1.638
  261   1HG2  VAL  32          HG21      VAL  32 -10.913   0.264  -0.966
  262   2HG2  VAL  32          HG22      VAL  32  -9.705   0.249  -2.251
  263   3HG2  VAL  32          HG23      VAL  32 -10.426   1.776  -1.737
  264    H    LYS  33           HN       LYS  33  -7.398   0.297  -2.202
  265    HA   LYS  33           HA       LYS  33  -6.145   1.665  -4.280
  266   1HB   LYS  33          HB2       LYS  33  -6.831  -1.019  -3.684
  267   2HB   LYS  33          HB1       LYS  33  -7.416  -0.691  -5.309
  268   1HG   LYS  33          HG1       LYS  33  -4.817   0.395  -5.124
  269   2HG   LYS  33          HG2       LYS  33  -4.765  -1.233  -4.441
  270   1HD   LYS  33          HD1       LYS  33  -6.286  -1.626  -6.664
  271   2HD   LYS  33          HD2       LYS  33  -5.184  -0.360  -7.211
  272   1HE   LYS  33          HE1       LYS  33  -3.274  -1.697  -6.607
  273   2HE   LYS  33          HE2       LYS  33  -4.315  -2.928  -5.894
  274   1HZ   LYS  33          HZ1       LYS  33  -3.404  -2.859  -8.476
  275   2HZ   LYS  33          HZ2       LYS  33  -5.024  -2.389  -8.601
  276   3HZ   LYS  33          HZ3       LYS  33  -4.623  -3.861  -7.869
  277    H    ASP  34           HN       ASP  34  -7.067   1.252  -6.674
  278    HA   ASP  34           HA       ASP  34  -9.475   2.876  -6.795
  279   1HB   ASP  34          HB2       ASP  34  -7.660   1.889  -9.010
  280   2HB   ASP  34          HB1       ASP  34  -8.982   3.036  -9.206
  281    H    ARG  35           HN       ARG  35  -8.323  -0.261  -7.979
  282    HA   ARG  35           HA       ARG  35 -10.987  -0.990  -8.870
  283   1HB   ARG  35          HB1       ARG  35  -9.707  -3.267  -9.221
  284   2HB   ARG  35          HB2       ARG  35  -9.480  -1.924 -10.332
  285   1HG   ARG  35          HG2       ARG  35  -7.365  -1.451  -9.541
  286   2HG   ARG  35          HG1       ARG  35  -7.655  -2.242  -7.991
  287   1HD   ARG  35          HD2       ARG  35  -6.158  -3.599  -9.297
  288   2HD   ARG  35          HD1       ARG  35  -7.712  -4.422  -9.161
  289    HE   ARG  35           HE       ARG  35  -7.967  -4.242 -11.428
  290   1HH1  ARG  35          HH21      ARG  35  -5.430  -2.090 -10.394
  291   2HH1  ARG  35          HH22      ARG  35  -4.937  -1.689 -12.005
  292   1HH2  ARG  35          HH11      ARG  35  -7.325  -3.719 -13.553
  293   2HH2  ARG  35          HH12      ARG  35  -6.013  -2.614 -13.800
  294    H    ARG  36           HN       ARG  36  -9.226  -3.578  -7.489
  295    HA   ARG  36           HA       ARG  36 -11.293  -4.041  -5.551
  296   1HB   ARG  36          HB2       ARG  36  -8.684  -5.514  -5.972
  297   2HB   ARG  36          HB1       ARG  36 -10.044  -6.076  -5.010
  298   1HG   ARG  36          HG1       ARG  36 -10.471  -5.427  -7.885
  299   2HG   ARG  36          HG2       ARG  36  -9.683  -6.943  -7.443
  300   1HD   ARG  36          HD2       ARG  36 -11.718  -7.122  -5.779
  301   2HD   ARG  36          HD1       ARG  36 -12.473  -6.030  -6.941
  302    HE   ARG  36           HE       ARG  36 -12.307  -7.721  -8.590
  303   1HH1  ARG  36          HH22      ARG  36 -11.260  -8.753  -5.430
  304   2HH1  ARG  36          HH21      ARG  36 -11.386 -10.441  -5.799
  305   1HH2  ARG  36          HH12      ARG  36 -12.476  -9.939  -9.084
  306   2HH2  ARG  36          HH11      ARG  36 -12.078 -11.115  -7.876
  307    H    ILE  37           HN       ILE  37  -7.986  -4.661  -4.652
  308    HA   ILE  37           HA       ILE  37  -7.852  -2.432  -2.805
  309    HB   ILE  37           HB       ILE  37  -8.754  -5.055  -1.957
  310   1HG1  ILE  37          HG12      ILE  37  -9.623  -2.669  -1.461
  311   2HG1  ILE  37          HG11      ILE  37  -9.661  -3.860  -0.165
  312   1HG2  ILE  37          HG21      ILE  37  -7.373  -5.382  -0.020
  313   2HG2  ILE  37          HG22      ILE  37  -6.420  -3.947  -0.401
  314   3HG2  ILE  37          HG23      ILE  37  -6.346  -5.362  -1.453
  315   1HD1  ILE  37          HD11      ILE  37  -7.899  -2.858   0.968
  316   2HD1  ILE  37          HD12      ILE  37  -8.851  -1.497   0.372
  317   3HD1  ILE  37          HD13      ILE  37  -7.366  -1.965  -0.456
  318    H    PHE  38           HN       PHE  38  -5.769  -2.281  -1.737
  319    HA   PHE  38           HA       PHE  38  -3.644  -3.407  -3.386
  320   1HB   PHE  38          HB1       PHE  38  -3.850  -0.919  -2.678
  321   2HB   PHE  38          HB2       PHE  38  -3.242  -1.469  -1.119
  322    HD1  PHE  38           HD1      PHE  38  -1.040  -2.857  -1.189
  323    HD2  PHE  38           HD2      PHE  38  -2.354  -0.282  -4.311
  324    HE1  PHE  38           HE1      PHE  38   1.266  -2.701  -2.025
  325    HE2  PHE  38           HE2      PHE  38  -0.046  -0.122  -5.153
  326    HZ   PHE  38           HZ       PHE  38   1.767  -1.332  -4.005
  327    H    GLY  39           HN       GLY  39  -1.952  -4.629  -2.558
  328   1HA   GLY  39          HA1       GLY  39  -1.148  -6.400  -1.322
  329   2HA   GLY  39          HA2       GLY  39  -1.237  -5.225  -0.021
  330    H    ARG  40           HN       ARG  40  -2.633  -8.065  -1.416
  331    HA   ARG  40           HA       ARG  40  -4.802  -8.090   0.537
  332   1HB   ARG  40          HB1       ARG  40  -4.662  -9.033  -2.042
  333   2HB   ARG  40          HB2       ARG  40  -4.441 -10.496  -1.094
  334   1HG   ARG  40          HG1       ARG  40  -6.658  -8.624  -0.415
  335   2HG   ARG  40          HG2       ARG  40  -6.829  -9.731  -1.781
  336   1HD   ARG  40          HD1       ARG  40  -5.996 -10.668   0.950
  337   2HD   ARG  40          HD2       ARG  40  -7.691 -10.522   0.486
  338    HE   ARG  40           HE       ARG  40  -6.600 -12.021  -1.499
  339   1HH1  ARG  40          HH12      ARG  40  -6.677 -12.279   1.975
  340   2HH1  ARG  40          HH11      ARG  40  -6.615 -14.009   1.976
  341   1HH2  ARG  40          HH21      ARG  40  -6.519 -14.303  -1.505
  342   2HH2  ARG  40          HH22      ARG  40  -6.526 -15.159   0.001
  343    H    ALA  41           HN       ALA  41  -3.680  -8.322   2.440
  344    HA   ALA  41           HA       ALA  41  -1.872 -10.588   2.750
  345   1HB   ALA  41          HB1       ALA  41  -1.046  -8.570   3.674
  346   2HB   ALA  41          HB2       ALA  41  -1.515  -9.592   5.036
  347   3HB   ALA  41          HB3       ALA  41  -2.558  -8.257   4.529
  348    H    ASP  42           HN       ASP  42  -2.539 -12.480   3.502
  349    HA   ASP  42           HA       ASP  42  -5.188 -12.773   4.609
  350   1HB   ASP  42          HB2       ASP  42  -3.845 -15.206   4.899
  351   2HB   ASP  42          HB1       ASP  42  -4.938 -14.758   3.594
  352    H    ASP  43           HN       ASP  43  -1.852 -12.995   5.706
  353    HA   ASP  43           HA       ASP  43  -2.673 -13.629   8.427
  354   1HB   ASP  43          HB1       ASP  43  -0.189 -13.768   6.882
  355   2HB   ASP  43          HB2       ASP  43   0.044 -13.126   8.505
  356    H    PHE  44           HN       PHE  44  -2.918 -12.149   9.995
  357    HA   PHE  44           HA       PHE  44  -2.994  -9.413   9.487
  358   1HB   PHE  44          HB2       PHE  44  -2.801  -9.267  12.086
  359   2HB   PHE  44          HB1       PHE  44  -4.210 -10.036  11.364
  360    HD1  PHE  44           HD1      PHE  44  -0.999 -10.662  13.056
  361    HD2  PHE  44           HD2      PHE  44  -4.682 -12.321  11.720
  362    HE1  PHE  44           HE1      PHE  44  -0.552 -12.699  14.365
  363    HE2  PHE  44           HE2      PHE  44  -4.244 -14.360  13.026
  364    HZ   PHE  44           HZ       PHE  44  -2.176 -14.552  14.351
  365    H    GLU  45           HN       GLU  45  -0.392 -11.436  10.711
  366    HA   GLU  45           HA       GLU  45   1.377  -9.328  11.410
  367   1HB   GLU  45          HB1       GLU  45   1.385 -12.163  11.500
  368   2HB   GLU  45          HB2       GLU  45   2.813 -11.675  10.596
  369   1HG   GLU  45          HG2       GLU  45   2.278 -10.215  13.105
  370   2HG   GLU  45          HG1       GLU  45   2.762 -11.903  13.256
  371    H    GLU  46           HN       GLU  46   0.799 -11.166   8.466
  372    HA   GLU  46           HA       GLU  46   3.016 -10.175   7.008
  373   1HB   GLU  46          HB1       GLU  46   0.574 -11.719   6.422
  374   2HB   GLU  46          HB2       GLU  46   1.191 -10.773   5.074
  375   1HG   GLU  46          HG1       GLU  46   3.222 -11.928   5.042
  376   2HG   GLU  46          HG2       GLU  46   2.970 -12.592   6.657
  377    H    ALA  47           HN       ALA  47  -0.156  -8.948   7.699
  378    HA   ALA  47           HA       ALA  47  -0.413  -7.034   5.665
  379   1HB   ALA  47          HB1       ALA  47  -2.369  -7.275   6.821
  380   2HB   ALA  47          HB2       ALA  47  -1.745  -5.818   7.595
  381   3HB   ALA  47          HB3       ALA  47  -1.561  -7.384   8.385
  382    H    SER  48           HN       SER  48   1.133  -6.881   8.842
  383    HA   SER  48           HA       SER  48   1.777  -4.161   8.855
  384   1HB   SER  48          HB2       SER  48   2.125  -6.267  10.590
  385   2HB   SER  48          HB1       SER  48   3.782  -5.895  10.116
  386    HG   SER  48           HG       SER  48   3.368  -4.566  11.798
  387    H    GLU  49           HN       GLU  49   3.739  -6.946   7.799
  388    HA   GLU  49           HA       GLU  49   5.963  -5.407   7.015
  389   1HB   GLU  49          HB1       GLU  49   6.857  -7.404   6.209
  390   2HB   GLU  49          HB2       GLU  49   5.804  -7.920   7.510
  391   1HG   GLU  49          HG2       GLU  49   4.363  -8.971   6.116
  392   2HG   GLU  49          HG1       GLU  49   4.641  -7.839   4.793
  393    H    LEU  50           HN       LEU  50   3.050  -6.382   5.352
  394    HA   LEU  50           HA       LEU  50   3.906  -5.822   2.720
  395   1HB   LEU  50          HB1       LEU  50   1.500  -6.643   4.021
  396   2HB   LEU  50          HB2       LEU  50   1.120  -5.317   2.941
  397    HG   LEU  50           HG       LEU  50   2.406  -6.661   1.154
  398   1HD1  LEU  50          HD21      LEU  50   3.343  -8.564   1.795
  399   2HD1  LEU  50          HD22      LEU  50   1.735  -9.207   2.131
  400   3HD1  LEU  50          HD23      LEU  50   2.649  -8.406   3.410
  401   1HD2  LEU  50          HD11      LEU  50  -0.073  -8.084   1.982
  402   2HD2  LEU  50          HD12      LEU  50   0.424  -7.510   0.390
  403   3HD2  LEU  50          HD13      LEU  50  -0.170  -6.366   1.594
  404    H    VAL  51           HN       VAL  51   2.045  -3.884   5.048
  405    HA   VAL  51           HA       VAL  51   1.786  -1.597   3.440
  406    HB   VAL  51           HB       VAL  51   1.906  -1.732   6.461
  407   1HG1  VAL  51          HG21      VAL  51   1.264   0.418   4.531
  408   2HG1  VAL  51          HG22      VAL  51   1.977   0.512   6.142
  409   3HG1  VAL  51          HG23      VAL  51   0.237   0.288   5.959
  410   1HG2  VAL  51          HG11      VAL  51  -0.400  -2.123   6.494
  411   2HG2  VAL  51          HG12      VAL  51   0.207  -3.208   5.244
  412   3HG2  VAL  51          HG13      VAL  51  -0.588  -1.701   4.793
  413    H    ARG  52           HN       ARG  52   4.430  -2.789   5.369
  414    HA   ARG  52           HA       ARG  52   5.876  -0.377   5.661
  415   1HB   ARG  52          HB1       ARG  52   6.226  -3.026   6.438
  416   2HB   ARG  52          HB2       ARG  52   7.554  -2.741   5.323
  417   1HG   ARG  52          HG1       ARG  52   7.493  -0.492   6.970
  418   2HG   ARG  52          HG2       ARG  52   7.223  -1.868   8.041
  419   1HD   ARG  52          HD2       ARG  52   9.283  -2.754   7.656
  420   2HD   ARG  52          HD1       ARG  52   9.363  -2.129   6.010
  421    HE   ARG  52           HE       ARG  52   9.578  -0.226   8.216
  422   1HH1  ARG  52          HH22      ARG  52  11.111  -2.011   5.645
  423   2HH1  ARG  52          HH21      ARG  52  12.530  -1.019   5.629
  424   1HH2  ARG  52          HH12      ARG  52  11.444   1.085   8.201
  425   2HH2  ARG  52          HH11      ARG  52  12.720   0.741   7.082
  426    H    LYS  53           HN       LYS  53   5.904  -2.903   3.170
  427    HA   LYS  53           HA       LYS  53   7.905  -1.676   1.557
  428   1HB   LYS  53          HB2       LYS  53   7.018  -4.101   1.448
  429   2HB   LYS  53          HB1       LYS  53   5.698  -3.434   0.499
  430   1HG   LYS  53          HG1       LYS  53   7.530  -2.441  -0.993
  431   2HG   LYS  53          HG2       LYS  53   8.611  -3.572  -0.177
  432   1HD   LYS  53          HD1       LYS  53   7.884  -5.260  -1.428
  433   2HD   LYS  53          HD2       LYS  53   6.207  -4.914  -1.001
  434   1HE   LYS  53          HE2       LYS  53   6.675  -2.919  -2.750
  435   2HE   LYS  53          HE1       LYS  53   7.754  -4.157  -3.395
  436   1HZ   LYS  53          HZ1       LYS  53   6.005  -5.578  -3.829
  437   2HZ   LYS  53          HZ2       LYS  53   5.337  -4.071  -4.212
  438   3HZ   LYS  53          HZ3       LYS  53   4.957  -4.816  -2.740
  439    H    LEU  54           HN       LEU  54   4.478  -1.349   1.963
  440    HA   LEU  54           HA       LEU  54   3.887   0.183  -0.348
  441   1HB   LEU  54          HB1       LEU  54   2.588  -0.486   2.215
  442   2HB   LEU  54          HB2       LEU  54   2.074   1.026   1.499
  443    HG   LEU  54           HG       LEU  54   1.914  -0.701  -0.616
  444   1HD1  LEU  54          HD21      LEU  54   0.381  -2.392   1.002
  445   2HD1  LEU  54          HD22      LEU  54   1.994  -2.316   1.705
  446   3HD1  LEU  54          HD23      LEU  54   1.787  -2.794   0.022
  447   1HD2  LEU  54          HD11      LEU  54   0.301   1.007   0.037
  448   2HD2  LEU  54          HD12      LEU  54  -0.251  -0.038   1.346
  449   3HD2  LEU  54          HD13      LEU  54  -0.473  -0.534  -0.332
  450    H    GLN  55           HN       GLN  55   5.220   0.893   2.786
  451    HA   GLN  55           HA       GLN  55   4.788   3.679   2.807
  452   1HB   GLN  55          HB1       GLN  55   6.657   1.846   4.263
  453   2HB   GLN  55          HB2       GLN  55   6.814   3.587   4.435
  454   1HG   GLN  55          HG1       GLN  55   4.706   3.793   5.430
  455   2HG   GLN  55          HG2       GLN  55   4.207   2.185   4.906
  456   1HE2  GLN  55          HE22      GLN  55   7.099   3.393   6.565
  457   2HE2  GLN  55          HE21      GLN  55   6.966   2.341   7.929
  458    H    GLU  56           HN       GLU  56   6.951   5.073   3.137
  459    HA   GLU  56           HA       GLU  56   8.124   5.210   0.514
  460   1HB   GLU  56          HB2       GLU  56   7.989   6.919   2.908
  461   2HB   GLU  56          HB1       GLU  56   9.493   7.044   2.005
  462   1HG   GLU  56          HG2       GLU  56   6.729   7.444   0.885
  463   2HG   GLU  56          HG1       GLU  56   7.875   8.718   1.297
  464    H    GLU  57           HN       GLU  57   9.479   3.491   0.188
  465    HA   GLU  57           HA       GLU  57  11.390   2.647   2.143
  466   1HB   GLU  57          HB1       GLU  57  10.270   1.450  -0.016
  467   2HB   GLU  57          HB2       GLU  57  11.832   1.903  -0.683
  468   1HG   GLU  57          HG2       GLU  57  12.165  -0.246   0.125
  469   2HG   GLU  57          HG1       GLU  57  12.835   0.790   1.386
  470    H    LYS  58           HN       LYS  58  13.732   2.605   1.749
  471    HA   LYS  58           HA       LYS  58  14.670   5.215   1.038
  472   1HB   LYS  58          HB2       LYS  58  15.511   3.688   2.941
  473   2HB   LYS  58          HB1       LYS  58  16.430   2.866   1.688
  474   1HG   LYS  58          HG2       LYS  58  17.702   4.803   1.219
  475   2HG   LYS  58          HG1       LYS  58  16.628   5.823   2.178
  476   1HD   LYS  58          HD1       LYS  58  17.904   5.471   3.962
  477   2HD   LYS  58          HD2       LYS  58  17.552   3.744   3.862
  478   1HE   LYS  58          HE1       LYS  58  19.977   4.266   3.850
  479   2HE   LYS  58          HE2       LYS  58  19.436   3.383   2.423
  480   1HZ   LYS  58          HZ1       LYS  58  19.590   6.324   2.378
  481   2HZ   LYS  58          HZ2       LYS  58  19.661   5.234   1.087
  482   3HZ   LYS  58          HZ3       LYS  58  20.982   5.397   2.130
  483    H    TYR  59           HN       TYR  59  15.988   5.801  -0.654
  484    HA   TYR  59           HA       TYR  59  15.921   4.025  -2.955
  485   1HB   TYR  59          HB1       TYR  59  15.833   6.841  -2.570
  486   2HB   TYR  59          HB2       TYR  59  17.269   6.482  -3.523
  487    HD1  TYR  59           HD1      TYR  59  16.937   4.960  -5.592
  488    HD2  TYR  59           HD2      TYR  59  13.757   6.977  -3.612
  489    HE1  TYR  59           HE1      TYR  59  15.550   4.744  -7.612
  490    HE2  TYR  59           HE2      TYR  59  12.363   6.766  -5.626
  491    HH   TYR  59           HH       TYR  59  12.400   4.980  -7.715
  492    H    GLY  60           HN       GLY  60  18.034   4.466  -4.428
  493   1HA   GLY  60          HA2       GLY  60  20.552   4.812  -3.541
  494   2HA   GLY  60          HA1       GLY  60  20.172   3.209  -2.933
  495    H    SER  61           HN       SER  61  18.532   3.877  -5.800
  496    HA   SER  61           HA       SER  61  20.262   2.050  -7.255
  497   1HB   SER  61          HB2       SER  61  17.482   3.084  -7.602
  498   2HB   SER  61          HB1       SER  61  18.341   2.518  -9.035
  499    HG   SER  61           HG       SER  61  17.096   0.888  -7.896
  500    H    CYS  62           HN       CYS  62  18.602   5.052  -8.232
  501    HA   CYS  62           HA       CYS  62  21.108   5.969  -9.458
  502   1HB   CYS  62          HB2       CYS  62  18.649   6.613 -10.961
  503   2HB   CYS  62          HB1       CYS  62  20.247   6.171 -11.551
  504    HG   CYS  62           HG       CYS  62  19.609   3.749 -11.555
  505    H    HIS  63           HN       HIS  63  21.172   8.280  -9.870
  506    HA   HIS  63           HA       HIS  63  19.355   9.779  -8.099
  507   1HB   HIS  63          HB1       HIS  63  22.011   9.488  -7.679
  508   2HB   HIS  63          HB2       HIS  63  22.019  10.930  -8.689
  509    HD2  HIS  63           HD2      HIS  63  20.203   9.803  -5.363
  510    HE1  HIS  63           HE1      HIS  63  20.964  13.967  -5.295
  511    HE2  HIS  63           HE2      HIS  63  20.040  11.998  -3.989
  512    H    PHE  64           HN       PHE  64  21.806  10.916 -10.390
  513    HA   PHE  64           HA       PHE  64  20.077  12.899 -11.454
  514   1HB   PHE  64          HB1       PHE  64  22.807  11.880 -12.186
  515   2HB   PHE  64          HB2       PHE  64  21.970  13.017 -13.239
  516    HD1  PHE  64           HD1      PHE  64  21.040  15.159 -12.050
  517    HD2  PHE  64           HD2      PHE  64  24.155  12.700 -10.513
  518    HE1  PHE  64           HE1      PHE  64  21.829  17.033 -10.664
  519    HE2  PHE  64           HE2      PHE  64  24.949  14.569  -9.123
  520    HZ   PHE  64           HZ       PHE  64  23.786  16.739  -9.198
  521    H    THR  65           HN       THR  65  19.122  13.047 -13.494
  522    HA   THR  65           HA       THR  65  18.455  10.456 -14.673
  523    HB   THR  65           HB       THR  65  16.744  11.924 -15.936
  524    HG1  THR  65           HG1      THR  65  16.280  13.876 -14.815
  525   1HG2  THR  65          HG21      THR  65  15.849  10.554 -14.275
  526   2HG2  THR  65          HG22      THR  65  15.292  12.178 -13.875
  527   3HG2  THR  65          HG23      THR  65  16.632  11.462 -12.982
  528    H    ASN  66           HN       ASN  66  18.257  10.313 -17.046
  529    HA   ASN  66           HA       ASN  66  20.662  11.289 -18.292
  530   1HB   ASN  66          HB2       ASN  66  18.663   9.224 -18.823
  531   2HB   ASN  66          HB1       ASN  66  19.165  10.071 -20.283
  532   1HD2  ASN  66          HD21      ASN  66  20.439   8.437 -17.423
  533   2HD2  ASN  66          HD22      ASN  66  21.851   7.807 -18.195
  534    HA   PRO  67           HA       PRO  67  19.186  14.943 -20.265
  535   1HB   PRO  67          HB2       PRO  67  20.516  13.950 -22.731
  536   2HB   PRO  67          HB1       PRO  67  20.726  15.482 -21.877
  537   1HG   PRO  67          HG2       PRO  67  22.577  13.573 -21.719
  538   2HG   PRO  67          HG1       PRO  67  22.160  14.558 -20.304
  539   1HD   PRO  67          HD2       PRO  67  21.370  11.750 -20.962
  540   2HD   PRO  67          HD1       PRO  67  21.797  12.463 -19.394
  541    H    SER  68           HN       SER  68  18.983  11.976 -22.214
  542    HA   SER  68           HA       SER  68  16.768  13.003 -23.759
  543   1HB   SER  68          HB1       SER  68  16.867  10.336 -24.349
  544   2HB   SER  68          HB2       SER  68  17.821  11.573 -25.167
  545    HG   SER  68           HG       SER  68  18.834  10.486 -22.803
  546    H    LYS  69           HN       LYS  69  17.092  11.639 -20.738
  547    HA   LYS  69           HA       LYS  69  14.587  10.170 -20.771
  548   1HB   LYS  69          HB1       LYS  69  16.667   9.467 -19.475
  549   2HB   LYS  69          HB2       LYS  69  16.300  10.780 -18.365
  550   1HG   LYS  69          HG1       LYS  69  14.115   9.757 -17.904
  551   2HG   LYS  69          HG2       LYS  69  14.533   8.422 -18.980
  552   1HD   LYS  69          HD2       LYS  69  16.628   8.861 -17.058
  553   2HD   LYS  69          HD1       LYS  69  15.080   8.636 -16.243
  554   1HE   LYS  69          HE1       LYS  69  15.999   6.480 -16.468
  555   2HE   LYS  69          HE2       LYS  69  14.753   6.602 -17.711
  556   1HZ   LYS  69          HZ1       LYS  69  17.689   6.759 -18.062
  557   2HZ   LYS  69          HZ2       LYS  69  16.603   7.242 -19.266
  558   3HZ   LYS  69          HZ3       LYS  69  16.619   5.635 -18.734
  559    H    ARG  70           HN       ARG  70  12.865  11.498 -20.919
  560    HA   ARG  70           HA       ARG  70  12.748  13.987 -19.455
  561   1HB   ARG  70          HB1       ARG  70  10.513  12.658 -20.988
  562   2HB   ARG  70          HB2       ARG  70  10.659  14.358 -20.564
  563   1HG   ARG  70          HG2       ARG  70  12.930  13.962 -22.008
  564   2HG   ARG  70          HG1       ARG  70  11.799  12.868 -22.809
  565   1HD   ARG  70          HD2       ARG  70  10.617  14.552 -23.691
  566   2HD   ARG  70          HD1       ARG  70  10.655  15.482 -22.194
  567    HE   ARG  70           HE       ARG  70  12.840  15.451 -24.173
  568   1HH1  ARG  70          HH11      ARG  70  10.921  17.056 -21.747
  569   2HH1  ARG  70          HH12      ARG  70  11.744  18.571 -21.914
  570   1HH2  ARG  70          HH21      ARG  70  13.929  17.440 -24.399
  571   2HH2  ARG  70          HH22      ARG  70  13.456  18.789 -23.422
  572    H    GLU  71           HN       GLU  71  11.733  14.358 -17.574
  573    HA   GLU  71           HA       GLU  71  10.653  12.064 -16.144
  574   1HB   GLU  71          HB1       GLU  71  12.311  13.580 -15.068
  575   2HB   GLU  71          HB2       GLU  71  11.133  14.883 -15.159
  576   1HG   GLU  71          HG2       GLU  71   9.666  13.764 -13.653
  577   2HG   GLU  71          HG1       GLU  71  10.651  12.302 -13.696
  Start of MODEL   19
    1   1H    MET   1          HT1       MET   1  -9.692 -12.393   6.654
    2   2H    MET   1          HT2       MET   1  -8.458 -12.864   7.748
    3   3H    MET   1          HT3       MET   1  -8.885 -13.893   6.444
    4    HA   MET   1           HA       MET   1  -6.809 -12.646   6.149
    5   1HB   MET   1          HB2       MET   1  -7.392 -12.034   3.815
    6   2HB   MET   1          HB1       MET   1  -8.018 -13.610   4.282
    7   1HG   MET   1          HG2       MET   1 -10.140 -12.986   3.999
    8   2HG   MET   1          HG1       MET   1  -9.883 -11.418   4.763
    9   1HE   MET   1          HE1       MET   1 -10.835 -12.023   0.548
   10   2HE   MET   1          HE2       MET   1 -11.432 -12.710   2.059
   11   3HE   MET   1          HE3       MET   1  -9.986 -13.375   1.298
   12    H    TYR   2           HN       TYR   2  -6.166 -10.536   4.957
   13    HA   TYR   2           HA       TYR   2  -7.612  -8.238   6.069
   14   1HB   TYR   2          HB2       TYR   2  -4.705  -8.906   6.432
   15   2HB   TYR   2          HB1       TYR   2  -5.251  -7.233   6.469
   16    HD1  TYR   2           HD1      TYR   2  -4.213  -9.614   8.563
   17    HD2  TYR   2           HD2      TYR   2  -7.691  -7.239   7.956
   18    HE1  TYR   2           HE1      TYR   2  -4.791  -9.863  10.939
   19    HE2  TYR   2           HE2      TYR   2  -8.278  -7.481  10.331
   20    HH   TYR   2           HH       TYR   2  -7.312  -9.679  12.250
   21    H    ILE   3           HN       ILE   3  -7.002  -6.187   5.073
   22    HA   ILE   3           HA       ILE   3  -5.981  -6.470   2.326
   23    HB   ILE   3           HB       ILE   3  -7.623  -4.666   1.687
   24   1HG1  ILE   3          HG12      ILE   3  -9.350  -5.450   3.973
   25   2HG1  ILE   3          HG11      ILE   3  -8.031  -4.336   4.323
   26   1HG2  ILE   3          HG21      ILE   3  -7.881  -7.225   1.378
   27   2HG2  ILE   3          HG22      ILE   3  -9.270  -6.171   1.098
   28   3HG2  ILE   3          HG23      ILE   3  -9.135  -7.073   2.610
   29   1HD1  ILE   3          HD11      ILE   3  -9.795  -3.759   2.007
   30   2HD1  ILE   3          HD12      ILE   3  -8.941  -2.654   3.086
   31   3HD1  ILE   3          HD13      ILE   3 -10.404  -3.470   3.638
   32    H    ILE   4           HN       ILE   4  -4.900  -4.613   1.491
   33    HA   ILE   4           HA       ILE   4  -4.141  -2.659   3.564
   34    HB   ILE   4           HB       ILE   4  -2.507  -4.042   1.479
   35   1HG1  ILE   4          HG11      ILE   4  -0.906  -3.608   3.620
   36   2HG1  ILE   4          HG12      ILE   4  -2.482  -3.582   4.405
   37   1HG2  ILE   4          HG21      ILE   4  -0.800  -2.095   2.355
   38   2HG2  ILE   4          HG22      ILE   4  -2.303  -1.200   2.120
   39   3HG2  ILE   4          HG23      ILE   4  -1.607  -2.118   0.784
   40   1HD1  ILE   4          HD11      ILE   4  -2.911  -5.788   3.914
   41   2HD1  ILE   4          HD12      ILE   4  -1.174  -5.801   4.220
   42   3HD1  ILE   4          HD13      ILE   4  -1.776  -5.816   2.563
   43    H    PHE   5           HN       PHE   5  -3.872  -0.480   2.931
   44    HA   PHE   5           HA       PHE   5  -4.804   0.264   0.262
   45   1HB   PHE   5          HB1       PHE   5  -6.127   2.111   1.797
   46   2HB   PHE   5          HB2       PHE   5  -6.860   0.695   1.060
   47    HD1  PHE   5           HD1      PHE   5  -5.979   2.333   4.125
   48    HD2  PHE   5           HD2      PHE   5  -7.191  -1.371   2.422
   49    HE1  PHE   5           HE1      PHE   5  -6.666   1.542   6.347
   50    HE2  PHE   5           HE2      PHE   5  -7.879  -2.170   4.645
   51    HZ   PHE   5           HZ       PHE   5  -7.613  -0.709   6.609
   52    H    ARG   6           HN       ARG   6  -4.988   3.000   0.584
   53    HA   ARG   6           HA       ARG   6  -2.471   3.831   1.834
   54   1HB   ARG   6          HB2       ARG   6  -3.181   4.304  -1.066
   55   2HB   ARG   6          HB1       ARG   6  -1.849   5.090  -0.228
   56   1HG   ARG   6          HG1       ARG   6  -0.591   3.408  -0.949
   57   2HG   ARG   6          HG2       ARG   6  -1.409   2.416   0.260
   58   1HD   ARG   6          HD2       ARG   6  -2.377   1.195  -1.320
   59   2HD   ARG   6          HD1       ARG   6  -3.045   2.638  -2.082
   60    HE   ARG   6           HE       ARG   6  -0.386   1.514  -2.682
   61   1HH1  ARG   6          HH22      ARG   6  -3.241   3.288  -3.601
   62   2HH1  ARG   6          HH21      ARG   6  -2.741   3.493  -5.246
   63   1HH2  ARG   6          HH11      ARG   6   0.281   1.780  -4.847
   64   2HH2  ARG   6          HH12      ARG   6  -0.740   2.637  -5.954
   65    H    CYS   7           HN       CYS   7  -2.826   5.563   3.042
   66    HA   CYS   7           HA       CYS   7  -5.194   7.156   2.711
   67   1HB   CYS   7          HB2       CYS   7  -4.229   6.571   4.950
   68   2HB   CYS   7          HB1       CYS   7  -2.873   7.633   4.583
   69    HG   CYS   7           HG       CYS   7  -4.518   9.656   4.634
   70    H    ASP   8           HN       ASP   8  -5.147   9.495   2.473
   71    HA   ASP   8           HA       ASP   8  -3.736  10.319   0.240
   72   1HB   ASP   8          HB1       ASP   8  -5.685  11.431   1.999
   73   2HB   ASP   8          HB2       ASP   8  -4.428  12.638   1.748
   74    H    CYS   9           HN       CYS   9  -2.709  10.244   3.504
   75    HA   CYS   9           HA       CYS   9  -0.676  12.256   3.300
   76   1HB   CYS   9          HB1       CYS   9  -1.681  11.434   5.460
   77   2HB   CYS   9          HB2       CYS   9  -0.795   9.931   5.227
   78    HG   CYS   9           HG       CYS   9   1.222  10.997   6.113
   79    H    GLY  10           HN       GLY  10  -1.055   9.550   1.629
   80   1HA   GLY  10          HA1       GLY  10   0.412   8.433   0.227
   81   2HA   GLY  10          HA2       GLY  10   1.743   9.299   0.981
   82    H    ARG  11           HN       ARG  11  -0.245   7.970   3.307
   83    HA   ARG  11           HA       ARG  11   1.774   5.960   3.922
   84   1HB   ARG  11          HB2       ARG  11   0.898   5.873   6.096
   85   2HB   ARG  11          HB1       ARG  11   0.792   7.566   5.640
   86   1HG   ARG  11          HG1       ARG  11  -1.424   7.596   5.834
   87   2HG   ARG  11          HG2       ARG  11  -1.610   6.056   4.993
   88   1HD   ARG  11          HD1       ARG  11  -2.414   5.742   7.205
   89   2HD   ARG  11          HD2       ARG  11  -0.856   4.923   7.099
   90    HE   ARG  11           HE       ARG  11   0.105   6.821   8.295
   91   1HH1  ARG  11          HH12      ARG  11  -3.359   6.449   8.373
   92   2HH1  ARG  11          HH11      ARG  11  -3.553   7.357   9.835
   93   1HH2  ARG  11          HH21      ARG  11  -0.141   8.017  10.220
   94   2HH2  ARG  11          HH22      ARG  11  -1.722   8.248  10.885
   95    H    ALA  12           HN       ALA  12   0.211   4.129   5.336
   96    HA   ALA  12           HA       ALA  12  -1.813   3.056   3.576
   97   1HB   ALA  12          HB1       ALA  12   0.942   2.093   3.499
   98   2HB   ALA  12          HB2       ALA  12  -0.380   1.842   2.358
   99   3HB   ALA  12          HB3       ALA  12  -0.244   0.819   3.789
  100    H    LEU  13           HN       LEU  13  -2.931   1.211   4.520
  101    HA   LEU  13           HA       LEU  13  -2.233   0.576   7.284
  102   1HB   LEU  13          HB1       LEU  13  -4.684   2.039   6.434
  103   2HB   LEU  13          HB2       LEU  13  -4.827   0.865   7.727
  104    HG   LEU  13           HG       LEU  13  -2.584   2.676   8.137
  105   1HD1  LEU  13          HD21      LEU  13  -4.387   4.486   8.849
  106   2HD1  LEU  13          HD22      LEU  13  -5.254   3.787   7.482
  107   3HD1  LEU  13          HD23      LEU  13  -3.649   4.477   7.247
  108   1HD2  LEU  13          HD11      LEU  13  -4.866   2.638   9.987
  109   2HD2  LEU  13          HD12      LEU  13  -3.147   2.385  10.292
  110   3HD2  LEU  13          HD13      LEU  13  -4.135   1.067   9.662
  111    H    TYR  14           HN       TYR  14  -4.148  -0.982   8.129
  112    HA   TYR  14           HA       TYR  14  -4.811  -2.890   5.994
  113   1HB   TYR  14          HB2       TYR  14  -3.992  -4.757   7.255
  114   2HB   TYR  14          HB1       TYR  14  -2.694  -3.572   7.156
  115    HD1  TYR  14           HD1      TYR  14  -4.525  -5.674   9.315
  116    HD2  TYR  14           HD2      TYR  14  -2.512  -1.928   9.191
  117    HE1  TYR  14           HE1      TYR  14  -4.311  -5.714  11.764
  118    HE2  TYR  14           HE2      TYR  14  -2.292  -1.958  11.639
  119    HH   TYR  14           HH       TYR  14  -4.037  -3.796  13.620
  120    H    SER  15           HN       SER  15  -6.720  -3.978   6.253
  121    HA   SER  15           HA       SER  15  -8.139  -3.957   8.770
  122   1HB   SER  15          HB1       SER  15  -8.638  -1.722   7.615
  123   2HB   SER  15          HB2       SER  15  -9.516  -2.667   6.413
  124    HG   SER  15           HG       SER  15 -10.578  -1.771   8.501
  125    H    ARG  16           HN       ARG  16 -10.594  -4.767   8.086
  126    HA   ARG  16           HA       ARG  16 -10.110  -7.375   6.984
  127   1HB   ARG  16          HB1       ARG  16 -12.453  -7.818   7.467
  128   2HB   ARG  16          HB2       ARG  16 -11.660  -7.080   8.853
  129   1HG   ARG  16          HG1       ARG  16 -12.678  -4.930   7.442
  130   2HG   ARG  16          HG2       ARG  16 -13.928  -6.170   7.314
  131   1HD   ARG  16          HD2       ARG  16 -14.223  -6.289   9.612
  132   2HD   ARG  16          HD1       ARG  16 -12.640  -5.591   9.947
  133    HE   ARG  16           HE       ARG  16 -14.468  -3.800   8.622
  134   1HH1  ARG  16          HH22      ARG  16 -13.328  -5.005  11.687
  135   2HH1  ARG  16          HH21      ARG  16 -13.837  -3.606  12.572
  136   1HH2  ARG  16          HH12      ARG  16 -15.141  -1.956   9.778
  137   2HH2  ARG  16          HH11      ARG  16 -14.867  -1.873  11.487
  138    H    GLU  17           HN       GLU  17 -11.226  -8.294   5.182
  139    HA   GLU  17           HA       GLU  17 -11.109  -6.765   2.845
  140   1HB   GLU  17          HB1       GLU  17 -11.151  -9.368   3.254
  141   2HB   GLU  17          HB2       GLU  17 -12.878  -9.173   2.994
  142   1HG   GLU  17          HG1       GLU  17 -10.908  -8.073   1.033
  143   2HG   GLU  17          HG2       GLU  17 -11.367  -9.775   1.000
  144    H    GLY  18           HN       GLY  18 -12.374  -5.083   2.364
  145   1HA   GLY  18          HA1       GLY  18 -14.841  -4.952   1.516
  146   2HA   GLY  18          HA2       GLY  18 -15.179  -5.119   3.231
  147    H    ALA  19           HN       ALA  19 -12.444  -3.479   3.360
  148    HA   ALA  19           HA       ALA  19 -13.756  -0.985   3.855
  149   1HB   ALA  19          HB1       ALA  19 -11.087  -2.113   4.283
  150   2HB   ALA  19          HB2       ALA  19 -12.043  -1.033   5.299
  151   3HB   ALA  19          HB3       ALA  19 -11.109  -0.381   3.952
  152    H    LYS  20           HN       LYS  20 -14.437   0.214   2.209
  153    HA   LYS  20           HA       LYS  20 -12.915   0.332  -0.266
  154   1HB   LYS  20          HB1       LYS  20 -14.859   0.803  -1.274
  155   2HB   LYS  20          HB2       LYS  20 -15.595   0.324   0.248
  156   1HG   LYS  20          HG1       LYS  20 -14.750   3.140  -0.041
  157   2HG   LYS  20          HG2       LYS  20 -16.182   2.604  -0.921
  158   1HD   LYS  20          HD1       LYS  20 -15.828   2.007   1.995
  159   2HD   LYS  20          HD2       LYS  20 -16.498   3.548   1.453
  160   1HE   LYS  20          HE2       LYS  20 -18.001   1.880  -0.006
  161   2HE   LYS  20          HE1       LYS  20 -17.662   0.830   1.369
  162   1HZ   LYS  20          HZ1       LYS  20 -18.556   3.570   1.896
  163   2HZ   LYS  20          HZ2       LYS  20 -18.822   2.161   2.791
  164   3HZ   LYS  20          HZ3       LYS  20 -19.704   2.442   1.375
  165    H    THR  21           HN       THR  21 -13.995   2.453   2.333
  166    HA   THR  21           HA       THR  21 -11.735   4.206   1.786
  167    HB   THR  21           HB       THR  21 -13.380   6.198   2.165
  168    HG1  THR  21           HG1      THR  21 -15.434   5.796   1.329
  169   1HG2  THR  21          HG21      THR  21 -13.679   6.533  -0.165
  170   2HG2  THR  21          HG22      THR  21 -13.478   4.812  -0.495
  171   3HG2  THR  21          HG23      THR  21 -12.109   5.766   0.079
  172    H    ARG  22           HN       ARG  22 -10.695   4.272   3.640
  173    HA   ARG  22           HA       ARG  22 -12.120   3.989   6.160
  174   1HB   ARG  22          HB1       ARG  22  -9.727   3.029   5.343
  175   2HB   ARG  22          HB2       ARG  22  -9.202   4.497   6.155
  176   1HG   ARG  22          HG2       ARG  22  -9.097   2.866   7.807
  177   2HG   ARG  22          HG1       ARG  22 -10.624   3.691   8.126
  178   1HD   ARG  22          HD1       ARG  22 -11.089   1.570   6.278
  179   2HD   ARG  22          HD2       ARG  22 -10.184   0.938   7.653
  180    HE   ARG  22           HE       ARG  22 -12.780   2.321   7.844
  181   1HH1  ARG  22          HH12      ARG  22 -10.417   0.064   9.057
  182   2HH1  ARG  22          HH11      ARG  22 -11.422  -0.485  10.357
  183   1HH2  ARG  22          HH21      ARG  22 -14.107   1.603   9.551
  184   2HH2  ARG  22          HH22      ARG  22 -13.519   0.390  10.638
  185    H    LYS  23           HN       LYS  23 -10.432   5.480   7.839
  186    HA   LYS  23           HA       LYS  23 -10.502   8.225   6.894
  187   1HB   LYS  23          HB1       LYS  23 -12.771   7.921   7.720
  188   2HB   LYS  23          HB2       LYS  23 -12.161   7.280   9.240
  189   1HG   LYS  23          HG2       LYS  23 -10.975   9.569   9.452
  190   2HG   LYS  23          HG1       LYS  23 -12.140  10.092   8.234
  191   1HD   LYS  23          HD1       LYS  23 -13.277   8.573  10.480
  192   2HD   LYS  23          HD2       LYS  23 -12.594  10.143  10.906
  193   1HE   LYS  23          HE1       LYS  23 -14.142  11.301   9.700
  194   2HE   LYS  23          HE2       LYS  23 -14.343  10.011   8.515
  195   1HZ   LYS  23          HZ1       LYS  23 -15.372   8.796  10.585
  196   2HZ   LYS  23          HZ2       LYS  23 -16.300   9.842   9.632
  197   3HZ   LYS  23          HZ3       LYS  23 -15.659  10.380  11.102
  198    H    CYS  24           HN       CYS  24  -9.176   9.595   8.021
  199    HA   CYS  24           HA       CYS  24  -7.336   8.296   9.885
  200   1HB   CYS  24          HB2       CYS  24  -6.801   9.821   7.688
  201   2HB   CYS  24          HB1       CYS  24  -6.732  11.033   8.963
  202    HG   CYS  24           HG       CYS  24  -5.012   8.568   9.507
  203    H    VAL  25           HN       VAL  25  -7.729   8.584  11.945
  204    HA   VAL  25           HA       VAL  25  -9.525  10.529  12.958
  205    HB   VAL  25           HB       VAL  25  -9.579   9.018  14.576
  206   1HG1  VAL  25          HG21      VAL  25  -8.234   7.114  14.667
  207   2HG1  VAL  25          HG22      VAL  25  -6.834   7.958  14.004
  208   3HG1  VAL  25          HG23      VAL  25  -8.211   7.580  12.965
  209   1HG2  VAL  25          HG11      VAL  25  -8.192  10.848  15.631
  210   2HG2  VAL  25          HG12      VAL  25  -6.801   9.787  15.408
  211   3HG2  VAL  25          HG13      VAL  25  -8.150   9.272  16.421
  212    H    CYS  26           HN       CYS  26  -6.165  10.552  12.265
  213    HA   CYS  26           HA       CYS  26  -5.389  12.666  14.000
  214   1HB   CYS  26          HB2       CYS  26  -3.746  11.153  12.978
  215   2HB   CYS  26          HB1       CYS  26  -4.173  11.756  11.380
  216    HG   CYS  26           HG       CYS  26  -2.930  13.721  13.429
  217    H    GLY  27           HN       GLY  27  -7.030  12.509  10.956
  218   1HA   GLY  27          HA1       GLY  27  -8.373  14.635  10.621
  219   2HA   GLY  27          HA2       GLY  27  -6.811  15.438  10.671
  220    H    ARG  28           HN       ARG  28  -8.290  12.665   8.976
  221    HA   ARG  28           HA       ARG  28  -8.027  13.809   6.407
  222   1HB   ARG  28          HB2       ARG  28  -5.715  12.365   7.459
  223   2HB   ARG  28          HB1       ARG  28  -6.297  11.702   5.937
  224   1HG   ARG  28          HG2       ARG  28  -5.816  14.635   6.275
  225   2HG   ARG  28          HG1       ARG  28  -4.503  13.527   5.865
  226   1HD   ARG  28          HD2       ARG  28  -5.147  13.449   3.739
  227   2HD   ARG  28          HD1       ARG  28  -6.797  13.034   4.201
  228    HE   ARG  28           HE       ARG  28  -6.348  15.791   4.602
  229   1HH1  ARG  28          HH12      ARG  28  -6.795  13.449   2.060
  230   2HH1  ARG  28          HH11      ARG  28  -7.471  14.594   0.949
  231   1HH2  ARG  28          HH22      ARG  28  -7.237  17.304   3.147
  232   2HH2  ARG  28          HH21      ARG  28  -7.722  16.785   1.568
  233    H    THR  29           HN       THR  29  -7.716  11.550   4.845
  234    HA   THR  29           HA       THR  29  -9.632   9.574   5.818
  235    HB   THR  29           HB       THR  29  -9.966  11.094   3.223
  236    HG1  THR  29           HG1      THR  29 -11.466  12.187   4.221
  237   1HG2  THR  29          HG21      THR  29 -11.018   8.531   4.062
  238   2HG2  THR  29          HG22      THR  29 -11.055   9.313   2.481
  239   3HG2  THR  29          HG23      THR  29 -12.287   9.696   3.684
  240    H    VAL  30           HN       VAL  30  -9.192   7.538   5.116
  241    HA   VAL  30           HA       VAL  30  -6.831   7.230   3.421
  242    HB   VAL  30           HB       VAL  30  -8.242   5.065   4.972
  243   1HG1  VAL  30          HG21      VAL  30  -5.989   3.999   4.840
  244   2HG1  VAL  30          HG22      VAL  30  -5.498   5.293   3.747
  245   3HG1  VAL  30          HG23      VAL  30  -6.793   4.188   3.282
  246   1HG2  VAL  30          HG11      VAL  30  -6.268   5.455   6.577
  247   2HG2  VAL  30          HG12      VAL  30  -7.643   6.557   6.655
  248   3HG2  VAL  30          HG13      VAL  30  -6.167   7.047   5.825
  249    H    ASN  31           HN       ASN  31  -7.103   6.878   1.340
  250    HA   ASN  31           HA       ASN  31  -9.590   5.635   0.398
  251   1HB   ASN  31          HB2       ASN  31  -8.467   7.901  -0.488
  252   2HB   ASN  31          HB1       ASN  31  -7.627   6.759  -1.533
  253   1HD2  ASN  31          HD22      ASN  31  -9.729   8.837  -2.011
  254   2HD2  ASN  31          HD21      ASN  31 -10.972   8.005  -2.876
  255    H    VAL  32           HN       VAL  32  -9.512   3.502   0.041
  256    HA   VAL  32           HA       VAL  32  -7.074   2.061  -0.194
  257    HB   VAL  32           HB       VAL  32  -8.316   0.111  -0.360
  258   1HG1  VAL  32          HG11      VAL  32  -9.414   0.243   1.580
  259   2HG1  VAL  32          HG12      VAL  32 -10.543   1.451   0.966
  260   3HG1  VAL  32          HG13      VAL  32  -8.959   1.947   1.562
  261   1HG2  VAL  32          HG21      VAL  32 -10.569  -0.099  -1.164
  262   2HG2  VAL  32          HG22      VAL  32  -9.607   0.760  -2.371
  263   3HG2  VAL  32          HG23      VAL  32 -10.716   1.653  -1.329
  264    H    LYS  33           HN       LYS  33  -7.357   0.286  -2.257
  265    HA   LYS  33           HA       LYS  33  -6.263   1.658  -4.422
  266   1HB   LYS  33          HB2       LYS  33  -6.450  -0.944  -3.759
  267   2HB   LYS  33          HB1       LYS  33  -7.688  -0.876  -5.006
  268   1HG   LYS  33          HG1       LYS  33  -6.091  -0.059  -6.613
  269   2HG   LYS  33          HG2       LYS  33  -4.842   0.032  -5.369
  270   1HD   LYS  33          HD2       LYS  33  -4.277  -1.998  -6.186
  271   2HD   LYS  33          HD1       LYS  33  -5.563  -2.545  -5.108
  272   1HE   LYS  33          HE2       LYS  33  -5.741  -3.509  -7.372
  273   2HE   LYS  33          HE1       LYS  33  -7.147  -2.543  -6.929
  274   1HZ   LYS  33          HZ1       LYS  33  -4.905  -1.425  -8.502
  275   2HZ   LYS  33          HZ2       LYS  33  -6.468  -0.803  -8.319
  276   3HZ   LYS  33          HZ3       LYS  33  -6.216  -2.202  -9.234
  277    H    ASP  34           HN       ASP  34  -7.327   1.172  -6.752
  278    HA   ASP  34           HA       ASP  34  -9.768   2.751  -6.744
  279   1HB   ASP  34          HB1       ASP  34  -9.340   2.407  -9.351
  280   2HB   ASP  34          HB2       ASP  34  -8.436   3.593  -8.415
  281    H    ARG  35           HN       ARG  35  -8.643  -0.398  -7.917
  282    HA   ARG  35           HA       ARG  35 -11.332  -1.174  -8.674
  283   1HB   ARG  35          HB2       ARG  35  -8.730  -2.716  -8.688
  284   2HB   ARG  35          HB1       ARG  35 -10.261  -3.332  -9.295
  285   1HG   ARG  35          HG2       ARG  35  -9.547  -0.758 -10.445
  286   2HG   ARG  35          HG1       ARG  35  -8.349  -2.015 -10.760
  287   1HD   ARG  35          HD2       ARG  35 -10.444  -3.452 -11.366
  288   2HD   ARG  35          HD1       ARG  35 -11.219  -1.880 -11.570
  289    HE   ARG  35           HE       ARG  35  -9.267  -3.085 -13.296
  290   1HH1  ARG  35          HH12      ARG  35 -10.646  -0.072 -12.215
  291   2HH1  ARG  35          HH11      ARG  35 -10.212   0.790 -13.653
  292   1HH2  ARG  35          HH22      ARG  35  -8.691  -1.956 -15.191
  293   2HH2  ARG  35          HH21      ARG  35  -9.101  -0.281 -15.344
  294    H    ARG  36           HN       ARG  36  -9.495  -3.705  -7.296
  295    HA   ARG  36           HA       ARG  36 -11.477  -4.124  -5.258
  296   1HB   ARG  36          HB2       ARG  36  -8.909  -5.665  -5.427
  297   2HB   ARG  36          HB1       ARG  36 -10.499  -6.216  -4.917
  298   1HG   ARG  36          HG2       ARG  36 -11.292  -6.196  -7.184
  299   2HG   ARG  36          HG1       ARG  36  -9.780  -5.479  -7.745
  300   1HD   ARG  36          HD1       ARG  36 -10.026  -7.968  -8.100
  301   2HD   ARG  36          HD2       ARG  36  -8.559  -7.442  -7.274
  302    HE   ARG  36           HE       ARG  36  -9.438  -8.292  -5.243
  303   1HH1  ARG  36          HH11      ARG  36 -11.434  -8.966  -8.020
  304   2HH1  ARG  36          HH12      ARG  36 -12.309 -10.242  -7.242
  305   1HH2  ARG  36          HH21      ARG  36 -10.585  -9.971  -4.212
  306   2HH2  ARG  36          HH22      ARG  36 -11.826 -10.813  -5.078
  307    H    ILE  37           HN       ILE  37  -8.136  -4.741  -4.503
  308    HA   ILE  37           HA       ILE  37  -7.879  -2.472  -2.717
  309    HB   ILE  37           HB       ILE  37  -8.803  -5.055  -1.769
  310   1HG1  ILE  37          HG12      ILE  37  -9.655  -2.692  -1.287
  311   2HG1  ILE  37          HG11      ILE  37  -9.556  -3.798   0.077
  312   1HG2  ILE  37          HG21      ILE  37  -6.422  -3.961  -0.285
  313   2HG2  ILE  37          HG22      ILE  37  -6.345  -5.341  -1.380
  314   3HG2  ILE  37          HG23      ILE  37  -7.345  -5.423   0.070
  315   1HD1  ILE  37          HD11      ILE  37  -7.934  -1.387  -0.531
  316   2HD1  ILE  37          HD12      ILE  37  -7.211  -2.690   0.412
  317   3HD1  ILE  37          HD13      ILE  37  -8.680  -1.899   0.984
  318    H    PHE  38           HN       PHE  38  -5.746  -2.256  -1.859
  319    HA   PHE  38           HA       PHE  38  -3.740  -3.596  -3.500
  320   1HB   PHE  38          HB1       PHE  38  -3.953  -1.003  -2.874
  321   2HB   PHE  38          HB2       PHE  38  -2.976  -1.523  -1.505
  322    HD1  PHE  38           HD1      PHE  38  -0.733  -2.443  -1.857
  323    HD2  PHE  38           HD2      PHE  38  -3.046  -0.899  -5.078
  324    HE1  PHE  38           HE1      PHE  38   1.293  -2.324  -3.248
  325    HE2  PHE  38           HE2      PHE  38  -1.024  -0.779  -6.476
  326    HZ   PHE  38           HZ       PHE  38   1.148  -1.492  -5.560
  327    H    GLY  39           HN       GLY  39  -1.913  -4.632  -2.593
  328   1HA   GLY  39          HA1       GLY  39  -0.998  -6.223  -1.204
  329   2HA   GLY  39          HA2       GLY  39  -1.218  -4.983   0.019
  330    H    ARG  40           HN       ARG  40  -2.502  -7.916  -1.365
  331    HA   ARG  40           HA       ARG  40  -4.654  -8.012   0.605
  332   1HB   ARG  40          HB1       ARG  40  -4.640  -8.844  -1.947
  333   2HB   ARG  40          HB2       ARG  40  -4.112 -10.329  -1.170
  334   1HG   ARG  40          HG1       ARG  40  -6.540  -8.869  -0.212
  335   2HG   ARG  40          HG2       ARG  40  -6.618  -9.987  -1.576
  336   1HD   ARG  40          HD2       ARG  40  -5.227 -11.436   0.276
  337   2HD   ARG  40          HD1       ARG  40  -6.346 -10.524   1.289
  338    HE   ARG  40           HE       ARG  40  -8.081 -11.449  -0.385
  339   1HH1  ARG  40          HH12      ARG  40  -5.237 -13.124   0.734
  340   2HH1  ARG  40          HH11      ARG  40  -5.934 -14.698   0.547
  341   1HH2  ARG  40          HH21      ARG  40  -9.005 -13.519  -0.634
  342   2HH2  ARG  40          HH22      ARG  40  -8.076 -14.923  -0.230
  343    H    ALA  41           HN       ALA  41  -3.543  -8.251   2.523
  344    HA   ALA  41           HA       ALA  41  -1.710 -10.514   2.789
  345   1HB   ALA  41          HB1       ALA  41  -2.282  -8.144   4.549
  346   2HB   ALA  41          HB2       ALA  41  -0.806  -8.508   3.652
  347   3HB   ALA  41          HB3       ALA  41  -1.257  -9.495   5.045
  348    H    ASP  42           HN       ASP  42  -2.554 -12.394   3.381
  349    HA   ASP  42           HA       ASP  42  -5.056 -12.524   4.829
  350   1HB   ASP  42          HB2       ASP  42  -4.765 -14.181   3.131
  351   2HB   ASP  42          HB1       ASP  42  -3.181 -14.634   3.751
  352    H    ASP  43           HN       ASP  43  -1.639 -12.955   5.430
  353    HA   ASP  43           HA       ASP  43  -2.094 -13.923   8.138
  354   1HB   ASP  43          HB1       ASP  43   0.255 -13.688   6.329
  355   2HB   ASP  43          HB2       ASP  43   0.565 -13.595   8.060
  356    H    PHE  44           HN       PHE  44  -2.010 -12.694   9.925
  357    HA   PHE  44           HA       PHE  44  -2.148  -9.909   9.816
  358   1HB   PHE  44          HB1       PHE  44  -3.031 -11.158  11.707
  359   2HB   PHE  44          HB2       PHE  44  -1.414 -11.703  12.139
  360    HD1  PHE  44           HD1      PHE  44  -0.070 -10.442  13.566
  361    HD2  PHE  44           HD2      PHE  44  -3.529  -8.674  11.828
  362    HE1  PHE  44           HE1      PHE  44   0.208  -8.477  15.020
  363    HE2  PHE  44           HE2      PHE  44  -3.258  -6.706  13.280
  364    HZ   PHE  44           HZ       PHE  44  -1.387  -6.607  14.879
  365    H    GLU  45           HN       GLU  45   0.587 -12.062  10.213
  366    HA   GLU  45           HA       GLU  45   2.476 -10.114  11.019
  367   1HB   GLU  45          HB1       GLU  45   2.471 -12.916  10.346
  368   2HB   GLU  45          HB2       GLU  45   3.834 -12.118   9.572
  369   1HG   GLU  45          HG2       GLU  45   4.843 -12.565  11.526
  370   2HG   GLU  45          HG1       GLU  45   4.045 -11.077  12.033
  371    H    GLU  46           HN       GLU  46   1.683 -11.499   7.842
  372    HA   GLU  46           HA       GLU  46   3.559  -9.929   6.403
  373   1HB   GLU  46          HB2       GLU  46   2.597 -12.046   5.549
  374   2HB   GLU  46          HB1       GLU  46   1.030 -11.260   5.410
  375   1HG   GLU  46          HG2       GLU  46   1.771 -11.093   3.264
  376   2HG   GLU  46          HG1       GLU  46   2.357  -9.566   3.919
  377    H    ALA  47           HN       ALA  47   0.407  -9.324   7.648
  378    HA   ALA  47           HA       ALA  47  -0.496  -7.311   5.926
  379   1HB   ALA  47          HB1       ALA  47  -1.972  -8.310   7.543
  380   2HB   ALA  47          HB2       ALA  47  -1.880  -6.575   7.848
  381   3HB   ALA  47          HB3       ALA  47  -0.990  -7.699   8.876
  382    H    SER  48           HN       SER  48   1.203  -6.968   9.043
  383    HA   SER  48           HA       SER  48   1.508  -4.192   8.945
  384   1HB   SER  48          HB2       SER  48   3.583  -5.908  10.262
  385   2HB   SER  48          HB1       SER  48   2.843  -4.414  10.833
  386    HG   SER  48           HG       SER  48   1.502  -6.904  10.605
  387    H    GLU  49           HN       GLU  49   3.592  -6.773   7.726
  388    HA   GLU  49           HA       GLU  49   5.765  -5.087   7.035
  389   1HB   GLU  49          HB2       GLU  49   5.030  -7.899   6.683
  390   2HB   GLU  49          HB1       GLU  49   5.966  -7.253   5.341
  391   1HG   GLU  49          HG1       GLU  49   6.949  -6.656   8.064
  392   2HG   GLU  49          HG2       GLU  49   7.076  -8.326   7.512
  393    H    LEU  50           HN       LEU  50   2.894  -6.155   5.315
  394    HA   LEU  50           HA       LEU  50   3.687  -5.254   2.746
  395   1HB   LEU  50          HB1       LEU  50   1.333  -6.399   3.979
  396   2HB   LEU  50          HB2       LEU  50   0.893  -5.115   2.871
  397    HG   LEU  50           HG       LEU  50   2.561  -7.538   2.180
  398   1HD1  LEU  50          HD11      LEU  50  -0.322  -6.942   2.061
  399   2HD1  LEU  50          HD12      LEU  50   0.517  -8.488   2.182
  400   3HD1  LEU  50          HD13      LEU  50   0.376  -7.682   0.620
  401   1HD2  LEU  50          HD21      LEU  50   2.026  -5.007   0.797
  402   2HD2  LEU  50          HD22      LEU  50   1.753  -6.457  -0.171
  403   3HD2  LEU  50          HD23      LEU  50   3.328  -6.174   0.571
  404    H    VAL  51           HN       VAL  51   1.857  -3.785   5.379
  405    HA   VAL  51           HA       VAL  51   1.123  -1.418   4.059
  406    HB   VAL  51           HB       VAL  51   1.554  -1.959   6.996
  407   1HG1  VAL  51          HG21      VAL  51   1.124   0.167   7.478
  408   2HG1  VAL  51          HG22      VAL  51  -0.274   0.190   6.403
  409   3HG1  VAL  51          HG23      VAL  51   1.335   0.530   5.765
  410   1HG2  VAL  51          HG11      VAL  51  -1.009  -1.770   5.424
  411   2HG2  VAL  51          HG12      VAL  51  -0.825  -2.233   7.115
  412   3HG2  VAL  51          HG13      VAL  51  -0.206  -3.284   5.840
  413    H    ARG  52           HN       ARG  52   3.912  -2.155   6.150
  414    HA   ARG  52           HA       ARG  52   5.027   0.424   6.126
  415   1HB   ARG  52          HB1       ARG  52   5.777  -2.194   7.061
  416   2HB   ARG  52          HB2       ARG  52   7.155  -1.427   6.284
  417   1HG   ARG  52          HG1       ARG  52   7.516  -0.423   8.232
  418   2HG   ARG  52          HG2       ARG  52   6.117   0.583   7.854
  419   1HD   ARG  52          HD1       ARG  52   4.664  -0.808   9.104
  420   2HD   ARG  52          HD2       ARG  52   5.886  -2.070   9.250
  421    HE   ARG  52           HE       ARG  52   7.118  -0.528  10.716
  422   1HH1  ARG  52          HH11      ARG  52   3.723   0.035  10.173
  423   2HH1  ARG  52          HH12      ARG  52   3.501   0.913  11.651
  424   1HH2  ARG  52          HH21      ARG  52   6.835   0.626  12.661
  425   2HH2  ARG  52          HH22      ARG  52   5.269   1.249  13.064
  426    H    LYS  53           HN       LYS  53   5.502  -2.355   3.987
  427    HA   LYS  53           HA       LYS  53   7.499  -1.126   2.374
  428   1HB   LYS  53          HB2       LYS  53   6.139  -3.631   2.463
  429   2HB   LYS  53          HB1       LYS  53   5.960  -2.981   0.840
  430   1HG   LYS  53          HG2       LYS  53   8.515  -2.575   0.988
  431   2HG   LYS  53          HG1       LYS  53   8.447  -3.750   2.304
  432   1HD   LYS  53          HD2       LYS  53   7.931  -5.482   0.916
  433   2HD   LYS  53          HD1       LYS  53   7.068  -4.450  -0.227
  434   1HE   LYS  53          HE2       LYS  53   9.273  -5.454  -1.009
  435   2HE   LYS  53          HE1       LYS  53   9.051  -3.721  -1.241
  436   1HZ   LYS  53          HZ1       LYS  53  10.286  -4.501   1.265
  437   2HZ   LYS  53          HZ2       LYS  53  10.671  -3.230   0.216
  438   3HZ   LYS  53          HZ3       LYS  53  11.211  -4.798  -0.120
  439    H    LEU  54           HN       LEU  54   4.019  -1.137   2.451
  440    HA   LEU  54           HA       LEU  54   3.564   0.047  -0.094
  441   1HB   LEU  54          HB1       LEU  54   2.013  -0.836   2.145
  442   2HB   LEU  54          HB2       LEU  54   1.510   0.788   1.721
  443    HG   LEU  54           HG       LEU  54   0.147  -0.933   0.616
  444   1HD1  LEU  54          HD11      LEU  54   1.840   0.879  -1.065
  445   2HD1  LEU  54          HD12      LEU  54   0.173   1.096  -0.534
  446   3HD1  LEU  54          HD13      LEU  54   0.556  -0.105  -1.768
  447   1HD2  LEU  54          HD21      LEU  54   1.345  -2.795   0.148
  448   2HD2  LEU  54          HD22      LEU  54   2.812  -1.893  -0.235
  449   3HD2  LEU  54          HD23      LEU  54   1.505  -1.996  -1.416
  450    H    GLN  55           HN       GLN  55   4.588   1.240   2.968
  451    HA   GLN  55           HA       GLN  55   3.734   3.922   2.722
  452   1HB   GLN  55          HB1       GLN  55   6.006   2.707   4.296
  453   2HB   GLN  55          HB2       GLN  55   5.496   4.383   4.442
  454   1HG   GLN  55          HG1       GLN  55   3.303   3.671   5.203
  455   2HG   GLN  55          HG2       GLN  55   3.774   1.983   5.013
  456   1HE2  GLN  55          HE22      GLN  55   3.129   1.896   7.288
  457   2HE2  GLN  55          HE21      GLN  55   4.295   2.306   8.495
  458    H    GLU  56           HN       GLU  56   5.495   5.727   2.766
  459    HA   GLU  56           HA       GLU  56   6.767   5.674   0.203
  460   1HB   GLU  56          HB2       GLU  56   7.620   7.977   1.146
  461   2HB   GLU  56          HB1       GLU  56   5.951   7.779   0.643
  462   1HG   GLU  56          HG2       GLU  56   5.203   8.236   2.676
  463   2HG   GLU  56          HG1       GLU  56   6.295   7.065   3.413
  464    H    GLU  57           HN       GLU  57   8.365   4.078   0.357
  465    HA   GLU  57           HA       GLU  57  10.370   4.156   2.402
  466   1HB   GLU  57          HB2       GLU  57  11.464   2.383   1.075
  467   2HB   GLU  57          HB1       GLU  57   9.768   2.036   1.385
  468   1HG   GLU  57          HG2       GLU  57  10.304   3.454  -1.127
  469   2HG   GLU  57          HG1       GLU  57  10.970   1.825  -1.027
  470    H    LYS  58           HN       LYS  58  12.463   4.881   2.285
  471    HA   LYS  58           HA       LYS  58  12.974   6.979   0.402
  472   1HB   LYS  58          HB2       LYS  58  13.647   6.854   2.904
  473   2HB   LYS  58          HB1       LYS  58  15.005   5.897   2.328
  474   1HG   LYS  58          HG1       LYS  58  16.102   7.771   1.925
  475   2HG   LYS  58          HG2       LYS  58  14.907   8.171   0.690
  476   1HD   LYS  58          HD2       LYS  58  14.087   8.717   3.465
  477   2HD   LYS  58          HD1       LYS  58  15.422   9.703   2.861
  478   1HE   LYS  58          HE1       LYS  58  13.932  10.991   1.835
  479   2HE   LYS  58          HE2       LYS  58  13.535   9.625   0.794
  480   1HZ   LYS  58          HZ1       LYS  58  12.155  10.560   3.222
  481   2HZ   LYS  58          HZ2       LYS  58  12.010   8.946   2.735
  482   3HZ   LYS  58          HZ3       LYS  58  11.509  10.191   1.704
  483    H    TYR  59           HN       TYR  59  13.819   6.689  -1.539
  484    HA   TYR  59           HA       TYR  59  15.242   4.225  -2.155
  485   1HB   TYR  59          HB2       TYR  59  13.662   6.155  -3.647
  486   2HB   TYR  59          HB1       TYR  59  15.180   5.791  -4.461
  487    HD1  TYR  59           HD1      TYR  59  15.668   3.504  -5.218
  488    HD2  TYR  59           HD2      TYR  59  11.930   4.498  -3.444
  489    HE1  TYR  59           HE1      TYR  59  14.708   1.413  -6.083
  490    HE2  TYR  59           HE2      TYR  59  10.960   2.408  -4.304
  491    HH   TYR  59           HH       TYR  59  12.396   0.553  -6.673
  492    H    GLY  60           HN       GLY  60  15.839   7.621  -1.707
  493   1HA   GLY  60          HA2       GLY  60  17.800   8.808  -1.565
  494   2HA   GLY  60          HA1       GLY  60  18.630   7.263  -1.447
  495    H    SER  61           HN       SER  61  16.875   9.122  -3.937
  496    HA   SER  61           HA       SER  61  18.715   8.148  -5.962
  497   1HB   SER  61          HB2       SER  61  16.132   8.451  -6.194
  498   2HB   SER  61          HB1       SER  61  16.534  10.142  -6.492
  499    HG   SER  61           HG       SER  61  16.437   8.470  -8.322
  500    H    CYS  62           HN       CYS  62  18.387  10.852  -3.928
  501    HA   CYS  62           HA       CYS  62  20.629  12.148  -5.240
  502   1HB   CYS  62          HB1       CYS  62  19.562  14.319  -5.414
  503   2HB   CYS  62          HB2       CYS  62  18.622  13.138  -6.319
  504    HG   CYS  62           HG       CYS  62  17.532  13.615  -3.520
  505    H    HIS  63           HN       HIS  63  21.105  14.294  -3.918
  506    HA   HIS  63           HA       HIS  63  21.534  13.419  -1.210
  507   1HB   HIS  63          HB2       HIS  63  22.548  15.543  -2.971
  508   2HB   HIS  63          HB1       HIS  63  22.392  16.026  -1.285
  509    HD2  HIS  63           HD2      HIS  63  25.182  15.084  -3.212
  510    HE1  HIS  63           HE1      HIS  63  25.593  12.594   0.187
  511    HE2  HIS  63           HE2      HIS  63  26.775  13.564  -1.837
  512    H    PHE  64           HN       PHE  64  21.366  15.522   0.396
  513    HA   PHE  64           HA       PHE  64  18.566  15.780   0.863
  514   1HB   PHE  64          HB1       PHE  64  21.056  16.746   2.205
  515   2HB   PHE  64          HB2       PHE  64  19.528  17.518   2.620
  516    HD1  PHE  64           HD1      PHE  64  17.802  16.311   3.801
  517    HD2  PHE  64           HD2      PHE  64  21.489  14.443   2.790
  518    HE1  PHE  64           HE1      PHE  64  17.300  14.483   5.370
  519    HE2  PHE  64           HE2      PHE  64  20.995  12.610   4.356
  520    HZ   PHE  64           HZ       PHE  64  18.898  12.628   5.648
  521    H    THR  65           HN       THR  65  21.085  18.227   0.227
  522    HA   THR  65           HA       THR  65  18.997  20.104  -0.597
  523    HB   THR  65           HB       THR  65  21.834  20.955  -0.584
  524    HG1  THR  65           HG1      THR  65  22.204  20.340   1.370
  525   1HG2  THR  65          HG21      THR  65  19.316  22.197  -0.413
  526   2HG2  THR  65          HG22      THR  65  20.912  22.946  -0.402
  527   3HG2  THR  65          HG23      THR  65  20.147  22.479   1.116
  528    H    ASN  66           HN       ASN  66  18.436  19.497  -2.645
  529    HA   ASN  66           HA       ASN  66  20.288  18.739  -4.655
  530   1HB   ASN  66          HB1       ASN  66  18.133  19.534  -6.089
  531   2HB   ASN  66          HB2       ASN  66  18.265  17.961  -5.304
  532   1HD2  ASN  66          HD21      ASN  66  16.513  17.412  -4.256
  533   2HD2  ASN  66          HD22      ASN  66  15.439  18.478  -3.422
  534    HA   PRO  67           HA       PRO  67  21.721  22.941  -5.415
  535   1HB   PRO  67          HB2       PRO  67  23.363  21.638  -7.479
  536   2HB   PRO  67          HB1       PRO  67  23.868  22.584  -6.077
  537   1HG   PRO  67          HG2       PRO  67  24.235  19.927  -6.188
  538   2HG   PRO  67          HG1       PRO  67  23.852  20.755  -4.667
  539   1HD   PRO  67          HD2       PRO  67  22.051  19.185  -6.478
  540   2HD   PRO  67          HD1       PRO  67  22.140  19.187  -4.703
  541    H    SER  68           HN       SER  68  21.045  20.640  -8.047
  542    HA   SER  68           HA       SER  68  20.485  22.765  -9.910
  543   1HB   SER  68          HB2       SER  68  20.730  19.821 -10.023
  544   2HB   SER  68          HB1       SER  68  19.601  20.533 -11.176
  545    HG   SER  68           HG       SER  68  21.218  21.366 -12.240
  546    H    LYS  69           HN       LYS  69  18.651  20.570  -7.892
  547    HA   LYS  69           HA       LYS  69  16.132  21.360  -9.104
  548   1HB   LYS  69          HB1       LYS  69  17.039  19.278  -7.218
  549   2HB   LYS  69          HB2       LYS  69  15.429  19.914  -6.910
  550   1HG   LYS  69          HG2       LYS  69  14.587  19.127  -8.910
  551   2HG   LYS  69          HG1       LYS  69  16.179  19.045  -9.666
  552   1HD   LYS  69          HD2       LYS  69  16.726  17.059  -8.606
  553   2HD   LYS  69          HD1       LYS  69  15.546  17.307  -7.317
  554   1HE   LYS  69          HE2       LYS  69  14.299  15.837  -8.460
  555   2HE   LYS  69          HE1       LYS  69  13.938  17.210  -9.506
  556   1HZ   LYS  69          HZ1       LYS  69  14.642  15.254 -10.760
  557   2HZ   LYS  69          HZ2       LYS  69  16.128  15.254  -9.952
  558   3HZ   LYS  69          HZ3       LYS  69  15.719  16.541 -10.970
  559    H    ARG  70           HN       ARG  70  14.312  21.864  -7.452
  560    HA   ARG  70           HA       ARG  70  15.115  24.271  -6.073
  561   1HB   ARG  70          HB2       ARG  70  12.424  22.960  -6.483
  562   2HB   ARG  70          HB1       ARG  70  12.648  24.472  -5.615
  563   1HG   ARG  70          HG2       ARG  70  12.820  25.653  -7.496
  564   2HG   ARG  70          HG1       ARG  70  13.895  24.472  -8.246
  565   1HD   ARG  70          HD1       ARG  70  11.126  23.565  -7.954
  566   2HD   ARG  70          HD2       ARG  70  11.321  24.965  -9.009
  567    HE   ARG  70           HE       ARG  70  13.214  22.932  -9.618
  568   1HH1  ARG  70          HH12      ARG  70   9.872  23.833 -10.024
  569   2HH1  ARG  70          HH11      ARG  70   9.673  22.931 -11.489
  570   1HH2  ARG  70          HH21      ARG  70  12.961  21.742 -11.546
  571   2HH2  ARG  70          HH22      ARG  70  11.429  21.742 -12.354
  572    H    GLU  71           HN       GLU  71  14.848  24.706  -3.875
  573    HA   GLU  71           HA       GLU  71  15.061  22.356  -2.170
  574   1HB   GLU  71          HB1       GLU  71  16.543  24.529  -2.128
  575   2HB   GLU  71          HB2       GLU  71  15.232  25.163  -1.142
  576   1HG   GLU  71          HG2       GLU  71  16.396  22.523  -0.428
  577   2HG   GLU  71          HG1       GLU  71  17.318  23.982  -0.067
  Start of MODEL   20
    1   1H    MET   1          HT1       MET   1 -10.640 -11.121   5.769
    2   2H    MET   1          HT2       MET   1 -10.309 -12.490   6.749
    3   3H    MET   1          HT3       MET   1 -10.412 -12.660   5.045
    4    HA   MET   1           HA       MET   1  -8.173 -12.314   6.490
    5   1HB   MET   1          HB1       MET   1  -9.003 -12.112   3.630
    6   2HB   MET   1          HB2       MET   1  -7.357 -11.654   4.045
    7   1HG   MET   1          HG1       MET   1  -7.044 -13.852   3.567
    8   2HG   MET   1          HG2       MET   1  -7.381 -13.967   5.294
    9   1HE   MET   1          HE1       MET   1  -7.700 -16.682   3.887
   10   2HE   MET   1          HE2       MET   1  -9.281 -17.135   4.522
   11   3HE   MET   1          HE3       MET   1  -8.132 -16.277   5.548
   12    H    TYR   2           HN       TYR   2  -6.477 -10.572   5.377
   13    HA   TYR   2           HA       TYR   2  -7.522  -7.966   6.252
   14   1HB   TYR   2          HB2       TYR   2  -4.923  -9.339   6.583
   15   2HB   TYR   2          HB1       TYR   2  -4.834  -7.614   6.247
   16    HD1  TYR   2           HD1      TYR   2  -6.065 -10.145   8.623
   17    HD2  TYR   2           HD2      TYR   2  -5.482  -5.997   7.885
   18    HE1  TYR   2           HE1      TYR   2  -6.520  -9.667  10.991
   19    HE2  TYR   2           HE2      TYR   2  -5.936  -5.505  10.252
   20    HH   TYR   2           HH       TYR   2  -6.892  -6.408  12.169
   21    H    ILE   3           HN       ILE   3  -6.880  -6.076   5.130
   22    HA   ILE   3           HA       ILE   3  -5.952  -6.497   2.371
   23    HB   ILE   3           HB       ILE   3  -7.507  -4.590   1.737
   24   1HG1  ILE   3          HG12      ILE   3  -9.229  -5.378   4.037
   25   2HG1  ILE   3          HG11      ILE   3  -7.910  -4.253   4.355
   26   1HG2  ILE   3          HG21      ILE   3  -7.832  -7.156   1.421
   27   2HG2  ILE   3          HG22      ILE   3  -9.164  -6.047   1.092
   28   3HG2  ILE   3          HG23      ILE   3  -9.117  -6.943   2.611
   29   1HD1  ILE   3          HD11      ILE   3  -8.822  -2.607   3.031
   30   2HD1  ILE   3          HD12      ILE   3 -10.250  -3.346   3.759
   31   3HD1  ILE   3          HD13      ILE   3  -9.796  -3.748   2.103
   32    H    ILE   4           HN       ILE   4  -4.981  -4.572   1.392
   33    HA   ILE   4           HA       ILE   4  -4.007  -2.655   3.408
   34    HB   ILE   4           HB       ILE   4  -2.507  -4.109   1.263
   35   1HG1  ILE   4          HG11      ILE   4  -0.796  -3.806   3.304
   36   2HG1  ILE   4          HG12      ILE   4  -2.306  -3.622   4.192
   37   1HG2  ILE   4          HG21      ILE   4  -0.663  -2.282   1.979
   38   2HG2  ILE   4          HG22      ILE   4  -2.122  -1.286   2.022
   39   3HG2  ILE   4          HG23      ILE   4  -1.679  -2.137   0.542
   40   1HD1  ILE   4          HD11      ILE   4  -1.321  -5.940   4.086
   41   2HD1  ILE   4          HD12      ILE   4  -1.785  -5.955   2.385
   42   3HD1  ILE   4          HD13      ILE   4  -3.018  -5.784   3.635
   43    H    PHE   5           HN       PHE   5  -3.714  -0.494   2.715
   44    HA   PHE   5           HA       PHE   5  -4.694   0.226   0.061
   45   1HB   PHE   5          HB1       PHE   5  -6.051   2.062   1.545
   46   2HB   PHE   5          HB2       PHE   5  -6.755   0.592   0.892
   47    HD1  PHE   5           HD1      PHE   5  -5.720   2.345   3.875
   48    HD2  PHE   5           HD2      PHE   5  -7.132  -1.358   2.334
   49    HE1  PHE   5           HE1      PHE   5  -6.329   1.639   6.146
   50    HE2  PHE   5           HE2      PHE   5  -7.744  -2.073   4.607
   51    HZ   PHE   5           HZ       PHE   5  -7.339  -0.570   6.514
   52    H    ARG   6           HN       ARG   6  -5.001   3.004   0.604
   53    HA   ARG   6           HA       ARG   6  -2.396   3.823   1.665
   54   1HB   ARG   6          HB2       ARG   6  -3.400   4.375  -1.127
   55   2HB   ARG   6          HB1       ARG   6  -2.131   5.328  -0.369
   56   1HG   ARG   6          HG2       ARG   6  -1.274   2.738  -0.002
   57   2HG   ARG   6          HG1       ARG   6  -2.007   2.704  -1.606
   58   1HD   ARG   6          HD2       ARG   6   0.048   3.406  -2.235
   59   2HD   ARG   6          HD1       ARG   6  -0.616   4.983  -1.811
   60    HE   ARG   6           HE       ARG   6   0.484   4.006   0.508
   61   1HH1  ARG   6          HH22      ARG   6   1.629   4.724  -2.705
   62   2HH1  ARG   6          HH21      ARG   6   3.234   5.113  -2.184
   63   1HH2  ARG   6          HH11      ARG   6   2.594   4.515   1.201
   64   2HH2  ARG   6          HH12      ARG   6   3.783   4.994   0.036
   65    H    CYS   7           HN       CYS   7  -2.457   5.683   2.778
   66    HA   CYS   7           HA       CYS   7  -4.968   7.020   3.142
   67   1HB   CYS   7          HB2       CYS   7  -3.398   6.671   5.021
   68   2HB   CYS   7          HB1       CYS   7  -2.226   7.711   4.220
   69    HG   CYS   7           HG       CYS   7  -4.938   8.812   5.277
   70    H    ASP   8           HN       ASP   8  -5.221   9.371   2.889
   71    HA   ASP   8           HA       ASP   8  -4.565  10.223   0.305
   72   1HB   ASP   8          HB1       ASP   8  -5.933  11.354   2.643
   73   2HB   ASP   8          HB2       ASP   8  -5.153  12.564   1.628
   74    H    CYS   9           HN       CYS   9  -2.901  10.551   3.317
   75    HA   CYS   9           HA       CYS   9  -1.121  12.645   2.505
   76   1HB   CYS   9          HB1       CYS   9  -1.648  12.058   4.890
   77   2HB   CYS   9          HB2       CYS   9  -0.723  10.575   4.676
   78    HG   CYS   9           HG       CYS   9   1.078  12.020   5.560
   79    H    GLY  10           HN       GLY  10  -1.536   9.715   1.257
   80   1HA   GLY  10          HA2       GLY  10  -0.200   8.611  -0.308
   81   2HA   GLY  10          HA1       GLY  10   1.180   9.554   0.239
   82    H    ARG  11           HN       ARG  11  -0.596   8.245   2.781
   83    HA   ARG  11           HA       ARG  11   1.579   6.453   3.449
   84   1HB   ARG  11          HB1       ARG  11  -0.966   6.755   5.020
   85   2HB   ARG  11          HB2       ARG  11   0.633   6.303   5.596
   86   1HG   ARG  11          HG1       ARG  11   1.169   8.758   4.650
   87   2HG   ARG  11          HG2       ARG  11  -0.523   8.967   5.107
   88   1HD   ARG  11          HD1       ARG  11   0.145   9.254   7.205
   89   2HD   ARG  11          HD2       ARG  11   0.654   7.565   7.220
   90    HE   ARG  11           HE       ARG  11   2.632   9.264   6.068
   91   1HH1  ARG  11          HH11      ARG  11   1.298   8.171   9.098
   92   2HH1  ARG  11          HH12      ARG  11   2.758   8.450   9.987
   93   1HH2  ARG  11          HH22      ARG  11   4.557   9.632   7.233
   94   2HH2  ARG  11          HH21      ARG  11   4.610   9.279   8.928
   95    H    ALA  12           HN       ALA  12   0.156   4.523   4.907
   96    HA   ALA  12           HA       ALA  12  -1.668   3.148   3.148
   97   1HB   ALA  12          HB1       ALA  12   0.186   2.352   2.007
   98   2HB   ALA  12          HB2       ALA  12  -0.111   1.080   3.190
   99   3HB   ALA  12          HB3       ALA  12   1.170   2.259   3.468
  100    H    LEU  13           HN       LEU  13  -2.700   1.340   4.181
  101    HA   LEU  13           HA       LEU  13  -1.928   0.776   6.933
  102   1HB   LEU  13          HB1       LEU  13  -4.442   2.186   6.164
  103   2HB   LEU  13          HB2       LEU  13  -4.474   1.072   7.515
  104    HG   LEU  13           HG       LEU  13  -2.339   3.140   7.513
  105   1HD1  LEU  13          HD21      LEU  13  -4.998   3.933   8.576
  106   2HD1  LEU  13          HD22      LEU  13  -4.698   4.109   6.846
  107   3HD1  LEU  13          HD23      LEU  13  -3.660   4.932   8.010
  108   1HD2  LEU  13          HD11      LEU  13  -2.121   2.214   9.521
  109   2HD2  LEU  13          HD12      LEU  13  -3.644   1.341   9.358
  110   3HD2  LEU  13          HD13      LEU  13  -3.638   2.998   9.963
  111    H    TYR  14           HN       TYR  14  -3.890  -0.724   7.863
  112    HA   TYR  14           HA       TYR  14  -4.598  -2.705   5.810
  113   1HB   TYR  14          HB2       TYR  14  -3.879  -4.525   7.360
  114   2HB   TYR  14          HB1       TYR  14  -2.546  -3.549   6.755
  115    HD1  TYR  14           HD1      TYR  14  -4.557  -4.398   9.702
  116    HD2  TYR  14           HD2      TYR  14  -1.270  -2.128   8.240
  117    HE1  TYR  14           HE1      TYR  14  -3.823  -3.986  12.012
  118    HE2  TYR  14           HE2      TYR  14  -0.526  -1.709  10.548
  119    HH   TYR  14           HH       TYR  14  -1.732  -3.413  13.205
  120    H    SER  15           HN       SER  15  -6.509  -3.800   6.197
  121    HA   SER  15           HA       SER  15  -7.834  -3.640   8.757
  122   1HB   SER  15          HB1       SER  15  -8.393  -1.462   7.589
  123   2HB   SER  15          HB2       SER  15  -9.240  -2.419   6.374
  124    HG   SER  15           HG       SER  15 -10.492  -1.557   8.236
  125    H    ARG  16           HN       ARG  16 -10.361  -4.388   8.102
  126    HA   ARG  16           HA       ARG  16  -9.989  -7.101   7.307
  127   1HB   ARG  16          HB2       ARG  16 -12.168  -5.450   8.394
  128   2HB   ARG  16          HB1       ARG  16 -12.690  -6.769   7.351
  129   1HG   ARG  16          HG2       ARG  16 -12.044  -8.360   8.808
  130   2HG   ARG  16          HG1       ARG  16 -10.674  -7.425   9.400
  131   1HD   ARG  16          HD1       ARG  16 -13.558  -6.845  10.050
  132   2HD   ARG  16          HD2       ARG  16 -12.458  -7.745  11.092
  133    HE   ARG  16           HE       ARG  16 -11.199  -5.739  11.416
  134   1HH1  ARG  16          HH11      ARG  16 -14.215  -5.310   9.722
  135   2HH1  ARG  16          HH12      ARG  16 -14.308  -3.613  10.054
  136   1HH2  ARG  16          HH21      ARG  16 -11.315  -3.505  11.857
  137   2HH2  ARG  16          HH22      ARG  16 -12.660  -2.586  11.267
  138    H    GLU  17           HN       GLU  17 -10.722  -8.159   5.495
  139    HA   GLU  17           HA       GLU  17 -10.598  -6.838   3.055
  140   1HB   GLU  17          HB1       GLU  17 -10.211  -9.235   3.271
  141   2HB   GLU  17          HB2       GLU  17 -11.891  -9.490   3.718
  142   1HG   GLU  17          HG2       GLU  17 -12.590  -8.722   1.499
  143   2HG   GLU  17          HG1       GLU  17 -10.899  -8.495   1.055
  144    H    GLY  18           HN       GLY  18 -11.942  -5.238   2.488
  145   1HA   GLY  18          HA2       GLY  18 -14.284  -5.281   1.376
  146   2HA   GLY  18          HA1       GLY  18 -14.815  -5.548   3.030
  147    H    ALA  19           HN       ALA  19 -12.184  -3.648   3.329
  148    HA   ALA  19           HA       ALA  19 -13.755  -1.320   3.905
  149   1HB   ALA  19          HB1       ALA  19 -11.879  -0.452   4.922
  150   2HB   ALA  19          HB2       ALA  19 -10.773  -1.273   3.821
  151   3HB   ALA  19          HB3       ALA  19 -11.601  -2.185   5.082
  152    H    LYS  20           HN       LYS  20 -14.426   0.050   2.403
  153    HA   LYS  20           HA       LYS  20 -13.010   0.270  -0.131
  154   1HB   LYS  20          HB2       LYS  20 -15.686   1.120   0.892
  155   2HB   LYS  20          HB1       LYS  20 -15.003   1.980  -0.482
  156   1HG   LYS  20          HG2       LYS  20 -16.245   0.357  -1.522
  157   2HG   LYS  20          HG1       LYS  20 -14.657  -0.409  -1.455
  158   1HD   LYS  20          HD2       LYS  20 -15.932  -2.123  -0.652
  159   2HD   LYS  20          HD1       LYS  20 -15.582  -1.287   0.863
  160   1HE   LYS  20          HE2       LYS  20 -17.956  -1.894   0.657
  161   2HE   LYS  20          HE1       LYS  20 -17.715  -0.151   0.770
  162   1HZ   LYS  20          HZ1       LYS  20 -18.534  -1.761  -1.553
  163   2HZ   LYS  20          HZ2       LYS  20 -17.756  -0.278  -1.796
  164   3HZ   LYS  20          HZ3       LYS  20 -19.216  -0.337  -0.944
  165    H    THR  21           HN       THR  21 -13.986   2.327   2.582
  166    HA   THR  21           HA       THR  21 -11.750   4.101   1.984
  167    HB   THR  21           HB       THR  21 -13.394   6.056   2.486
  168    HG1  THR  21           HG1      THR  21 -15.281   5.120   2.915
  169   1HG2  THR  21          HG21      THR  21 -12.313   5.299   0.217
  170   2HG2  THR  21          HG22      THR  21 -13.562   6.543   0.277
  171   3HG2  THR  21          HG23      THR  21 -13.984   4.889  -0.170
  172    H    ARG  22           HN       ARG  22 -10.615   4.211   3.778
  173    HA   ARG  22           HA       ARG  22 -11.878   3.770   6.359
  174   1HB   ARG  22          HB1       ARG  22  -9.247   3.392   5.242
  175   2HB   ARG  22          HB2       ARG  22  -9.141   4.353   6.711
  176   1HG   ARG  22          HG1       ARG  22 -10.918   2.170   7.166
  177   2HG   ARG  22          HG2       ARG  22  -9.417   1.559   6.465
  178   1HD   ARG  22          HD2       ARG  22  -8.113   2.523   8.194
  179   2HD   ARG  22          HD1       ARG  22  -9.475   3.475   8.784
  180    HE   ARG  22           HE       ARG  22 -10.209   0.808   8.973
  181   1HH1  ARG  22          HH22      ARG  22  -7.794   2.926  10.325
  182   2HH1  ARG  22          HH21      ARG  22  -7.677   2.050  11.815
  183   1HH2  ARG  22          HH11      ARG  22 -10.061  -0.349  10.931
  184   2HH2  ARG  22          HH12      ARG  22  -8.966   0.190  12.159
  185    H    LYS  23           HN       LYS  23 -10.309   5.241   8.057
  186    HA   LYS  23           HA       LYS  23 -10.430   8.024   7.233
  187   1HB   LYS  23          HB1       LYS  23 -12.702   7.545   8.060
  188   2HB   LYS  23          HB2       LYS  23 -12.027   6.984   9.584
  189   1HG   LYS  23          HG1       LYS  23 -11.247   9.176  10.126
  190   2HG   LYS  23          HG2       LYS  23 -11.680   9.778   8.524
  191   1HD   LYS  23          HD1       LYS  23 -13.933   8.532   9.851
  192   2HD   LYS  23          HD2       LYS  23 -13.257   9.850  10.809
  193   1HE   LYS  23          HE2       LYS  23 -14.007  10.072   7.898
  194   2HE   LYS  23          HE1       LYS  23 -15.052  10.555   9.234
  195   1HZ   LYS  23          HZ1       LYS  23 -13.806  12.375   9.677
  196   2HZ   LYS  23          HZ2       LYS  23 -13.436  12.241   8.031
  197   3HZ   LYS  23          HZ3       LYS  23 -12.352  11.658   9.191
  198    H    CYS  24           HN       CYS  24  -9.039   9.322   8.330
  199    HA   CYS  24           HA       CYS  24  -7.237   7.979  10.201
  200   1HB   CYS  24          HB2       CYS  24  -6.544   9.349   8.053
  201   2HB   CYS  24          HB1       CYS  24  -6.725  10.727   9.134
  202    HG   CYS  24           HG       CYS  24  -4.344  10.172   9.558
  203    H    VAL  25           HN       VAL  25  -7.334   8.382  12.297
  204    HA   VAL  25           HA       VAL  25  -9.253  10.145  13.402
  205    HB   VAL  25           HB       VAL  25  -6.940   9.108  14.998
  206   1HG1  VAL  25          HG11      VAL  25  -9.731   9.962  15.475
  207   2HG1  VAL  25          HG12      VAL  25  -8.293  10.166  16.477
  208   3HG1  VAL  25          HG13      VAL  25  -9.136   8.615  16.447
  209   1HG2  VAL  25          HG21      VAL  25  -8.429   7.478  13.287
  210   2HG2  VAL  25          HG22      VAL  25  -9.113   7.220  14.893
  211   3HG2  VAL  25          HG23      VAL  25  -7.391   6.964  14.617
  212    H    CYS  26           HN       CYS  26  -5.959  10.514  12.470
  213    HA   CYS  26           HA       CYS  26  -5.323  12.763  14.092
  214   1HB   CYS  26          HB2       CYS  26  -3.625  11.313  12.982
  215   2HB   CYS  26          HB1       CYS  26  -4.126  11.970  11.428
  216    HG   CYS  26           HG       CYS  26  -2.579  13.559  13.596
  217    H    GLY  27           HN       GLY  27  -7.202  12.328  11.257
  218   1HA   GLY  27          HA1       GLY  27  -8.735  14.225  10.810
  219   2HA   GLY  27          HA2       GLY  27  -7.316  15.258  10.889
  220    H    ARG  28           HN       ARG  28  -8.484  12.386   9.130
  221    HA   ARG  28           HA       ARG  28  -8.197  13.594   6.582
  222   1HB   ARG  28          HB2       ARG  28  -5.886  12.162   7.696
  223   2HB   ARG  28          HB1       ARG  28  -6.377  11.593   6.106
  224   1HG   ARG  28          HG1       ARG  28  -6.225  13.899   5.261
  225   2HG   ARG  28          HG2       ARG  28  -5.667  14.419   6.853
  226   1HD   ARG  28          HD2       ARG  28  -4.261  12.249   5.331
  227   2HD   ARG  28          HD1       ARG  28  -3.907  13.952   5.039
  228    HE   ARG  28           HE       ARG  28  -3.231  12.406   7.399
  229   1HH1  ARG  28          HH11      ARG  28  -3.485  15.552   5.921
  230   2HH1  ARG  28          HH12      ARG  28  -2.399  16.307   7.040
  231   1HH2  ARG  28          HH21      ARG  28  -1.803  13.392   8.876
  232   2HH2  ARG  28          HH22      ARG  28  -1.443  15.080   8.719
  233    H    THR  29           HN       THR  29  -7.866  11.475   4.938
  234    HA   THR  29           HA       THR  29  -9.660   9.350   5.845
  235    HB   THR  29           HB       THR  29 -10.090  10.931   3.300
  236    HG1  THR  29           HG1      THR  29 -12.225  11.097   4.640
  237   1HG2  THR  29          HG21      THR  29 -10.851   8.304   3.861
  238   2HG2  THR  29          HG22      THR  29 -11.420   9.339   2.551
  239   3HG2  THR  29          HG23      THR  29 -12.298   9.289   4.080
  240    H    VAL  30           HN       VAL  30  -9.035   7.391   5.151
  241    HA   VAL  30           HA       VAL  30  -6.761   7.274   3.312
  242    HB   VAL  30           HB       VAL  30  -7.883   5.089   5.066
  243   1HG1  VAL  30          HG21      VAL  30  -6.021   3.803   4.507
  244   2HG1  VAL  30          HG22      VAL  30  -5.140   5.188   3.860
  245   3HG1  VAL  30          HG23      VAL  30  -6.509   4.519   2.970
  246   1HG2  VAL  30          HG11      VAL  30  -5.767   5.574   6.396
  247   2HG2  VAL  30          HG12      VAL  30  -7.082   6.741   6.537
  248   3HG2  VAL  30          HG13      VAL  30  -5.694   7.097   5.510
  249    H    ASN  31           HN       ASN  31  -7.241   6.991   1.250
  250    HA   ASN  31           HA       ASN  31  -9.654   5.536   0.482
  251   1HB   ASN  31          HB1       ASN  31  -8.822   7.810  -0.512
  252   2HB   ASN  31          HB2       ASN  31  -7.763   6.789  -1.480
  253   1HD2  ASN  31          HD21      ASN  31  -9.980   8.508  -2.284
  254   2HD2  ASN  31          HD22      ASN  31 -11.090   7.488  -3.129
  255    H    VAL  32           HN       VAL  32  -9.574   3.433   0.022
  256    HA   VAL  32           HA       VAL  32  -7.129   2.006  -0.194
  257    HB   VAL  32           HB       VAL  32  -8.380   0.047  -0.476
  258   1HG1  VAL  32          HG11      VAL  32 -10.552   1.260   1.007
  259   2HG1  VAL  32          HG12      VAL  32  -8.976   1.843   1.543
  260   3HG1  VAL  32          HG13      VAL  32  -9.323   0.113   1.539
  261   1HG2  VAL  32          HG21      VAL  32 -10.662  -0.086  -1.206
  262   2HG2  VAL  32          HG22      VAL  32  -9.737   0.833  -2.394
  263   3HG2  VAL  32          HG23      VAL  32 -10.792   1.674  -1.258
  264    H    LYS  33           HN       LYS  33  -7.433   0.227  -2.268
  265    HA   LYS  33           HA       LYS  33  -6.252   1.576  -4.405
  266   1HB   LYS  33          HB2       LYS  33  -6.891  -1.102  -3.748
  267   2HB   LYS  33          HB1       LYS  33  -7.552  -0.803  -5.349
  268   1HG   LYS  33          HG1       LYS  33  -5.135   0.266  -5.698
  269   2HG   LYS  33          HG2       LYS  33  -4.743  -0.913  -4.444
  270   1HD   LYS  33          HD1       LYS  33  -5.856  -2.658  -5.842
  271   2HD   LYS  33          HD2       LYS  33  -6.017  -1.452  -7.122
  272   1HE   LYS  33          HE2       LYS  33  -3.690  -1.289  -7.409
  273   2HE   LYS  33          HE1       LYS  33  -3.363  -2.106  -5.882
  274   1HZ   LYS  33          HZ1       LYS  33  -3.534  -4.105  -6.831
  275   2HZ   LYS  33          HZ2       LYS  33  -3.335  -3.289  -8.300
  276   3HZ   LYS  33          HZ3       LYS  33  -4.888  -3.680  -7.753
  277    H    ASP  34           HN       ASP  34  -7.289   1.034  -6.756
  278    HA   ASP  34           HA       ASP  34  -9.675   2.699  -6.841
  279   1HB   ASP  34          HB1       ASP  34  -7.769   3.175  -8.356
  280   2HB   ASP  34          HB2       ASP  34  -7.998   1.601  -9.111
  281    H    ARG  35           HN       ARG  35  -8.606  -0.506  -7.917
  282    HA   ARG  35           HA       ARG  35 -11.307  -1.221  -8.710
  283   1HB   ARG  35          HB2       ARG  35  -8.616  -2.320  -9.117
  284   2HB   ARG  35          HB1       ARG  35  -9.846  -3.544  -8.828
  285   1HG   ARG  35          HG2       ARG  35  -9.640  -3.207 -11.183
  286   2HG   ARG  35          HG1       ARG  35 -11.193  -2.552 -10.657
  287   1HD   ARG  35          HD1       ARG  35  -9.848  -0.320 -10.452
  288   2HD   ARG  35          HD2       ARG  35  -8.735  -1.119 -11.563
  289    HE   ARG  35           HE       ARG  35 -10.233  -0.737 -13.234
  290   1HH1  ARG  35          HH11      ARG  35 -11.932  -0.617 -10.193
  291   2HH1  ARG  35          HH12      ARG  35 -13.438  -0.146 -10.906
  292   1HH2  ARG  35          HH21      ARG  35 -12.212  -0.116 -14.181
  293   2HH2  ARG  35          HH22      ARG  35 -13.597   0.139 -13.173
  294    H    ARG  36           HN       ARG  36  -9.529  -3.776  -7.284
  295    HA   ARG  36           HA       ARG  36 -11.546  -4.139  -5.268
  296   1HB   ARG  36          HB2       ARG  36  -8.981  -5.702  -5.558
  297   2HB   ARG  36          HB1       ARG  36 -10.478  -6.220  -4.793
  298   1HG   ARG  36          HG1       ARG  36 -11.557  -6.030  -7.070
  299   2HG   ARG  36          HG2       ARG  36  -9.927  -5.852  -7.721
  300   1HD   ARG  36          HD1       ARG  36  -9.291  -8.007  -6.851
  301   2HD   ARG  36          HD2       ARG  36 -10.846  -8.176  -6.038
  302    HE   ARG  36           HE       ARG  36 -11.862  -8.607  -8.101
  303   1HH1  ARG  36          HH21      ARG  36  -8.447  -7.992  -8.435
  304   2HH1  ARG  36          HH22      ARG  36  -8.356  -8.638 -10.039
  305   1HH2  ARG  36          HH12      ARG  36 -11.751  -9.461 -10.212
  306   2HH2  ARG  36          HH11      ARG  36 -10.234  -9.474 -11.050
  307    H    ILE  37           HN       ILE  37  -8.184  -4.735  -4.531
  308    HA   ILE  37           HA       ILE  37  -7.963  -2.485  -2.720
  309    HB   ILE  37           HB       ILE  37  -8.823  -5.090  -1.791
  310   1HG1  ILE  37          HG12      ILE  37  -9.695  -2.757  -1.247
  311   2HG1  ILE  37          HG11      ILE  37  -9.528  -3.872   0.106
  312   1HG2  ILE  37          HG21      ILE  37  -6.404  -4.000  -0.364
  313   2HG2  ILE  37          HG22      ILE  37  -6.369  -5.388  -1.453
  314   3HG2  ILE  37          HG23      ILE  37  -7.323  -5.455   0.027
  315   1HD1  ILE  37          HD11      ILE  37  -7.261  -2.762   0.497
  316   2HD1  ILE  37          HD12      ILE  37  -8.713  -1.848   0.906
  317   3HD1  ILE  37          HD13      ILE  37  -7.842  -1.501  -0.588
  318    H    PHE  38           HN       PHE  38  -5.826  -2.288  -1.807
  319    HA   PHE  38           HA       PHE  38  -3.795  -3.457  -3.542
  320   1HB   PHE  38          HB1       PHE  38  -3.837  -0.995  -3.041
  321   2HB   PHE  38          HB2       PHE  38  -3.465  -1.379  -1.364
  322    HD1  PHE  38           HD1      PHE  38  -2.147  -0.910  -4.679
  323    HD2  PHE  38           HD2      PHE  38  -1.286  -2.459  -0.811
  324    HE1  PHE  38           HE1      PHE  38   0.257  -0.877  -5.203
  325    HE2  PHE  38           HE2      PHE  38   1.116  -2.429  -1.327
  326    HZ   PHE  38           HZ       PHE  38   1.891  -1.636  -3.523
  327    H    GLY  39           HN       GLY  39  -2.095  -4.709  -2.796
  328   1HA   GLY  39          HA1       GLY  39  -1.210  -6.433  -1.555
  329   2HA   GLY  39          HA2       GLY  39  -1.263  -5.245  -0.263
  330    H    ARG  40           HN       ARG  40  -2.696  -8.099  -1.587
  331    HA   ARG  40           HA       ARG  40  -4.815  -8.109   0.412
  332   1HB   ARG  40          HB1       ARG  40  -4.601  -9.178  -2.169
  333   2HB   ARG  40          HB2       ARG  40  -4.589 -10.567  -1.088
  334   1HG   ARG  40          HG1       ARG  40  -6.628  -8.417  -0.742
  335   2HG   ARG  40          HG2       ARG  40  -6.844  -9.661  -1.977
  336   1HD   ARG  40          HD1       ARG  40  -6.056 -10.891   0.479
  337   2HD   ARG  40          HD2       ARG  40  -7.417  -9.813   0.784
  338    HE   ARG  40           HE       ARG  40  -7.501 -12.306  -0.566
  339   1HH1  ARG  40          HH12      ARG  40  -8.904  -9.115  -0.565
  340   2HH1  ARG  40          HH11      ARG  40 -10.398  -9.632  -1.269
  341   1HH2  ARG  40          HH22      ARG  40  -9.467 -12.994  -1.493
  342   2HH2  ARG  40          HH21      ARG  40 -10.719 -11.836  -1.797
  343    H    ALA  41           HN       ALA  41  -3.833  -8.395   2.328
  344    HA   ALA  41           HA       ALA  41  -1.958 -10.615   2.656
  345   1HB   ALA  41          HB1       ALA  41  -1.574  -9.588   4.906
  346   2HB   ALA  41          HB2       ALA  41  -2.660  -8.281   4.423
  347   3HB   ALA  41          HB3       ALA  41  -1.161  -8.557   3.534
  348    H    ASP  42           HN       ASP  42  -2.621 -12.498   3.433
  349    HA   ASP  42           HA       ASP  42  -5.256 -12.759   4.595
  350   1HB   ASP  42          HB1       ASP  42  -3.954 -15.218   4.823
  351   2HB   ASP  42          HB2       ASP  42  -5.072 -14.735   3.552
  352    H    ASP  43           HN       ASP  43  -1.891 -12.998   5.596
  353    HA   ASP  43           HA       ASP  43  -2.634 -13.708   8.318
  354   1HB   ASP  43          HB2       ASP  43  -0.172 -13.741   6.717
  355   2HB   ASP  43          HB1       ASP  43   0.066 -13.210   8.378
  356    H    PHE  44           HN       PHE  44  -2.571 -12.362  10.050
  357    HA   PHE  44           HA       PHE  44  -2.883  -9.607   9.698
  358   1HB   PHE  44          HB2       PHE  44  -1.841 -10.297  12.338
  359   2HB   PHE  44          HB1       PHE  44  -3.386  -9.586  11.891
  360    HD1  PHE  44           HD1      PHE  44  -1.627 -12.619  12.777
  361    HD2  PHE  44           HD2      PHE  44  -5.299 -11.031  11.328
  362    HE1  PHE  44           HE1      PHE  44  -2.753 -14.736  13.325
  363    HE2  PHE  44           HE2      PHE  44  -6.433 -13.147  11.873
  364    HZ   PHE  44           HZ       PHE  44  -5.160 -15.002  12.873
  365    H    GLU  45           HN       GLU  45  -0.040 -11.507  10.584
  366    HA   GLU  45           HA       GLU  45   1.681  -9.320  11.077
  367   1HB   GLU  45          HB2       GLU  45   1.874 -11.986  11.462
  368   2HB   GLU  45          HB1       GLU  45   2.862 -11.820  10.016
  369   1HG   GLU  45          HG2       GLU  45   4.377 -10.377  11.092
  370   2HG   GLU  45          HG1       GLU  45   3.286 -10.126  12.456
  371    H    GLU  46           HN       GLU  46   0.850 -11.119   8.174
  372    HA   GLU  46           HA       GLU  46   2.873 -10.031   6.514
  373   1HB   GLU  46          HB1       GLU  46   0.317 -11.508   6.066
  374   2HB   GLU  46          HB2       GLU  46   1.056 -10.684   4.699
  375   1HG   GLU  46          HG1       GLU  46   3.203 -11.971   5.610
  376   2HG   GLU  46          HG2       GLU  46   1.954 -13.070   6.194
  377    H    ALA  47           HN       ALA  47  -0.341  -8.985   7.424
  378    HA   ALA  47           HA       ALA  47  -0.752  -7.015   5.472
  379   1HB   ALA  47          HB1       ALA  47  -2.670  -6.749   6.560
  380   2HB   ALA  47          HB2       ALA  47  -1.833  -6.220   8.019
  381   3HB   ALA  47          HB3       ALA  47  -2.105  -7.939   7.733
  382    H    SER  48           HN       SER  48   0.595  -6.726   8.754
  383    HA   SER  48           HA       SER  48   1.175  -3.994   8.650
  384   1HB   SER  48          HB2       SER  48   1.875  -6.264  10.377
  385   2HB   SER  48          HB1       SER  48   3.096  -4.992  10.342
  386    HG   SER  48           HG       SER  48   0.758  -3.798  10.531
  387    H    GLU  49           HN       GLU  49   3.097  -6.792   7.664
  388    HA   GLU  49           HA       GLU  49   5.488  -5.363   7.205
  389   1HB   GLU  49          HB1       GLU  49   6.355  -7.363   6.554
  390   2HB   GLU  49          HB2       GLU  49   4.940  -7.957   7.400
  391   1HG   GLU  49          HG2       GLU  49   3.872  -8.571   5.470
  392   2HG   GLU  49          HG1       GLU  49   4.750  -7.403   4.482
  393    H    LEU  50           HN       LEU  50   2.737  -6.170   5.169
  394    HA   LEU  50           HA       LEU  50   3.865  -5.282   2.725
  395   1HB   LEU  50          HB1       LEU  50   1.398  -6.389   3.617
  396   2HB   LEU  50          HB2       LEU  50   1.035  -4.936   2.707
  397    HG   LEU  50           HG       LEU  50   2.523  -7.375   1.737
  398   1HD1  LEU  50          HD11      LEU  50   0.700  -7.554   0.164
  399   2HD1  LEU  50          HD12      LEU  50  -0.020  -6.067   0.787
  400   3HD1  LEU  50          HD13      LEU  50   0.063  -7.502   1.808
  401   1HD2  LEU  50          HD21      LEU  50   1.983  -5.475  -0.329
  402   2HD2  LEU  50          HD22      LEU  50   3.523  -6.178   0.161
  403   3HD2  LEU  50          HD23      LEU  50   2.939  -4.706   0.938
  404    H    VAL  51           HN       VAL  51   1.859  -3.724   5.181
  405    HA   VAL  51           HA       VAL  51   1.466  -1.284   3.823
  406    HB   VAL  51           HB       VAL  51   1.517  -1.840   6.792
  407   1HG1  VAL  51          HG21      VAL  51   1.838   0.565   6.124
  408   2HG1  VAL  51          HG22      VAL  51   0.431   0.240   7.135
  409   3HG1  VAL  51          HG23      VAL  51   0.231   0.497   5.402
  410   1HG2  VAL  51          HG11      VAL  51  -0.297  -3.047   6.220
  411   2HG2  VAL  51          HG12      VAL  51  -0.490  -2.220   4.674
  412   3HG2  VAL  51          HG13      VAL  51  -1.078  -1.467   6.157
  413    H    ARG  52           HN       ARG  52   3.952  -2.396   6.089
  414    HA   ARG  52           HA       ARG  52   5.307   0.069   6.357
  415   1HB   ARG  52          HB1       ARG  52   5.579  -2.526   7.383
  416   2HB   ARG  52          HB2       ARG  52   7.081  -2.220   6.522
  417   1HG   ARG  52          HG1       ARG  52   7.311  -0.102   7.806
  418   2HG   ARG  52          HG2       ARG  52   5.894  -0.579   8.747
  419   1HD   ARG  52          HD2       ARG  52   7.957  -2.645   8.554
  420   2HD   ARG  52          HD1       ARG  52   8.484  -1.178   9.378
  421    HE   ARG  52           HE       ARG  52   6.119  -2.744  10.187
  422   1HH1  ARG  52          HH21      ARG  52   8.924  -0.817  10.935
  423   2HH1  ARG  52          HH22      ARG  52   8.686  -0.905  12.649
  424   1HH2  ARG  52          HH12      ARG  52   5.799  -2.866  12.441
  425   2HH2  ARG  52          HH11      ARG  52   6.912  -2.070  13.504
  426    H    LYS  53           HN       LYS  53   5.548  -2.572   4.045
  427    HA   LYS  53           HA       LYS  53   7.875  -1.634   2.710
  428   1HB   LYS  53          HB1       LYS  53   5.954  -3.765   2.385
  429   2HB   LYS  53          HB2       LYS  53   6.249  -2.982   0.838
  430   1HG   LYS  53          HG2       LYS  53   8.734  -3.264   1.381
  431   2HG   LYS  53          HG1       LYS  53   8.196  -4.392   2.628
  432   1HD   LYS  53          HD1       LYS  53   6.948  -5.633   0.851
  433   2HD   LYS  53          HD2       LYS  53   7.714  -4.583  -0.342
  434   1HE   LYS  53          HE1       LYS  53   9.086  -6.478   1.558
  435   2HE   LYS  53          HE2       LYS  53   8.947  -6.647  -0.191
  436   1HZ   LYS  53          HZ1       LYS  53  10.866  -5.575  -0.328
  437   2HZ   LYS  53          HZ2       LYS  53  10.866  -5.201   1.321
  438   3HZ   LYS  53          HZ3       LYS  53  10.087  -4.178   0.222
  439    H    LEU  54           HN       LEU  54   4.478  -0.925   2.570
  440    HA   LEU  54           HA       LEU  54   4.436   0.530   0.138
  441   1HB   LEU  54          HB1       LEU  54   2.656   0.083   2.409
  442   2HB   LEU  54          HB2       LEU  54   2.464   1.645   1.635
  443    HG   LEU  54           HG       LEU  54   2.451  -0.896   0.031
  444   1HD1  LEU  54          HD21      LEU  54   0.739  -0.517   2.045
  445   2HD1  LEU  54          HD22      LEU  54   0.377  -1.400   0.563
  446   3HD1  LEU  54          HD23      LEU  54  -0.107   0.288   0.723
  447   1HD2  LEU  54          HD11      LEU  54   0.680   1.055  -0.931
  448   2HD2  LEU  54          HD12      LEU  54   2.212   0.549  -1.645
  449   3HD2  LEU  54          HD13      LEU  54   2.169   1.905  -0.516
  450    H    GLN  55           HN       GLN  55   5.272   1.285   3.435
  451    HA   GLN  55           HA       GLN  55   5.130   4.088   3.287
  452   1HB   GLN  55          HB1       GLN  55   6.527   2.157   5.101
  453   2HB   GLN  55          HB2       GLN  55   6.848   3.879   5.242
  454   1HG   GLN  55          HG2       GLN  55   4.214   2.476   5.591
  455   2HG   GLN  55          HG1       GLN  55   5.167   3.307   6.820
  456   1HE2  GLN  55          HE22      GLN  55   5.798   5.649   5.751
  457   2HE2  GLN  55          HE21      GLN  55   4.387   6.562   5.351
  458    H    GLU  56           HN       GLU  56   7.469   5.153   4.089
  459    HA   GLU  56           HA       GLU  56   8.948   5.275   1.634
  460   1HB   GLU  56          HB2       GLU  56   8.752   6.824   4.097
  461   2HB   GLU  56          HB1       GLU  56  10.409   6.684   3.526
  462   1HG   GLU  56          HG1       GLU  56   8.277   7.444   1.594
  463   2HG   GLU  56          HG2       GLU  56   8.869   8.646   2.741
  464    H    GLU  57           HN       GLU  57   9.804   3.165   1.437
  465    HA   GLU  57           HA       GLU  57  11.555   2.093   3.447
  466   1HB   GLU  57          HB1       GLU  57  10.129   0.902   1.544
  467   2HB   GLU  57          HB2       GLU  57  11.622   1.100   0.637
  468   1HG   GLU  57          HG2       GLU  57  12.805  -0.040   2.535
  469   2HG   GLU  57          HG1       GLU  57  11.214  -0.413   3.200
  470    H    LYS  58           HN       LYS  58  13.815   1.372   2.747
  471    HA   LYS  58           HA       LYS  58  15.274   3.723   2.005
  472   1HB   LYS  58          HB1       LYS  58  16.134   2.326   3.777
  473   2HB   LYS  58          HB2       LYS  58  16.176   0.928   2.712
  474   1HG   LYS  58          HG1       LYS  58  17.917   1.965   1.380
  475   2HG   LYS  58          HG2       LYS  58  17.845   3.414   2.385
  476   1HD   LYS  58          HD1       LYS  58  18.235   0.930   3.886
  477   2HD   LYS  58          HD2       LYS  58  19.549   1.314   2.773
  478   1HE   LYS  58          HE2       LYS  58  18.852   3.717   4.069
  479   2HE   LYS  58          HE1       LYS  58  18.939   2.473   5.317
  480   1HZ   LYS  58          HZ1       LYS  58  21.079   3.524   4.988
  481   2HZ   LYS  58          HZ2       LYS  58  21.070   3.108   3.348
  482   3HZ   LYS  58          HZ3       LYS  58  21.156   1.898   4.527
  483    H    TYR  59           HN       TYR  59  16.180   4.205   0.105
  484    HA   TYR  59           HA       TYR  59  15.689   2.416  -2.140
  485   1HB   TYR  59          HB2       TYR  59  16.436   5.306  -1.864
  486   2HB   TYR  59          HB1       TYR  59  16.728   4.477  -3.389
  487    HD1  TYR  59           HD1      TYR  59  13.995   5.025  -0.900
  488    HD2  TYR  59           HD2      TYR  59  15.054   4.473  -4.984
  489    HE1  TYR  59           HE1      TYR  59  11.657   5.416  -1.554
  490    HE2  TYR  59           HE2      TYR  59  12.719   4.862  -5.648
  491    HH   TYR  59           HH       TYR  59  10.372   6.093  -3.481
  492    H    GLY  60           HN       GLY  60  18.362   3.838  -0.356
  493   1HA   GLY  60          HA2       GLY  60  20.245   2.004  -0.458
  494   2HA   GLY  60          HA1       GLY  60  20.309   2.557  -2.126
  495    H    SER  61           HN       SER  61  20.111   4.077   1.097
  496    HA   SER  61           HA       SER  61  21.899   6.189   0.207
  497   1HB   SER  61          HB2       SER  61  21.201   6.254   3.030
  498   2HB   SER  61          HB1       SER  61  20.875   7.442   1.769
  499    HG   SER  61           HG       SER  61  19.001   6.383   2.799
  500    H    CYS  62           HN       CYS  62  23.987   6.409   0.761
  501    HA   CYS  62           HA       CYS  62  25.200   4.242   2.307
  502   1HB   CYS  62          HB1       CYS  62  25.979   5.730  -0.001
  503   2HB   CYS  62          HB2       CYS  62  27.164   6.026   1.267
  504    HG   CYS  62           HG       CYS  62  28.129   3.858   0.714
  505    H    HIS  63           HN       HIS  63  23.941   7.168   2.955
  506    HA   HIS  63           HA       HIS  63  25.901   7.708   5.088
  507   1HB   HIS  63          HB2       HIS  63  24.914   9.451   3.046
  508   2HB   HIS  63          HB1       HIS  63  24.337  10.033   4.604
  509    HD2  HIS  63           HD2      HIS  63  26.151  12.205   4.114
  510    HE1  HIS  63           HE1      HIS  63  29.523   9.855   5.131
  511    HE2  HIS  63           HE2      HIS  63  28.675  12.209   4.716
  512    H    PHE  64           HN       PHE  64  24.971   8.758   7.021
  513    HA   PHE  64           HA       PHE  64  22.548   7.390   7.802
  514   1HB   PHE  64          HB1       PHE  64  24.856   8.356   9.127
  515   2HB   PHE  64          HB2       PHE  64  23.482   9.222   9.806
  516    HD1  PHE  64           HD1      PHE  64  22.679   8.310  11.737
  517    HD2  PHE  64           HD2      PHE  64  24.167   5.716   8.709
  518    HE1  PHE  64           HE1      PHE  64  22.141   6.365  13.144
  519    HE2  PHE  64           HE2      PHE  64  23.632   3.766  10.111
  520    HZ   PHE  64           HZ       PHE  64  22.618   4.090  12.333
  521    H    THR  65           HN       THR  65  21.953   9.194   5.820
  522    HA   THR  65           HA       THR  65  20.816  11.540   7.147
  523    HB   THR  65           HB       THR  65  21.950  12.126   5.154
  524    HG1  THR  65           HG1      THR  65  19.933  12.447   3.688
  525   1HG2  THR  65          HG21      THR  65  21.032  11.082   2.937
  526   2HG2  THR  65          HG22      THR  65  20.674   9.714   3.992
  527   3HG2  THR  65          HG23      THR  65  22.329  10.305   3.845
  528    H    ASN  66           HN       ASN  66  18.636  12.001   7.174
  529    HA   ASN  66           HA       ASN  66  16.874   9.758   7.213
  530   1HB   ASN  66          HB2       ASN  66  16.452  12.727   7.559
  531   2HB   ASN  66          HB1       ASN  66  15.123  11.574   7.625
  532   1HD2  ASN  66          HD21      ASN  66  16.131   9.497   8.985
  533   2HD2  ASN  66          HD22      ASN  66  16.583   9.973  10.584
  534    HA   PRO  67           HA       PRO  67  15.212   9.695   3.131
  535   1HB   PRO  67          HB1       PRO  67  12.516   9.471   3.602
  536   2HB   PRO  67          HB2       PRO  67  13.659   8.127   3.711
  537   1HG   PRO  67          HG1       PRO  67  12.522   9.833   5.891
  538   2HG   PRO  67          HG2       PRO  67  12.787   8.080   5.863
  539   1HD   PRO  67          HD2       PRO  67  14.465   9.736   7.148
  540   2HD   PRO  67          HD1       PRO  67  15.054   8.290   6.301
  541    H    SER  68           HN       SER  68  13.621  11.881   5.407
  542    HA   SER  68           HA       SER  68  12.537  13.534   3.300
  543   1HB   SER  68          HB1       SER  68  11.874  13.117   5.953
  544   2HB   SER  68          HB2       SER  68  12.607  14.720   5.974
  545    HG   SER  68           HG       SER  68  10.909  14.401   3.877
  546    H    LYS  69           HN       LYS  69  15.539  13.177   4.686
  547    HA   LYS  69           HA       LYS  69  16.297  15.980   4.564
  548   1HB   LYS  69          HB1       LYS  69  17.355  13.570   5.769
  549   2HB   LYS  69          HB2       LYS  69  18.604  14.413   4.863
  550   1HG   LYS  69          HG1       LYS  69  17.456  16.469   6.213
  551   2HG   LYS  69          HG2       LYS  69  17.270  15.144   7.364
  552   1HD   LYS  69          HD2       LYS  69  19.905  15.513   6.027
  553   2HD   LYS  69          HD1       LYS  69  19.452  16.621   7.323
  554   1HE   LYS  69          HE2       LYS  69  19.668  15.048   8.918
  555   2HE   LYS  69          HE1       LYS  69  18.983  13.781   7.901
  556   1HZ   LYS  69          HZ1       LYS  69  21.273  13.296   8.360
  557   2HZ   LYS  69          HZ2       LYS  69  21.764  14.814   7.800
  558   3HZ   LYS  69          HZ3       LYS  69  21.123  13.681   6.720
  559    H    ARG  70           HN       ARG  70  18.365  16.516   3.366
  560    HA   ARG  70           HA       ARG  70  18.044  15.688   0.619
  561   1HB   ARG  70          HB1       ARG  70  19.397  17.878   2.054
  562   2HB   ARG  70          HB2       ARG  70  20.219  17.328   0.601
  563   1HG   ARG  70          HG2       ARG  70  18.848  19.051  -0.141
  564   2HG   ARG  70          HG1       ARG  70  17.953  17.589  -0.556
  565   1HD   ARG  70          HD1       ARG  70  16.220  18.322   0.618
  566   2HD   ARG  70          HD2       ARG  70  17.213  18.318   2.075
  567    HE   ARG  70           HE       ARG  70  16.779  20.622   0.301
  568   1HH1  ARG  70          HH11      ARG  70  17.835  19.273   3.335
  569   2HH1  ARG  70          HH12      ARG  70  18.007  20.815   4.107
  570   1HH2  ARG  70          HH21      ARG  70  17.002  22.655   1.310
  571   2HH2  ARG  70          HH22      ARG  70  17.533  22.737   2.956
  572    H    GLU  71           HN       GLU  71  21.227  16.364   1.901
  573    HA   GLU  71           HA       GLU  71  22.156  13.810   0.845
  574   1HB   GLU  71          HB2       GLU  71  23.483  16.381   1.618
  575   2HB   GLU  71          HB1       GLU  71  24.438  14.907   1.530
  576   1HG   GLU  71          HG1       GLU  71  23.045  14.858  -0.828
  577   2HG   GLU  71          HG2       GLU  71  23.366  16.576  -0.598