*HEADER    TRANSCRIPTION                           11-JUL-12   2LVU              
*TITLE     SOLUTION STRUCTURE OF MIZ-1 ZINC FINGER 10                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER AND BTB DOMAIN-CONTAINING PROTEIN 17;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C2H2-TYPE 10 ZINC FINGER RESIDUES 556-581;                 
*COMPND   5 SYNONYM: MYC-INTERACTING ZINC FINGER PROTEIN 1, MIZ-1, ZINC FINGER   
*COMPND   6 PROTEIN 151, ZINC FINGER PROTEIN 60;                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: MIZ1, ZBTB17, ZNF151, ZNF60;                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 STAR (DE3);                           
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-3A                                     
*KEYWDS    C2H2 ZINC FINGER, TRANSCRIPTION                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.BEDARD, L.MALTAIS, M.BEAULIEU, D.BERNARD, P.LAVIGNE                 
*REVDAT   1   25-JUL-12 2LVU    0                                                


assign ( resid 69 and name HB1
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 3.8 2.0 0.8 volume=0.344 peak=1332 ppm1=3.385 ppm2=2.738

assign ( resid 65 and name HN
  )
       ( resid 62 and name HB1
  ) 3.1 1.3 0.6 volume=1.117 peak=471 ppm1=8.134 ppm2=3.270

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HA
  ) 4.3 2.5 0.9 volume=0.176 peak=1178 ppm1=0.954 ppm2=3.063

assign ( resid 62 and name HN
  )
       ( resid 62 and name HA
  ) 2.8 1.0 0.6 volume=2.422 peak=188 ppm1=8.835 ppm2=4.495

assign ( resid 60 and name HN
  )
       ( resid 59 and name HB2
  ) 3.7 1.9 0.7 volume=0.406 peak=483 ppm1=8.108 ppm2=1.299

assign ( resid 79 and name HG12
  )
       ( resid 79 and name HN
  ) 3.6 1.8 0.7 volume=0.473 peak=1271 ppm1=1.359 ppm2=8.266

assign ( resid 59 and name HB2
  )
       ( resid 60 and name HN
  ) 4.0 2.2 0.8 volume=0.279 peak=809 ppm1=1.327 ppm2=8.114

assign ( resid 71 and name HN
  )
       ( resid 71 and name HB1
  ) 3.1 1.3 0.6 volume=1.156 peak=495 ppm1=7.495 ppm2=1.567

assign ( resid 74 and name HG2
  or resid 74 and name HG1
  )
       ( resid 69 and name HB1
  ) 4.6 2.8 0.9 volume=0.115 peak=978 ppm1=2.418 ppm2=3.361

assign ( resid 67 and name HN
  )
       ( resid 68 and name HN
  ) 4.1 2.3 0.8 volume=0.232 peak=198 ppm1=7.953 ppm2=7.530

assign ( resid 79 and name HG2#
  )
       ( resid 80 and name HA
  ) 3.5 1.7 0.7 volume=0.572 peak=1388 ppm1=0.910 ppm2=3.891

assign ( resid 68 and name HG2
  )
       ( resid 68 and name HG1
  ) 2.4 0.6 0.5 volume=5.321 peak=1549 ppm1=1.248 ppm2=1.601

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 74 and name HB1
  ) 3.5 1.7 0.7 volume=0.565 peak=86 ppm1=6.963 ppm2=1.921

assign ( resid 67 and name HG2
  )
       ( resid 67 and name HE2
  ) 3.6 1.8 0.7 volume=0.495 peak=1403 ppm1=1.297 ppm2=2.772

assign ( resid 78 and name HA
  )
       ( resid 79 and name HN
  ) 3.6 1.8 0.7 volume=0.458 peak=1256 ppm1=4.141 ppm2=8.287

assign ( resid 79 and name HG12
  )
       ( resid 79 and name HA
  ) 3.6 1.8 0.7 volume=0.476 peak=1486 ppm1=1.358 ppm2=3.528

assign ( resid 66 and name HN
  )
       ( resid 62 and name HB1
  ) 3.2 1.4 0.6 volume=0.967 peak=638 ppm1=8.254 ppm2=3.258

assign ( resid 59 and name HB1
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 4.4 2.6 0.9 volume=0.141 peak=915 ppm1=1.942 ppm2=6.900

assign ( resid 65 and name HN
  )
       ( resid 65 and name HB2
  ) 3.3 1.5 0.7 volume=0.907 peak=326 ppm1=8.134 ppm2=2.788

assign ( resid 64 and name HB1
  )
       ( resid 65 and name HN
  ) 4.0 2.2 0.8 volume=0.279 peak=1048 ppm1=1.297 ppm2=8.146

assign ( resid 79 and name HG11
  )
       ( resid 79 and name HN
  ) 3.4 1.6 0.7 volume=0.641 peak=1452 ppm1=1.667 ppm2=8.267

assign ( resid 64 and name HN
  )
       ( resid 63 and name HG1
  or resid 63 and name HG2
  ) 3.6 1.8 0.7 volume=0.531 peak=620 ppm1=8.730 ppm2=2.213

assign ( resid 63 and name HA
  )
       ( resid 64 and name HN
  ) 3.6 1.8 0.7 volume=0.473 peak=1006 ppm1=4.090 ppm2=8.728

assign ( resid 64 and name HN
  )
       ( resid 64 and name HA
  ) 2.9 1.1 0.6 volume=1.723 peak=589 ppm1=8.730 ppm2=4.128

assign ( resid 68 and name HB1
  )
       ( resid 61 and name HG1#
  ) 4.0 2.2 0.8 volume=0.275 peak=1244 ppm1=1.673 ppm2=0.649

assign ( resid 78 and name HA
  )
       ( resid 78 and name HN
  ) 2.9 1.1 0.6 volume=1.868 peak=1654 ppm1=4.146 ppm2=7.417

assign ( resid 64 and name HD1
  )
       ( resid 64 and name HD2
  ) 2.2 0.4 0.4 volume=10.639 peak=1410 ppm1=2.598 ppm2=2.431

assign ( resid 68 and name HG1
  )
       ( resid 68 and name HN
  ) 3.7 1.9 0.7 volume=0.422 peak=1584 ppm1=1.611 ppm2=7.532

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HN
  ) 4.0 2.2 0.8 volume=0.266 peak=1217 ppm1=0.954 ppm2=6.668

assign ( resid 61 and name HG2#
  )
       ( resid 61 and name HB
  ) 2.7 0.9 0.5 volume=2.544 peak=1638 ppm1=0.615 ppm2=1.692

assign ( resid 64 and name HG2
  )
       ( resid 64 and name HD1
  ) 3.7 1.9 0.7 volume=0.430 peak=811 ppm1=1.383 ppm2=2.602

assign ( resid 75 and name HD1#
  )
       ( resid 79 and name HN
  ) 4.5 2.7 0.9 volume=0.126 peak=1587 ppm1=0.898 ppm2=8.267

assign ( resid 68 and name HN
  )
       ( resid 68 and name HB1
  ) 2.9 1.1 0.6 volume=1.828 peak=600 ppm1=7.529 ppm2=1.657

assign ( resid 68 and name HB2
  )
       ( resid 69 and name HN
  ) 4.1 2.3 0.8 volume=0.233 peak=1127 ppm1=1.325 ppm2=8.823

assign ( resid 64 and name HG2
  )
       ( resid 64 and name HD2
  ) 3.7 1.9 0.7 volume=0.392 peak=856 ppm1=1.380 ppm2=2.432

assign ( resid 82 and name HA
  )
       ( resid 82 and name HB2
  ) 3.0 1.2 0.6 volume=1.379 peak=1448 ppm1=3.989 ppm2=3.103

assign ( resid 67 and name HG1
  )
       ( resid 68 and name HN
  ) 4.1 2.3 0.8 volume=0.239 peak=1023 ppm1=0.904 ppm2=7.550

assign ( resid 70 and name HG2#
  )
       ( resid 70 and name HA
  ) 2.8 1.0 0.6 volume=2.021 peak=678 ppm1=1.089 ppm2=4.146

assign ( resid 75 and name HD1#
  )
       ( resid 62 and name HB2
  ) 3.3 1.5 0.7 volume=0.786 peak=1687 ppm1=0.897 ppm2=2.730

assign ( resid 69 and name HB2
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 3.6 1.8 0.7 volume=0.524 peak=1642 ppm1=2.459 ppm2=2.750

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HB1
  ) 2.7 0.9 0.5 volume=2.738 peak=1098 ppm1=1.042 ppm2=1.714

assign ( resid 62 and name HB2
  )
       ( resid 78 and name HD2
  ) 3.0 1.2 0.6 volume=1.415 peak=1600 ppm1=2.757 ppm2=7.004

assign ( resid 60 and name HD1 or resid 60 and name HD2
  )
       ( resid 60 and name HN
  ) 3.4 1.6 0.7 volume=0.717 peak=58 ppm1=6.898 ppm2=8.107

assign ( resid 71 and name HB2
  )
       ( resid 74 and name HN
  ) 3.7 1.9 0.7 volume=0.406 peak=969 ppm1=2.167 ppm2=6.643

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 69 and name HB2
  ) 3.4 1.6 0.7 volume=0.739 peak=40 ppm1=6.965 ppm2=2.466

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HA
  ) 3.3 1.5 0.7 volume=0.803 peak=1077 ppm1=1.042 ppm2=3.040

assign ( resid 67 and name HG2
  )
       ( resid 67 and name HA
  ) 3.7 1.9 0.7 volume=0.425 peak=872 ppm1=1.297 ppm2=3.817

assign ( resid 71 and name HG2
  )
       ( resid 70 and name HG1#
  ) 3.3 1.5 0.7 volume=0.828 peak=1028 ppm1=2.284 ppm2=1.007

assign ( resid 71 and name HB1
  )
       ( resid 71 and name HB2
  ) 2.6 0.8 0.5 volume=3.639 peak=1299 ppm1=1.606 ppm2=2.166

assign ( resid 79 and name HN
  )
       ( resid 76 and name HA
  ) 3.2 1.4 0.6 volume=0.951 peak=258 ppm1=8.248 ppm2=3.845

assign ( resid 69 and name HN
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.1 1.3 0.6 volume=1.105 peak=300 ppm1=8.821 ppm2=6.963

assign ( resid 64 and name HD2
  )
       ( resid 64 and name HA
  ) 4.6 2.8 0.9 volume=0.117 peak=851 ppm1=2.436 ppm2=4.144

assign ( resid 65 and name HB1
  )
       ( resid 82 and name HE1
  ) 3.0 1.2 0.6 volume=1.374 peak=1133 ppm1=3.354 ppm2=7.909

assign ( resid 67 and name HN
  )
       ( resid 66 and name HN
  ) 3.2 1.4 0.6 volume=0.947 peak=183 ppm1=7.955 ppm2=8.253

assign ( resid 74 and name HG2
  or resid 74 and name HG1
  )
       ( resid 74 and name HA
  ) 3.6 1.8 0.7 volume=0.496 peak=1124 ppm1=2.416 ppm2=3.913

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HD1#
  ) 3.2 1.4 0.6 volume=0.936 peak=44 ppm1=6.964 ppm2=0.878

assign ( resid 75 and name HB2
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 3.4 1.6 0.7 volume=0.657 peak=716 ppm1=1.041 ppm2=2.764

assign ( resid 82 and name HN
  )
       ( resid 81 and name HA
  ) 2.9 1.1 0.6 volume=1.789 peak=215 ppm1=7.337 ppm2=4.618

assign ( resid 64 and name HN
  )
       ( resid 64 and name HB1
  ) 2.5 0.7 0.5 volume=3.951 peak=458 ppm1=8.729 ppm2=1.304

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HG11
  ) 3.8 2.0 0.8 volume=0.348 peak=83 ppm1=7.002 ppm2=1.649

assign ( resid 70 and name HB
  )
       ( resid 70 and name HA
  ) 3.6 1.8 0.7 volume=0.534 peak=1389 ppm1=2.211 ppm2=4.158

assign ( resid 65 and name HN
  )
       ( resid 65 and name HA
  ) 3.2 1.4 0.6 volume=0.969 peak=104 ppm1=8.136 ppm2=5.092

assign ( resid 69 and name HB1
  )
       ( resid 70 and name HN
  ) 3.9 2.1 0.8 volume=0.284 peak=1305 ppm1=3.386 ppm2=8.594

assign ( resid 68 and name HG2
  )
       ( resid 69 and name HN
  ) 4.6 2.8 0.9 volume=0.119 peak=1514 ppm1=1.251 ppm2=8.819

assign ( resid 62 and name HN
  )
       ( resid 62 and name HB1
  ) 3.0 1.2 0.6 volume=1.341 peak=333 ppm1=8.835 ppm2=3.255

assign ( resid 83 and name HB1
  )
       ( resid 83 and name HN
  ) 3.7 1.9 0.7 volume=0.448 peak=673 ppm1=2.603 ppm2=7.964

assign ( resid 63 and name HB1
  )
       ( resid 64 and name HN
  ) 4.3 2.5 0.9 volume=0.180 peak=1672 ppm1=2.064 ppm2=8.736

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HN
  ) 3.8 2.0 0.8 volume=0.344 peak=762 ppm1=1.682 ppm2=7.540

assign ( resid 65 and name HN
  )
       ( resid 64 and name HA
  ) 3.2 1.4 0.6 volume=0.975 peak=584 ppm1=8.136 ppm2=4.102

assign ( resid 78 and name HD2
  )
       ( resid 75 and name HD1#
  ) 2.9 1.1 0.6 volume=1.736 peak=61 ppm1=7.004 ppm2=0.875

assign ( resid 77 and name HN
  )
       ( resid 74 and name HA
  ) 3.1 1.3 0.6 volume=1.251 peak=211 ppm1=7.443 ppm2=3.916

assign ( resid 75 and name HB2
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.7 1.9 0.7 volume=0.438 peak=1163 ppm1=1.039 ppm2=6.966

assign ( resid 75 and name HD1#
  )
       ( resid 78 and name HD2
  ) 3.3 1.5 0.7 volume=0.828 peak=1037 ppm1=0.897 ppm2=7.004

assign ( resid 74 and name HB1
  )
       ( resid 74 and name HN
  ) 3.3 1.5 0.7 volume=0.836 peak=1545 ppm1=1.948 ppm2=6.647

assign ( resid 79 and name HG12
  )
       ( resid 79 and name HG11
  ) 2.3 0.5 0.5 volume=6.724 peak=1293 ppm1=1.360 ppm2=1.659

assign ( resid 79 and name HN
  )
       ( resid 79 and name HB
  ) 2.9 1.1 0.6 volume=1.687 peak=266 ppm1=8.252 ppm2=1.825

assign ( resid 71 and name HN
  )
       ( resid 70 and name HN
  ) 3.0 1.2 0.6 volume=1.617 peak=163 ppm1=7.491 ppm2=8.590

assign ( resid 63 and name HG1
  or resid 63 and name HG2
  )
       ( resid 63 and name HN
  ) 4.0 2.2 0.8 volume=0.280 peak=1022 ppm1=2.251 ppm2=9.397

assign ( resid 83 and name HN
  )
       ( resid 81 and name HA
  ) 3.3 1.5 0.7 volume=0.791 peak=556 ppm1=7.964 ppm2=4.620

assign ( resid 77 and name HD21
  )
       ( resid 77 and name HD22
  ) 2.6 0.8 0.5 volume=3.327 peak=489 ppm1=7.548 ppm2=6.869

assign ( resid 66 and name HA2
  )
       ( resid 66 and name HN
  ) 3.0 1.2 0.6 volume=1.431 peak=682 ppm1=4.127 ppm2=8.252

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.3 1.5 0.7 volume=0.843 peak=1170 ppm1=2.470 ppm2=6.969

assign ( resid 79 and name HN
  )
       ( resid 78 and name HB2
  ) 3.4 1.6 0.7 volume=0.648 peak=356 ppm1=8.251 ppm2=2.730

assign ( resid 63 and name HB2
  )
       ( resid 64 and name HN
  ) 4.6 2.8 0.9 volume=0.111 peak=1065 ppm1=1.991 ppm2=8.729

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HD1
  ) 3.5 1.7 0.7 volume=0.539 peak=1533 ppm1=1.316 ppm2=3.023

assign ( resid 64 and name HN
  )
       ( resid 64 and name HG1
  ) 2.6 0.8 0.5 volume=3.167 peak=429 ppm1=8.730 ppm2=1.263

assign ( resid 66 and name HA1
  )
       ( resid 66 and name HN
  ) 2.8 1.0 0.6 volume=2.210 peak=1278 ppm1=3.624 ppm2=8.254

assign ( resid 79 and name HN
  )
       ( resid 79 and name HG12
  ) 3.2 1.4 0.6 volume=0.976 peak=401 ppm1=8.248 ppm2=1.313

assign ( resid 65 and name HA
  )
       ( resid 65 and name HN
  ) 3.3 1.5 0.7 volume=0.897 peak=1417 ppm1=5.135 ppm2=8.151

assign ( resid 78 and name HN
  )
       ( resid 78 and name HA
  ) 2.9 1.1 0.6 volume=1.824 peak=643 ppm1=7.418 ppm2=4.113

assign ( resid 68 and name HA
  )
       ( resid 68 and name HB1
  ) 3.0 1.2 0.6 volume=1.412 peak=800 ppm1=5.106 ppm2=1.668

assign ( resid 64 and name HN
  )
       ( resid 65 and name HN
  ) 2.8 1.0 0.6 volume=2.173 peak=136 ppm1=8.729 ppm2=8.139

assign ( resid 75 and name HA
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.7 1.9 0.7 volume=0.447 peak=1326 ppm1=3.061 ppm2=6.976

assign ( resid 81 and name HN
  )
       ( resid 80 and name HA
  ) 3.4 1.6 0.7 volume=0.663 peak=535 ppm1=7.263 ppm2=3.893

assign ( resid 61 and name HN
  )
       ( resid 61 and name HG2#
  ) 3.1 1.3 0.6 volume=1.240 peak=487 ppm1=8.237 ppm2=0.610

assign ( resid 63 and name HB2
  )
       ( resid 63 and name HN
  ) 3.9 2.1 0.8 volume=0.291 peak=691 ppm1=2.000 ppm2=9.371

assign ( resid 75 and name HB2
  )
       ( resid 69 and name HB2
  ) 3.9 2.1 0.8 volume=0.329 peak=869 ppm1=1.043 ppm2=2.479

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HD2
  ) 3.4 1.6 0.7 volume=0.681 peak=924 ppm1=2.746 ppm2=7.014

assign ( resid 77 and name HN
  )
       ( resid 75 and name HA
  ) 3.7 1.9 0.7 volume=0.448 peak=370 ppm1=7.441 ppm2=3.063

assign ( resid 59 and name HA
  )
       ( resid 59 and name HB2
  ) 3.3 1.5 0.7 volume=0.852 peak=759 ppm1=4.233 ppm2=1.295

assign ( resid 74 and name HN
  )
       ( resid 77 and name HN
  ) 3.4 1.6 0.7 volume=0.641 peak=255 ppm1=6.621 ppm2=7.451

assign ( resid 79 and name HA
  )
       ( resid 62 and name HB2
  ) 4.1 2.3 0.8 volume=0.211 peak=1437 ppm1=3.554 ppm2=2.739

assign ( resid 65 and name HB2
  )
       ( resid 65 and name HA
  ) 3.3 1.5 0.7 volume=0.906 peak=1614 ppm1=2.833 ppm2=5.102

assign ( resid 71 and name HN
  )
       ( resid 71 and name HB2
  ) 2.6 0.8 0.5 volume=3.344 peak=151 ppm1=7.492 ppm2=2.165

assign ( resid 75 and name HD1#
  )
       ( resid 62 and name HB1
  ) 3.8 2.0 0.8 volume=0.359 peak=1038 ppm1=0.899 ppm2=3.249

assign ( resid 64 and name HD2
  )
       ( resid 64 and name HG1
  ) 3.2 1.4 0.6 volume=0.952 peak=892 ppm1=2.433 ppm2=1.268

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HA
  ) 3.2 1.4 0.6 volume=0.922 peak=1066 ppm1=2.741 ppm2=4.112

assign ( resid 61 and name HG1#
  )
       ( resid 68 and name HG2
  ) 2.8 1.0 0.6 volume=2.272 peak=1042 ppm1=0.675 ppm2=1.246

assign ( resid 69 and name HN
  )
       ( resid 69 and name HA
  ) 3.1 1.3 0.6 volume=1.167 peak=277 ppm1=8.821 ppm2=4.641

assign ( resid 59 and name HB2
  )
       ( resid 59 and name HB1
  ) 2.6 0.8 0.5 volume=3.458 peak=1577 ppm1=1.326 ppm2=1.923

assign ( resid 82 and name HB1
  )
       ( resid 82 and name HD2
  ) 3.7 1.9 0.7 volume=0.451 peak=1101 ppm1=2.893 ppm2=6.184

assign ( resid 59 and name HA
  )
       ( resid 60 and name HN
  ) 3.0 1.2 0.6 volume=1.354 peak=925 ppm1=4.236 ppm2=8.112

assign ( resid 70 and name HN
  )
       ( resid 69 and name HN
  ) 3.4 1.6 0.7 volume=0.697 peak=158 ppm1=8.586 ppm2=8.822

assign ( resid 68 and name HG1
  )
       ( resid 68 and name HG2
  ) 2.6 0.8 0.5 volume=3.666 peak=1622 ppm1=1.612 ppm2=1.242

assign ( resid 75 and name HN
  )
       ( resid 75 and name HB1
  ) 2.8 1.0 0.6 volume=2.389 peak=173 ppm1=6.650 ppm2=1.746

assign ( resid 68 and name HG2
  )
       ( resid 68 and name HN
  ) 3.8 2.0 0.8 volume=0.363 peak=798 ppm1=1.245 ppm2=7.540

assign ( resid 79 and name HN
  )
       ( resid 78 and name HA
  ) 4.0 2.2 0.8 volume=0.275 peak=505 ppm1=8.248 ppm2=4.118

assign ( resid 68 and name HG1
  )
       ( resid 68 and name HD1
  ) 3.3 1.5 0.7 volume=0.791 peak=730 ppm1=1.613 ppm2=3.036

assign ( resid 68 and name HA
  )
       ( resid 68 and name HG2
  ) 3.1 1.3 0.6 volume=1.212 peak=1151 ppm1=5.108 ppm2=1.252

assign ( resid 63 and name HA
  )
       ( resid 63 and name HN
  ) 3.6 1.8 0.7 volume=0.459 peak=1386 ppm1=4.092 ppm2=9.397

assign ( resid 76 and name HA
  )
       ( resid 79 and name HB
  ) 2.9 1.1 0.6 volume=1.803 peak=1387 ppm1=3.870 ppm2=1.821

assign ( resid 78 and name HN
  )
       ( resid 74 and name HA
  ) 3.5 1.7 0.7 volume=0.573 peak=454 ppm1=7.417 ppm2=3.908

assign ( resid 68 and name HB1
  )
       ( resid 67 and name HA
  ) 4.7 2.9 0.9 volume=0.095 peak=1380 ppm1=1.676 ppm2=3.792

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 74 and name HG2
  or resid 74 and name HG1
  ) 3.3 1.5 0.7 volume=0.785 peak=98 ppm1=6.965 ppm2=2.415

assign ( resid 60 and name HB1
  or resid 60 and name HB2
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 2.8 1.0 0.6 volume=2.333 peak=1191 ppm1=2.785 ppm2=6.899

assign ( resid 82 and name HB2
  )
       ( resid 82 and name HN
  ) 3.6 1.8 0.7 volume=0.505 peak=1424 ppm1=3.153 ppm2=7.354

assign ( resid 62 and name HB1
  )
       ( resid 79 and name HD1#
  ) 3.2 1.4 0.6 volume=1.060 peak=980 ppm1=3.295 ppm2=0.843

assign ( resid 82 and name HN
  )
       ( resid 82 and name HA
  ) 3.5 1.7 0.7 volume=0.597 peak=615 ppm1=7.338 ppm2=3.945

assign ( resid 67 and name HA
  )
       ( resid 68 and name HN
  ) 2.6 0.8 0.5 volume=3.858 peak=1033 ppm1=3.828 ppm2=7.533

assign ( resid 63 and name HG1
  or resid 63 and name HG2
  )
       ( resid 64 and name HN
  ) 4.3 2.5 0.9 volume=0.166 peak=928 ppm1=2.249 ppm2=8.737

assign ( resid 71 and name HN
  )
       ( resid 70 and name HG1#
  ) 3.3 1.5 0.7 volume=0.796 peak=210 ppm1=7.484 ppm2=1.021

assign ( resid 68 and name HA
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.8 2.0 0.8 volume=0.365 peak=1690 ppm1=5.104 ppm2=6.967

assign ( resid 80 and name HN
  )
       ( resid 79 and name HA
  ) 3.7 1.9 0.7 volume=0.418 peak=289 ppm1=7.295 ppm2=3.520

assign ( resid 76 and name HB#
  )
       ( resid 75 and name HB1
  ) 3.6 1.8 0.7 volume=0.476 peak=1641 ppm1=1.257 ppm2=1.750

assign ( resid 78 and name HD2
  )
       ( resid 62 and name HB1
  ) 3.8 2.0 0.8 volume=0.340 peak=90 ppm1=7.003 ppm2=3.279

assign ( resid 78 and name HN
  )
       ( resid 77 and name HA
  ) 3.2 1.4 0.6 volume=1.077 peak=612 ppm1=7.419 ppm2=4.219

assign ( resid 68 and name HA
  )
       ( resid 68 and name HB2
  ) 3.3 1.5 0.7 volume=0.765 peak=975 ppm1=5.107 ppm2=1.305

assign ( resid 83 and name HN
  )
       ( resid 82 and name HN
  ) 3.9 2.1 0.8 volume=0.311 peak=437 ppm1=7.963 ppm2=7.320

assign ( resid 79 and name HN
  )
       ( resid 79 and name HD1#
  ) 3.0 1.2 0.6 volume=1.464 peak=655 ppm1=8.250 ppm2=0.878

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HD21
  ) 2.9 1.1 0.6 volume=1.950 peak=826 ppm1=2.654 ppm2=7.547

assign ( resid 71 and name HN
  )
       ( resid 70 and name HB
  ) 2.6 0.8 0.5 volume=3.344 peak=494 ppm1=7.492 ppm2=2.215

assign ( resid 68 and name HA
  )
       ( resid 69 and name HN
  ) 3.0 1.2 0.6 volume=1.541 peak=1248 ppm1=5.105 ppm2=8.835

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HN
  ) 3.6 1.8 0.7 volume=0.483 peak=939 ppm1=1.426 ppm2=8.728

assign ( resid 61 and name HN
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 3.6 1.8 0.7 volume=0.504 peak=399 ppm1=8.240 ppm2=2.751

assign ( resid 75 and name HA
  )
       ( resid 75 and name HB2
  ) 3.2 1.4 0.6 volume=1.099 peak=1086 ppm1=3.068 ppm2=1.025

assign ( resid 71 and name HN
  )
       ( resid 70 and name HA
  ) 3.7 1.9 0.7 volume=0.400 peak=114 ppm1=7.488 ppm2=4.140

assign ( resid 64 and name HD1
  )
       ( resid 64 and name HA
  ) 4.4 2.6 0.9 volume=0.144 peak=871 ppm1=2.605 ppm2=4.145

assign ( resid 82 and name HD2
  )
       ( resid 78 and name HD2
  ) 3.6 1.8 0.7 volume=0.481 peak=27 ppm1=6.188 ppm2=7.000

assign ( resid 74 and name HN
  )
       ( resid 71 and name HB1
  ) 3.0 1.2 0.6 volume=1.487 peak=345 ppm1=6.624 ppm2=1.564

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 74 and name HB2
  ) 3.4 1.6 0.7 volume=0.638 peak=51 ppm1=6.963 ppm2=2.346

assign ( resid 70 and name HN
  )
       ( resid 69 and name HB1
  ) 2.9 1.1 0.6 volume=1.793 peak=501 ppm1=8.589 ppm2=3.366

assign ( resid 65 and name HB2
  )
       ( resid 65 and name HN
  ) 3.6 1.8 0.7 volume=0.505 peak=832 ppm1=2.831 ppm2=8.140

assign ( resid 59 and name HD2
  )
       ( resid 60 and name HN
  ) 4.1 2.3 0.8 volume=0.229 peak=906 ppm1=3.606 ppm2=8.113

assign ( resid 59 and name HA
  )
       ( resid 59 and name HB1
  ) 3.0 1.2 0.6 volume=1.557 peak=1480 ppm1=4.233 ppm2=1.911

assign ( resid 79 and name HA
  )
       ( resid 82 and name HD2
  ) 3.2 1.4 0.6 volume=1.017 peak=1082 ppm1=3.558 ppm2=6.186

assign ( resid 71 and name HB2
  )
       ( resid 71 and name HB1
  ) 2.7 0.9 0.5 volume=3.015 peak=770 ppm1=2.164 ppm2=1.583

assign ( resid 68 and name HG2
  )
       ( resid 68 and name HB1
  ) 2.4 0.6 0.5 volume=5.218 peak=1607 ppm1=1.248 ppm2=1.656

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HG2
  ) 2.6 0.8 0.5 volume=3.576 peak=1371 ppm1=1.678 ppm2=1.247

assign ( resid 69 and name HN
  )
       ( resid 68 and name HB1
  ) 3.1 1.3 0.6 volume=1.241 peak=430 ppm1=8.820 ppm2=1.659

assign ( resid 79 and name HA
  )
       ( resid 78 and name HD2
  ) 4.0 2.2 0.8 volume=0.269 peak=1337 ppm1=3.557 ppm2=7.001

assign ( resid 69 and name HB1
  )
       ( resid 71 and name HN
  ) 4.0 2.2 0.8 volume=0.264 peak=1269 ppm1=3.387 ppm2=7.487

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HN
  ) 3.4 1.6 0.7 volume=0.672 peak=929 ppm1=1.317 ppm2=7.539

assign ( resid 68 and name HG1
  )
       ( resid 69 and name HN
  ) 4.4 2.6 0.9 volume=0.140 peak=1209 ppm1=1.602 ppm2=8.820

assign ( resid 59 and name HB1
  )
       ( resid 59 and name HB2
  ) 2.4 0.6 0.5 volume=5.245 peak=1468 ppm1=1.943 ppm2=1.316

assign ( resid 74 and name HG2
  or resid 74 and name HG1
  )
       ( resid 71 and name HN
  ) 3.7 1.9 0.7 volume=0.399 peak=1149 ppm1=2.418 ppm2=7.471

assign ( resid 67 and name HG1
  )
       ( resid 67 and name HA
  ) 3.7 1.9 0.7 volume=0.424 peak=1270 ppm1=0.904 ppm2=3.815

assign ( resid 62 and name HN
  )
       ( resid 61 and name HN
  ) 3.9 2.1 0.8 volume=0.291 peak=485 ppm1=8.836 ppm2=8.205

assign ( resid 75 and name HA
  )
       ( resid 78 and name HN
  ) 3.8 2.0 0.8 volume=0.373 peak=1201 ppm1=3.065 ppm2=7.422

assign ( resid 68 and name HN
  )
       ( resid 67 and name HA
  ) 2.5 0.7 0.5 volume=4.809 peak=658 ppm1=7.530 ppm2=3.782

assign ( resid 79 and name HA
  )
       ( resid 79 and name HN
  ) 3.5 1.7 0.7 volume=0.629 peak=1463 ppm1=3.558 ppm2=8.266

assign ( resid 61 and name HG1#
  )
       ( resid 61 and name HN
  ) 3.3 1.5 0.7 volume=0.802 peak=1482 ppm1=0.672 ppm2=8.206

assign ( resid 76 and name HB#
  )
       ( resid 77 and name HN
  ) 3.0 1.2 0.6 volume=1.559 peak=1515 ppm1=1.256 ppm2=7.444

assign ( resid 80 and name HN
  )
       ( resid 80 and name HD2
  or resid 80 and name HD1
  ) 3.7 1.9 0.7 volume=0.416 peak=551 ppm1=7.296 ppm2=3.018

assign ( resid 83 and name HN
  )
       ( resid 83 and name HB2
  ) 3.1 1.3 0.6 volume=1.288 peak=478 ppm1=7.965 ppm2=2.507

assign ( resid 59 and name HD1
  )
       ( resid 60 and name HN
  ) 4.6 2.8 0.9 volume=0.117 peak=698 ppm1=3.461 ppm2=8.113

assign ( resid 77 and name HA
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 2.9 1.1 0.6 volume=1.963 peak=1119 ppm1=4.247 ppm2=2.632

assign ( resid 69 and name HB1
  )
       ( resid 74 and name HB1
  ) 4.0 2.2 0.8 volume=0.276 peak=1657 ppm1=3.383 ppm2=1.927

assign ( resid 67 and name HG2
  )
       ( resid 67 and name HN
  ) 3.8 2.0 0.8 volume=0.333 peak=1548 ppm1=1.302 ppm2=7.950

assign ( resid 75 and name HA
  )
       ( resid 79 and name HN
  ) 4.6 2.8 0.9 volume=0.116 peak=793 ppm1=3.070 ppm2=8.248

assign ( resid 79 and name HG2#
  )
       ( resid 79 and name HG12
  ) 2.8 1.0 0.6 volume=2.074 peak=986 ppm1=0.910 ppm2=1.316

assign ( resid 60 and name HA
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 4.0 2.2 0.8 volume=0.265 peak=1392 ppm1=4.437 ppm2=2.773

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HA
  ) 3.3 1.5 0.7 volume=0.909 peak=1561 ppm1=0.898 ppm2=3.064

assign ( resid 74 and name HB2
  )
       ( resid 74 and name HA
  ) 3.8 2.0 0.8 volume=0.382 peak=1214 ppm1=2.346 ppm2=3.920

assign ( resid 75 and name HN
  )
       ( resid 69 and name HB1
  ) 3.6 1.8 0.7 volume=0.524 peak=319 ppm1=6.646 ppm2=3.359

assign ( resid 70 and name HG1#
  )
       ( resid 71 and name HN
  ) 3.6 1.8 0.7 volume=0.478 peak=1633 ppm1=1.022 ppm2=7.490

assign ( resid 63 and name HB2
  )
       ( resid 63 and name HA
  ) 3.4 1.6 0.7 volume=0.692 peak=1003 ppm1=1.995 ppm2=4.070

assign ( resid 75 and name HN
  )
       ( resid 75 and name HA
  ) 3.1 1.3 0.6 volume=1.197 peak=626 ppm1=6.650 ppm2=3.043

assign ( resid 66 and name HN
  )
       ( resid 67 and name HN
  ) 3.4 1.6 0.7 volume=0.643 peak=225 ppm1=8.253 ppm2=7.947

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HD2
  ) 4.1 2.3 0.8 volume=0.211 peak=1157 ppm1=1.425 ppm2=2.408

assign ( resid 70 and name HG1#
  )
       ( resid 70 and name HB
  ) 2.5 0.7 0.5 volume=3.933 peak=1314 ppm1=1.022 ppm2=2.188

assign ( resid 71 and name HN
  )
       ( resid 69 and name HA
  ) 3.1 1.3 0.6 volume=1.283 peak=286 ppm1=7.490 ppm2=4.657

assign ( resid 79 and name HG2#
  )
       ( resid 82 and name HD2
  ) 4.0 2.2 0.8 volume=0.274 peak=1671 ppm1=0.911 ppm2=6.186

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HN
  ) 3.6 1.8 0.7 volume=0.479 peak=820 ppm1=1.305 ppm2=8.726

assign ( resid 76 and name HA
  )
       ( resid 76 and name HB#
  ) 2.4 0.6 0.5 volume=5.538 peak=1079 ppm1=3.874 ppm2=1.240

assign ( resid 64 and name HD1
  )
       ( resid 64 and name HB2
  ) 3.2 1.4 0.6 volume=0.994 peak=1231 ppm1=2.605 ppm2=1.425

assign ( resid 74 and name HB2
  )
       ( resid 74 and name HB1
  ) 2.9 1.1 0.6 volume=1.846 peak=1649 ppm1=2.348 ppm2=1.951

assign ( resid 69 and name HB2
  )
       ( resid 75 and name HD2#
  ) 3.8 2.0 0.8 volume=0.378 peak=1412 ppm1=2.467 ppm2=0.952

assign ( resid 79 and name HN
  )
       ( resid 78 and name HN
  ) 3.0 1.2 0.6 volume=1.375 peak=446 ppm1=8.249 ppm2=7.415

assign ( resid 63 and name HA
  )
       ( resid 61 and name HG1#
  ) 3.7 1.9 0.7 volume=0.393 peak=908 ppm1=4.090 ppm2=0.664

assign ( resid 68 and name HG1
  )
       ( resid 68 and name HA
  ) 4.2 2.4 0.8 volume=0.196 peak=1596 ppm1=1.613 ppm2=5.079

assign ( resid 67 and name HG1
  )
       ( resid 67 and name HE2
  ) 3.0 1.2 0.6 volume=1.485 peak=966 ppm1=0.900 ppm2=2.764

assign ( resid 61 and name HN
  )
       ( resid 61 and name HA
  ) 3.1 1.3 0.6 volume=1.162 peak=603 ppm1=8.237 ppm2=4.562

assign ( resid 59 and name HA
  )
       ( resid 59 and name HD2
  ) 5.0 3.2 1.0 volume=0.068 peak=863 ppm1=4.223 ppm2=3.566

assign ( resid 70 and name HG2#
  )
       ( resid 71 and name HN
  ) 3.6 1.8 0.7 volume=0.525 peak=1064 ppm1=1.086 ppm2=7.489

assign ( resid 67 and name HN
  )
       ( resid 62 and name HB1
  ) 3.1 1.3 0.6 volume=1.208 peak=445 ppm1=7.954 ppm2=3.267

assign ( resid 64 and name HD2
  )
       ( resid 64 and name HG2
  ) 3.2 1.4 0.6 volume=1.043 peak=1173 ppm1=2.434 ppm2=1.386

assign ( resid 70 and name HN
  )
       ( resid 71 and name HN
  ) 2.8 1.0 0.6 volume=2.236 peak=296 ppm1=8.586 ppm2=7.490

assign ( resid 62 and name HB1
  )
       ( resid 62 and name HB2
  ) 2.3 0.5 0.5 volume=6.887 peak=1499 ppm1=3.291 ppm2=2.742

assign ( resid 78 and name HD2
  )
       ( resid 62 and name HB2
  ) 3.4 1.6 0.7 volume=0.684 peak=4 ppm1=7.002 ppm2=2.764

assign ( resid 66 and name HA1
  )
       ( resid 66 and name HA2
  ) 2.6 0.8 0.5 volume=3.156 peak=714 ppm1=3.622 ppm2=4.103

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HN
  ) 4.5 2.7 0.9 volume=0.133 peak=10 ppm1=6.179 ppm2=7.326

assign ( resid 77 and name HN
  )
       ( resid 77 and name HA
  ) 2.9 1.1 0.6 volume=1.910 peak=212 ppm1=7.444 ppm2=4.229

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HA
  ) 4.3 2.5 0.9 volume=0.175 peak=778 ppm1=1.313 ppm2=5.080

assign ( resid 60 and name HB1
  or resid 60 and name HB2
  )
       ( resid 60 and name HN
  ) 3.2 1.4 0.6 volume=1.008 peak=1304 ppm1=2.786 ppm2=8.122

assign ( resid 80 and name HN
  )
       ( resid 80 and name HB1
  ) 2.6 0.8 0.5 volume=3.151 peak=281 ppm1=7.294 ppm2=1.597

assign ( resid 79 and name HN
  )
       ( resid 78 and name HB1
  ) 3.1 1.3 0.6 volume=1.256 peak=516 ppm1=8.248 ppm2=3.122

assign ( resid 64 and name HG2
  )
       ( resid 65 and name HN
  ) 4.2 2.4 0.8 volume=0.199 peak=672 ppm1=1.383 ppm2=8.146

assign ( resid 62 and name HB1
  )
       ( resid 65 and name HN
  ) 3.2 1.4 0.6 volume=1.059 peak=850 ppm1=3.287 ppm2=8.133

assign ( resid 79 and name HN
  )
       ( resid 80 and name HN
  ) 3.0 1.2 0.6 volume=1.470 peak=578 ppm1=8.252 ppm2=7.293

assign ( resid 60 and name HD1 or resid 60 and name HD2
  )
       ( resid 60 and name HA
  ) 4.6 2.8 0.9 volume=0.119 peak=56 ppm1=6.900 ppm2=4.409

assign ( resid 69 and name HB1
  )
       ( resid 69 and name HN
  ) 4.4 2.6 0.9 volume=0.158 peak=728 ppm1=3.382 ppm2=8.829

assign ( resid 74 and name HG2
  or resid 74 and name HG1
  )
       ( resid 74 and name HB1
  ) 3.3 1.5 0.7 volume=0.828 peak=1260 ppm1=2.413 ppm2=1.922

assign ( resid 82 and name HD2
  )
       ( resid 79 and name HG12
  ) 3.8 2.0 0.8 volume=0.377 peak=69 ppm1=6.186 ppm2=1.325

assign ( resid 62 and name HN
  )
       ( resid 62 and name HB2
  ) 3.2 1.4 0.6 volume=1.027 peak=222 ppm1=8.835 ppm2=2.740

assign ( resid 80 and name HG2
  )
       ( resid 80 and name HD2
  ) 3.1 1.3 0.6 volume=1.100 peak=1054 ppm1=1.416 ppm2=3.011

assign ( resid 68 and name HN
  )
       ( resid 68 and name HA
  ) 3.4 1.6 0.7 volume=0.704 peak=103 ppm1=7.530 ppm2=5.074

assign ( resid 76 and name HA
  )
       ( resid 79 and name HN
  ) 3.6 1.8 0.7 volume=0.531 peak=1297 ppm1=3.873 ppm2=8.246

assign ( resid 70 and name HN
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.5 1.7 0.7 volume=0.575 peak=267 ppm1=8.586 ppm2=6.945

assign ( resid 69 and name HB2
  )
       ( resid 70 and name HN
  ) 4.3 2.5 0.9 volume=0.177 peak=1374 ppm1=2.473 ppm2=8.599

assign ( resid 74 and name HN
  )
       ( resid 73 and name HB1
  or resid 73 and name HB2
  ) 3.4 1.6 0.7 volume=0.659 peak=320 ppm1=6.621 ppm2=3.703

assign ( resid 73 and name HA
  )
       ( resid 73 and name HB1
  or resid 73 and name HB2
  ) 2.6 0.8 0.5 volume=3.732 peak=662 ppm1=3.958 ppm2=3.717

assign ( resid 65 and name HB1
  )
       ( resid 65 and name HB2
  ) 2.3 0.5 0.5 volume=7.415 peak=1535 ppm1=3.362 ppm2=2.827

assign ( resid 80 and name HN
  )
       ( resid 76 and name HA
  ) 2.9 1.1 0.6 volume=1.767 peak=164 ppm1=7.293 ppm2=3.854

assign ( resid 64 and name HD1
  )
       ( resid 64 and name HG1
  ) 3.2 1.4 0.6 volume=0.992 peak=1353 ppm1=2.602 ppm2=1.266

assign ( resid 69 and name HN
  )
       ( resid 68 and name HA
  ) 2.7 0.9 0.5 volume=2.898 peak=562 ppm1=8.821 ppm2=5.072

assign ( resid 66 and name HN
  )
       ( resid 66 and name HA2
  ) 2.8 1.0 0.6 volume=2.302 peak=352 ppm1=8.255 ppm2=4.099

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 74 and name HA
  ) 3.2 1.4 0.6 volume=1.076 peak=1534 ppm1=2.655 ppm2=3.920

assign ( resid 66 and name HA2
  )
       ( resid 66 and name HA1
  ) 2.4 0.6 0.5 volume=5.155 peak=700 ppm1=4.128 ppm2=3.591

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 70 and name HN
  ) 4.4 2.6 0.9 volume=0.150 peak=91 ppm1=6.967 ppm2=8.599

assign ( resid 77 and name HD21
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 3.7 1.9 0.7 volume=0.454 peak=243 ppm1=7.545 ppm2=2.622

assign ( resid 65 and name HA
  )
       ( resid 64 and name HN
  ) 4.6 2.8 0.9 volume=0.107 peak=1416 ppm1=5.137 ppm2=8.730

assign ( resid 80 and name HN
  )
       ( resid 79 and name HN
  ) 3.0 1.2 0.6 volume=1.427 peak=618 ppm1=7.292 ppm2=8.244

assign ( resid 76 and name HN
  )
       ( resid 76 and name HB#
  ) 2.5 0.7 0.5 volume=4.526 peak=134 ppm1=7.873 ppm2=1.212

assign ( resid 60 and name HB1
  or resid 60 and name HB2
  )
       ( resid 60 and name HA
  ) 4.3 2.5 0.9 volume=0.170 peak=1324 ppm1=2.787 ppm2=4.420

assign ( resid 65 and name HN
  )
       ( resid 67 and name HN
  ) 3.4 1.6 0.7 volume=0.651 peak=528 ppm1=8.134 ppm2=7.950

assign ( resid 82 and name HD2
  )
       ( resid 79 and name HG11
  ) 4.2 2.4 0.8 volume=0.187 peak=26 ppm1=6.187 ppm2=1.655

assign ( resid 75 and name HB1
  )
       ( resid 76 and name HN
  ) 3.5 1.7 0.7 volume=0.625 peak=689 ppm1=1.743 ppm2=7.893

assign ( resid 82 and name HA
  )
       ( resid 82 and name HB1
  ) 3.2 1.4 0.6 volume=1.041 peak=1175 ppm1=3.987 ppm2=2.867

assign ( resid 76 and name HA
  )
       ( resid 76 and name HN
  ) 3.0 1.2 0.6 volume=1.382 peak=921 ppm1=3.876 ppm2=7.877

assign ( resid 68 and name HN
  )
       ( resid 67 and name HN
  ) 3.8 2.0 0.8 volume=0.380 peak=369 ppm1=7.531 ppm2=7.951

assign ( resid 74 and name HB1
  )
       ( resid 74 and name HA
  ) 3.3 1.5 0.7 volume=0.773 peak=755 ppm1=1.951 ppm2=3.921

assign ( resid 66 and name HN
  )
       ( resid 65 and name HA
  ) 3.6 1.8 0.7 volume=0.516 peak=254 ppm1=8.257 ppm2=5.088

assign ( resid 64 and name HG1
  )
       ( resid 64 and name HD1
  ) 3.7 1.9 0.7 volume=0.408 peak=1434 ppm1=1.257 ppm2=2.601

assign ( resid 63 and name HA
  )
       ( resid 63 and name HG2
  ) 3.1 1.3 0.6 volume=1.320 peak=1613 ppm1=4.091 ppm2=2.213

assign ( resid 79 and name HG2#
  )
       ( resid 79 and name HB
  ) 2.8 1.0 0.6 volume=2.454 peak=806 ppm1=0.910 ppm2=1.834

assign ( resid 64 and name HN
  )
       ( resid 62 and name HB1
  ) 3.9 2.1 0.8 volume=0.313 peak=145 ppm1=8.727 ppm2=3.274

assign ( resid 68 and name HG1
  )
       ( resid 61 and name HG1#
  ) 3.6 1.8 0.7 volume=0.500 peak=1373 ppm1=1.612 ppm2=0.654

assign ( resid 80 and name HG1
  )
       ( resid 80 and name HA
  ) 3.6 1.8 0.7 volume=0.485 peak=890 ppm1=1.282 ppm2=3.901

assign ( resid 75 and name HA
  )
       ( resid 75 and name HD1#
  ) 2.9 1.1 0.6 volume=1.855 peak=1493 ppm1=3.067 ppm2=0.899

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HD1
  ) 3.6 1.8 0.7 volume=0.481 peak=1040 ppm1=1.678 ppm2=3.038

assign ( resid 74 and name HA
  )
       ( resid 74 and name HN
  ) 3.1 1.3 0.6 volume=1.315 peak=1379 ppm1=3.953 ppm2=6.641

assign ( resid 75 and name HA
  )
       ( resid 76 and name HN
  ) 4.6 2.8 0.9 volume=0.116 peak=1188 ppm1=3.069 ppm2=7.880

assign ( resid 79 and name HB
  )
       ( resid 79 and name HA
  ) 3.5 1.7 0.7 volume=0.632 peak=1393 ppm1=1.864 ppm2=3.526

assign ( resid 67 and name HA
  )
       ( resid 67 and name HN
  ) 2.5 0.7 0.5 volume=4.555 peak=1634 ppm1=3.830 ppm2=7.943

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HA
  ) 4.0 2.2 0.8 volume=0.261 peak=1444 ppm1=1.310 ppm2=4.140

assign ( resid 69 and name HB1
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.4 1.6 0.7 volume=0.668 peak=1507 ppm1=3.387 ppm2=6.964

assign ( resid 76 and name HN
  )
       ( resid 75 and name HB1
  ) 2.8 1.0 0.6 volume=2.176 peak=317 ppm1=7.873 ppm2=1.723

assign ( resid 67 and name HN
  )
       ( resid 67 and name HA
  ) 3.2 1.4 0.6 volume=0.992 peak=172 ppm1=7.953 ppm2=3.783

assign ( resid 78 and name HB2
  )
       ( resid 75 and name HD1#
  ) 3.5 1.7 0.7 volume=0.563 peak=1510 ppm1=2.748 ppm2=0.894

assign ( resid 68 and name HN
  )
       ( resid 61 and name HG1#
  ) 4.1 2.3 0.8 volume=0.223 peak=631 ppm1=7.533 ppm2=0.652

assign ( resid 79 and name HD1#
  )
       ( resid 79 and name HG12
  ) 2.7 0.9 0.5 volume=2.602 peak=1055 ppm1=0.894 ppm2=1.327

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HA
  ) 3.1 1.3 0.6 volume=1.138 peak=904 ppm1=2.654 ppm2=4.216

assign ( resid 74 and name HA
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 3.0 1.2 0.6 volume=1.408 peak=782 ppm1=3.954 ppm2=2.634

assign ( resid 60 and name HD1 or resid 60 and name HD2
  )
       ( resid 59 and name HD1
  ) 3.7 1.9 0.7 volume=0.417 peak=23 ppm1=6.897 ppm2=3.436

assign ( resid 70 and name HN
  )
       ( resid 70 and name HG1#
  ) 2.7 0.9 0.5 volume=3.006 peak=418 ppm1=8.590 ppm2=1.038

assign ( resid 78 and name HN
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 2.7 0.9 0.5 volume=2.729 peak=464 ppm1=7.417 ppm2=2.629

assign ( resid 74 and name HN
  )
       ( resid 74 and name HB2
  ) 2.5 0.7 0.5 volume=4.517 peak=351 ppm1=6.625 ppm2=2.335

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HN
  ) 2.9 1.1 0.6 volume=1.756 peak=982 ppm1=2.737 ppm2=7.414

assign ( resid 77 and name HD22
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 4.1 2.3 0.8 volume=0.241 peak=596 ppm1=6.865 ppm2=2.614

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HA
  ) 4.5 2.7 0.9 volume=0.133 peak=19 ppm1=6.189 ppm2=3.962

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HN
  ) 3.4 1.6 0.7 volume=0.677 peak=1180 ppm1=0.897 ppm2=6.659

assign ( resid 76 and name HA
  )
       ( resid 79 and name HD1#
  ) 2.9 1.1 0.6 volume=1.784 peak=1673 ppm1=3.873 ppm2=0.881

assign ( resid 59 and name HB1
  )
       ( resid 60 and name HN
  ) 4.1 2.3 0.8 volume=0.219 peak=1075 ppm1=1.941 ppm2=8.117

assign ( resid 83 and name HB1
  )
       ( resid 83 and name HB2
  ) 1.8 0.0 0.4 volume=26.934 peak=960 ppm1=2.603 ppm2=2.509

assign ( resid 60 and name HN
  )
       ( resid 59 and name HA
  ) 3.1 1.3 0.6 volume=1.156 peak=288 ppm1=8.105 ppm2=4.207

assign ( resid 78 and name HN
  )
       ( resid 76 and name HA
  ) 3.6 1.8 0.7 volume=0.462 peak=569 ppm1=7.415 ppm2=3.851

assign ( resid 61 and name HG2#
  )
       ( resid 61 and name HN
  ) 3.4 1.6 0.7 volume=0.672 peak=1530 ppm1=0.614 ppm2=8.207

assign ( resid 79 and name HG2#
  )
       ( resid 76 and name HA
  ) 3.5 1.7 0.7 volume=0.572 peak=1359 ppm1=0.910 ppm2=3.855

assign ( resid 74 and name HB1
  )
       ( resid 71 and name HB1
  ) 4.0 2.2 0.8 volume=0.247 peak=1565 ppm1=1.945 ppm2=1.584

assign ( resid 63 and name HB1
  )
       ( resid 63 and name HN
  ) 3.9 2.1 0.8 volume=0.309 peak=1116 ppm1=2.065 ppm2=9.410

assign ( resid 70 and name HN
  )
       ( resid 70 and name HB
  ) 2.7 0.9 0.5 volume=2.737 peak=433 ppm1=8.588 ppm2=2.200

assign ( resid 81 and name HN
  )
       ( resid 81 and name HB1
  ) 3.1 1.3 0.6 volume=1.266 peak=651 ppm1=7.261 ppm2=2.709

assign ( resid 76 and name HN
  )
       ( resid 75 and name HN
  ) 2.9 1.1 0.6 volume=1.911 peak=547 ppm1=7.873 ppm2=6.646

assign ( resid 79 and name HD1#
  )
       ( resid 79 and name HG11
  ) 2.8 1.0 0.6 volume=2.423 peak=1246 ppm1=0.894 ppm2=1.628

assign ( resid 62 and name HB2
  )
       ( resid 79 and name HD1#
  ) 3.0 1.2 0.6 volume=1.353 peak=937 ppm1=2.760 ppm2=0.842

assign ( resid 79 and name HN
  )
       ( resid 78 and name HD2
  ) 4.3 2.5 0.9 volume=0.169 peak=398 ppm1=8.243 ppm2=7.001

assign ( resid 62 and name HB2
  )
       ( resid 62 and name HB1
  ) 2.4 0.6 0.5 volume=5.627 peak=1083 ppm1=2.785 ppm2=3.267

assign ( resid 77 and name HA
  )
       ( resid 77 and name HN
  ) 3.1 1.3 0.6 volume=1.146 peak=964 ppm1=4.247 ppm2=7.433

assign ( resid 70 and name HB
  )
       ( resid 70 and name HG1#
  ) 2.6 0.8 0.5 volume=3.400 peak=1677 ppm1=2.209 ppm2=1.023

assign ( resid 66 and name HN
  )
       ( resid 64 and name HN
  ) 3.5 1.7 0.7 volume=0.588 peak=273 ppm1=8.255 ppm2=8.727

assign ( resid 62 and name HN
  )
       ( resid 61 and name HA
  ) 2.7 0.9 0.5 volume=2.823 peak=517 ppm1=8.833 ppm2=4.565

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HB2
  ) 3.5 1.7 0.7 volume=0.617 peak=67 ppm1=6.184 ppm2=3.126

assign ( resid 64 and name HN
  )
       ( resid 79 and name HD1#
  ) 3.8 2.0 0.8 volume=0.333 peak=499 ppm1=8.728 ppm2=0.876

assign ( resid 79 and name HG11
  )
       ( resid 79 and name HA
  ) 3.8 2.0 0.8 volume=0.347 peak=731 ppm1=1.670 ppm2=3.527

assign ( resid 64 and name HG1
  )
       ( resid 64 and name HA
  ) 4.0 2.2 0.8 volume=0.261 peak=1254 ppm1=1.260 ppm2=4.148

assign ( resid 68 and name HA
  )
       ( resid 68 and name HD1
  ) 4.3 2.5 0.9 volume=0.167 peak=946 ppm1=5.105 ppm2=3.028

assign ( resid 69 and name HN
  )
       ( resid 68 and name HB2
  ) 3.1 1.3 0.6 volume=1.303 peak=416 ppm1=8.821 ppm2=1.280

assign ( resid 79 and name HN
  )
       ( resid 79 and name HG11
  ) 3.1 1.3 0.6 volume=1.314 peak=178 ppm1=8.250 ppm2=1.629

assign ( resid 69 and name HB1
  )
       ( resid 69 and name HB2
  ) 2.9 1.1 0.6 volume=1.656 peak=1096 ppm1=3.386 ppm2=2.429

assign ( resid 60 and name HN
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 3.2 1.4 0.6 volume=0.968 peak=313 ppm1=8.103 ppm2=2.746

assign ( resid 64 and name HG1
  )
       ( resid 65 and name HN
  ) 4.3 2.5 0.9 volume=0.174 peak=1643 ppm1=1.260 ppm2=8.145

assign ( resid 68 and name HG2
  )
       ( resid 68 and name HD1
  ) 3.2 1.4 0.6 volume=1.080 peak=1409 ppm1=1.247 ppm2=3.001

assign ( resid 83 and name HB2
  )
       ( resid 83 and name HN
  ) 3.8 2.0 0.8 volume=0.362 peak=1198 ppm1=2.517 ppm2=7.963

assign ( resid 79 and name HD1#
  )
       ( resid 79 and name HB
  ) 3.0 1.2 0.6 volume=1.569 peak=1609 ppm1=0.894 ppm2=1.822

assign ( resid 76 and name HN
  )
       ( resid 77 and name HN
  ) 3.0 1.2 0.6 volume=1.522 peak=641 ppm1=7.872 ppm2=7.434

assign ( resid 78 and name HB1
  )
       ( resid 79 and name HN
  ) 3.5 1.7 0.7 volume=0.540 peak=1339 ppm1=3.162 ppm2=8.252

assign ( resid 79 and name HB
  )
       ( resid 76 and name HA
  ) 3.5 1.7 0.7 volume=0.601 peak=735 ppm1=1.864 ppm2=3.848

assign ( resid 64 and name HD2
  )
       ( resid 64 and name HB2
  ) 3.4 1.6 0.7 volume=0.682 peak=1130 ppm1=2.432 ppm2=1.425

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HN
  ) 3.9 2.1 0.8 volume=0.283 peak=878 ppm1=2.468 ppm2=8.821

assign ( resid 69 and name HB2
  )
       ( resid 71 and name HN
  ) 4.2 2.4 0.8 volume=0.191 peak=933 ppm1=2.470 ppm2=7.492

assign ( resid 79 and name HB
  )
       ( resid 79 and name HD1#
  ) 2.7 0.9 0.5 volume=2.624 peak=740 ppm1=1.863 ppm2=0.881

assign ( resid 77 and name HN
  )
       ( resid 76 and name HB#
  ) 2.8 1.0 0.6 volume=2.245 peak=392 ppm1=7.444 ppm2=1.229

assign ( resid 70 and name HA
  )
       ( resid 70 and name HG1#
  ) 3.0 1.2 0.6 volume=1.589 peak=1471 ppm1=4.177 ppm2=1.029

assign ( resid 61 and name HB
  )
       ( resid 61 and name HG1#
  or resid 61 and name HG2#
  ) 2.3 0.5 0.5 volume=6.763 peak=943 ppm1=1.717 ppm2=0.642

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HN
  ) 4.2 2.4 0.8 volume=0.207 peak=42 ppm1=7.006 ppm2=8.241

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HA
  ) 4.1 2.3 0.8 volume=0.219 peak=66 ppm1=7.003 ppm2=3.529

assign ( resid 79 and name HD1#
  )
       ( resid 79 and name HN
  ) 3.8 2.0 0.8 volume=0.354 peak=1211 ppm1=0.894 ppm2=8.267

assign ( resid 63 and name HN
  )
       ( resid 63 and name HG1
  or resid 63 and name HG2
  ) 3.5 1.7 0.7 volume=0.627 peak=194 ppm1=9.406 ppm2=2.226

assign ( resid 74 and name HB1
  )
       ( resid 71 and name HN
  ) 4.0 2.2 0.8 volume=0.280 peak=1029 ppm1=1.948 ppm2=7.482

assign ( resid 69 and name HB2
  )
       ( resid 74 and name HB1
  ) 4.2 2.4 0.8 volume=0.194 peak=1466 ppm1=2.467 ppm2=1.946

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 71 and name HN
  ) 4.3 2.5 0.9 volume=0.172 peak=82 ppm1=6.964 ppm2=7.494

assign ( resid 74 and name HB1
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.4 1.6 0.7 volume=0.682 peak=1277 ppm1=1.949 ppm2=6.965

assign ( resid 75 and name HD2#
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 3.0 1.2 0.6 volume=1.503 peak=1457 ppm1=0.955 ppm2=2.798

assign ( resid 73 and name HA
  )
       ( resid 76 and name HN
  ) 3.7 1.9 0.7 volume=0.397 peak=984 ppm1=3.961 ppm2=7.887

assign ( resid 79 and name HG11
  )
       ( resid 79 and name HG2#
  ) 2.9 1.1 0.6 volume=1.826 peak=1442 ppm1=1.668 ppm2=0.910

assign ( resid 76 and name HN
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 3.8 2.0 0.8 volume=0.362 peak=200 ppm1=7.871 ppm2=2.632

assign ( resid 61 and name HG2#
  )
       ( resid 68 and name HG2
  ) 3.7 1.9 0.7 volume=0.411 peak=1390 ppm1=0.616 ppm2=1.245

assign ( resid 80 and name HA
  )
       ( resid 80 and name HN
  ) 2.9 1.1 0.6 volume=1.971 peak=1557 ppm1=3.922 ppm2=7.300

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HG12
  ) 4.1 2.3 0.8 volume=0.241 peak=88 ppm1=7.004 ppm2=1.326

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HB1
  ) 3.1 1.3 0.6 volume=1.303 peak=1665 ppm1=2.467 ppm2=3.359

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 69 and name HB1
  ) 3.5 1.7 0.7 volume=0.628 peak=38 ppm1=6.964 ppm2=3.355

assign ( resid 71 and name HN
  )
       ( resid 74 and name HN
  ) 3.7 1.9 0.7 volume=0.402 peak=457 ppm1=7.485 ppm2=6.633

assign ( resid 65 and name HB1
  )
       ( resid 65 and name HA
  ) 3.0 1.2 0.6 volume=1.463 peak=998 ppm1=3.362 ppm2=5.082

assign ( resid 71 and name HN
  )
       ( resid 69 and name HB1
  ) 3.2 1.4 0.6 volume=0.942 peak=622 ppm1=7.491 ppm2=3.355

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HA
  ) 4.1 2.3 0.8 volume=0.225 peak=1080 ppm1=1.672 ppm2=5.075

assign ( resid 62 and name HA
  )
       ( resid 63 and name HN
  ) 4.2 2.4 0.8 volume=0.205 peak=1207 ppm1=4.480 ppm2=9.407

assign ( resid 79 and name HB
  )
       ( resid 79 and name HG12
  ) 3.3 1.5 0.7 volume=0.901 peak=1399 ppm1=1.863 ppm2=1.333

assign ( resid 59 and name HA
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 4.6 2.8 0.9 volume=0.111 peak=1574 ppm1=4.231 ppm2=6.894

assign ( resid 70 and name HG2#
  )
       ( resid 70 and name HB
  ) 2.7 0.9 0.5 volume=2.683 peak=661 ppm1=1.087 ppm2=2.187

assign ( resid 65 and name HN
  )
       ( resid 65 and name HB1
  ) 3.1 1.3 0.6 volume=1.226 peak=112 ppm1=8.134 ppm2=3.321

assign ( resid 79 and name HD1#
  )
       ( resid 75 and name HA
  ) 4.1 2.3 0.8 volume=0.232 peak=1291 ppm1=0.894 ppm2=3.074

assign ( resid 62 and name HB2
  )
       ( resid 65 and name HN
  ) 3.6 1.8 0.7 volume=0.490 peak=706 ppm1=2.776 ppm2=8.136

assign ( resid 83 and name HB1
  )
       ( resid 83 and name HA
  ) 4.1 2.3 0.8 volume=0.220 peak=910 ppm1=2.604 ppm2=4.309

assign ( resid 77 and name HN
  )
       ( resid 76 and name HN
  ) 3.0 1.2 0.6 volume=1.444 peak=209 ppm1=7.443 ppm2=7.877

assign ( resid 79 and name HA
  )
       ( resid 82 and name HB1
  ) 3.8 2.0 0.8 volume=0.336 peak=1375 ppm1=3.557 ppm2=2.866

assign ( resid 69 and name HB1
  )
       ( resid 75 and name HB2
  ) 4.2 2.4 0.8 volume=0.206 peak=1316 ppm1=3.384 ppm2=1.036

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HB2
  ) 2.6 0.8 0.5 volume=3.824 peak=1406 ppm1=1.679 ppm2=1.314

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HD1
  ) 4.2 2.4 0.8 volume=0.189 peak=1628 ppm1=1.308 ppm2=2.583

assign ( resid 79 and name HG11
  )
       ( resid 78 and name HD2
  ) 4.1 2.3 0.8 volume=0.222 peak=670 ppm1=1.668 ppm2=7.013

assign ( resid 64 and name HG2
  )
       ( resid 64 and name HN
  ) 3.7 1.9 0.7 volume=0.406 peak=766 ppm1=1.385 ppm2=8.730

assign ( resid 69 and name HN
  )
       ( resid 68 and name HN
  ) 4.2 2.4 0.8 volume=0.196 peak=205 ppm1=8.817 ppm2=7.536

assign ( resid 79 and name HA
  )
       ( resid 79 and name HG2#
  ) 3.0 1.2 0.6 volume=1.371 peak=862 ppm1=3.557 ppm2=0.907

assign ( resid 64 and name HD1
  )
       ( resid 64 and name HB1
  ) 3.1 1.3 0.6 volume=1.283 peak=1027 ppm1=2.603 ppm2=1.305

assign ( resid 64 and name HN
  )
       ( resid 66 and name HN
  ) 3.3 1.5 0.7 volume=0.830 peak=294 ppm1=8.727 ppm2=8.269

assign ( resid 83 and name HN
  )
       ( resid 82 and name HA
  ) 2.7 0.9 0.5 volume=2.716 peak=548 ppm1=7.965 ppm2=3.958

assign ( resid 74 and name HN
  )
       ( resid 71 and name HN
  ) 3.3 1.5 0.7 volume=0.762 peak=607 ppm1=6.626 ppm2=7.484

assign ( resid 74 and name HB2
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.8 2.0 0.8 volume=0.354 peak=1141 ppm1=2.349 ppm2=6.963

assign ( resid 61 and name HG1#
  )
       ( resid 61 and name HB
  ) 2.3 0.5 0.5 volume=6.793 peak=953 ppm1=0.673 ppm2=1.690

assign ( resid 61 and name HN
  )
       ( resid 60 and name HA
  ) 2.7 0.9 0.5 volume=2.859 peak=380 ppm1=8.239 ppm2=4.412

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HD2
  ) 4.2 2.4 0.8 volume=0.208 peak=776 ppm1=1.303 ppm2=2.413

assign ( resid 63 and name HG1
  or resid 63 and name HG2
  )
       ( resid 63 and name HA
  ) 3.6 1.8 0.7 volume=0.510 peak=1227 ppm1=2.257 ppm2=4.063

assign ( resid 79 and name HB
  )
       ( resid 78 and name HD2
  ) 4.7 2.9 0.9 volume=0.099 peak=1303 ppm1=1.863 ppm2=6.997

assign ( resid 83 and name HN
  )
       ( resid 83 and name HB1
  ) 3.0 1.2 0.6 volume=1.417 peak=330 ppm1=7.962 ppm2=2.587

assign ( resid 73 and name HB1
  or resid 73 and name HB2
  )
       ( resid 74 and name HN
  ) 4.2 2.4 0.8 volume=0.186 peak=1541 ppm1=3.733 ppm2=6.630

assign ( resid 79 and name HG2#
  )
       ( resid 78 and name HD2
  ) 3.7 1.9 0.7 volume=0.413 peak=1350 ppm1=0.911 ppm2=7.006

assign ( resid 62 and name HN
  )
       ( resid 61 and name HG2#
  ) 3.2 1.4 0.6 volume=1.038 peak=166 ppm1=8.837 ppm2=0.594

assign ( resid 60 and name HD1 or resid 60 and name HD2
  )
       ( resid 61 and name HN
  ) 4.1 2.3 0.8 volume=0.234 peak=68 ppm1=6.896 ppm2=8.259

assign ( resid 74 and name HN
  )
       ( resid 74 and name HA
  ) 2.9 1.1 0.6 volume=1.841 peak=573 ppm1=6.625 ppm2=3.910

assign ( resid 79 and name HN
  )
       ( resid 79 and name HG2#
  ) 3.0 1.2 0.6 volume=1.464 peak=514 ppm1=8.250 ppm2=0.903

assign ( resid 74 and name HG2
  or resid 74 and name HG1
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.9 2.1 0.8 volume=0.298 peak=720 ppm1=2.416 ppm2=6.931

assign ( resid 83 and name HA
  )
       ( resid 83 and name HB1
  ) 3.2 1.4 0.6 volume=0.981 peak=950 ppm1=4.334 ppm2=2.595

assign ( resid 68 and name HA
  )
       ( resid 68 and name HG1
  ) 3.0 1.2 0.6 volume=1.412 peak=1652 ppm1=5.107 ppm2=1.608

assign ( resid 75 and name HB2
  )
       ( resid 76 and name HN
  ) 3.9 2.1 0.8 volume=0.329 peak=821 ppm1=1.042 ppm2=7.900

assign ( resid 68 and name HN
  )
       ( resid 69 and name HN
  ) 4.1 2.3 0.8 volume=0.225 peak=110 ppm1=7.530 ppm2=8.813

assign ( resid 59 and name HA
  )
       ( resid 59 and name HG2
  ) 3.1 1.3 0.6 volume=1.099 peak=1309 ppm1=4.235 ppm2=1.765

assign ( resid 68 and name HG2
  )
       ( resid 61 and name HG1#
  ) 3.3 1.5 0.7 volume=0.794 peak=663 ppm1=1.248 ppm2=0.657

assign ( resid 75 and name HB1
  )
       ( resid 69 and name HB2
  ) 4.5 2.7 0.9 volume=0.132 peak=1676 ppm1=1.745 ppm2=2.472

assign ( resid 62 and name HN
  )
       ( resid 61 and name HB
  ) 3.9 2.1 0.8 volume=0.288 peak=165 ppm1=8.834 ppm2=1.692

assign ( resid 71 and name HN
  )
       ( resid 71 and name HA
  ) 3.2 1.4 0.6 volume=0.976 peak=563 ppm1=7.489 ppm2=4.739

assign ( resid 70 and name HA
  )
       ( resid 71 and name HN
  ) 4.1 2.3 0.8 volume=0.218 peak=883 ppm1=4.177 ppm2=7.497

assign ( resid 70 and name HN
  )
       ( resid 70 and name HA
  ) 3.2 1.4 0.6 volume=0.974 peak=229 ppm1=8.588 ppm2=4.166

assign ( resid 79 and name HD1#
  )
       ( resid 64 and name HN
  ) 4.6 2.8 0.9 volume=0.116 peak=1034 ppm1=0.896 ppm2=8.723

assign ( resid 78 and name HN
  )
       ( resid 75 and name HN
  ) 4.0 2.2 0.8 volume=0.248 peak=466 ppm1=7.423 ppm2=6.642

assign ( resid 80 and name HG1
  )
       ( resid 80 and name HD2
  ) 3.2 1.4 0.6 volume=1.013 peak=733 ppm1=1.280 ppm2=3.009

assign ( resid 74 and name HB2
  )
       ( resid 71 and name HB1
  ) 4.2 2.4 0.8 volume=0.185 peak=1356 ppm1=2.348 ppm2=1.584

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HN
  ) 3.0 1.2 0.6 volume=1.516 peak=1287 ppm1=3.163 ppm2=7.414

assign ( resid 64 and name HN
  )
       ( resid 63 and name HA
  ) 3.0 1.2 0.6 volume=1.420 peak=230 ppm1=8.730 ppm2=4.073

assign ( resid 65 and name HN
  )
       ( resid 66 and name HN
  ) 2.4 0.6 0.5 volume=5.041 peak=640 ppm1=8.132 ppm2=8.259

assign ( resid 70 and name HB
  )
       ( resid 70 and name HN
  ) 3.2 1.4 0.6 volume=1.000 peak=796 ppm1=2.208 ppm2=8.603

assign ( resid 63 and name HN
  )
       ( resid 64 and name HN
  ) 3.3 1.5 0.7 volume=0.838 peak=126 ppm1=9.396 ppm2=8.729

assign ( resid 79 and name HA
  )
       ( resid 82 and name HB2
  ) 3.4 1.6 0.7 volume=0.708 peak=1323 ppm1=3.558 ppm2=3.121

assign ( resid 67 and name HN
  )
       ( resid 62 and name HB2
  ) 3.5 1.7 0.7 volume=0.621 peak=473 ppm1=7.953 ppm2=2.738

assign ( resid 78 and name HD2
  )
       ( resid 82 and name HD2
  ) 3.6 1.8 0.7 volume=0.481 peak=25 ppm1=7.000 ppm2=6.188

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HB2
  ) 2.6 0.8 0.5 volume=3.651 peak=688 ppm1=1.741 ppm2=0.995

assign ( resid 74 and name HB2
  )
       ( resid 69 and name HB1
  ) 3.9 2.1 0.8 volume=0.324 peak=1146 ppm1=2.344 ppm2=3.364

assign ( resid 64 and name HG2
  )
       ( resid 64 and name HA
  ) 4.0 2.2 0.8 volume=0.259 peak=918 ppm1=1.385 ppm2=4.149

assign ( resid 76 and name HN
  )
       ( resid 76 and name HA
  ) 2.6 0.8 0.5 volume=3.415 peak=367 ppm1=7.874 ppm2=3.842

assign ( resid 60 and name HB1
  or resid 60 and name HB2
  )
       ( resid 75 and name HD1#
  ) 2.9 1.1 0.6 volume=1.926 peak=1105 ppm1=2.785 ppm2=0.888

assign ( resid 79 and name HB
  )
       ( resid 79 and name HG11
  ) 2.5 0.7 0.5 volume=3.982 peak=749 ppm1=1.863 ppm2=1.663

assign ( resid 64 and name HA
  )
       ( resid 64 and name HG1
  ) 3.0 1.2 0.6 volume=1.573 peak=1186 ppm1=4.154 ppm2=1.266

assign ( resid 78 and name HB1
  )
       ( resid 75 and name HD1#
  ) 3.5 1.7 0.7 volume=0.578 peak=1433 ppm1=3.166 ppm2=0.894

assign ( resid 82 and name HB1
  )
       ( resid 82 and name HA
  ) 3.4 1.6 0.7 volume=0.695 peak=1612 ppm1=2.894 ppm2=3.974

assign ( resid 59 and name HB2
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 4.5 2.7 0.9 volume=0.123 peak=804 ppm1=1.335 ppm2=6.904

assign ( resid 68 and name HN
  )
       ( resid 68 and name HD2
  ) 4.0 2.2 0.8 volume=0.250 peak=142 ppm1=7.527 ppm2=3.121

assign ( resid 67 and name HB2
  )
       ( resid 67 and name HN
  ) 3.2 1.4 0.6 volume=0.945 peak=1018 ppm1=1.331 ppm2=7.955

assign ( resid 74 and name HN
  )
       ( resid 74 and name HB1
  ) 3.1 1.3 0.6 volume=1.288 peak=540 ppm1=6.628 ppm2=1.939

assign ( resid 78 and name HA
  )
       ( resid 78 and name HB2
  ) 2.7 0.9 0.5 volume=2.921 peak=1506 ppm1=4.144 ppm2=2.712

assign ( resid 65 and name HA
  )
       ( resid 65 and name HB1
  ) 2.8 1.0 0.6 volume=2.411 peak=1368 ppm1=5.134 ppm2=3.332

assign ( resid 80 and name HG2
  )
       ( resid 80 and name HA
  ) 3.7 1.9 0.7 volume=0.406 peak=696 ppm1=1.416 ppm2=3.906

assign ( resid 79 and name HG2#
  )
       ( resid 80 and name HN
  ) 3.6 1.8 0.7 volume=0.472 peak=887 ppm1=0.910 ppm2=7.308

assign ( resid 75 and name HA
  )
       ( resid 75 and name HN
  ) 3.5 1.7 0.7 volume=0.626 peak=786 ppm1=3.066 ppm2=6.662

assign ( resid 82 and name HN
  )
       ( resid 79 and name HA
  ) 4.0 2.2 0.8 volume=0.258 peak=115 ppm1=7.336 ppm2=3.519

assign ( resid 82 and name HB1
  )
       ( resid 79 and name HD1#
  ) 4.1 2.3 0.8 volume=0.233 peak=1617 ppm1=2.893 ppm2=0.848

assign ( resid 83 and name HN
  )
       ( resid 83 and name HA
  ) 3.2 1.4 0.6 volume=1.031 peak=156 ppm1=7.964 ppm2=4.300

assign ( resid 64 and name HA
  )
       ( resid 64 and name HG2
  ) 2.8 1.0 0.6 volume=2.146 peak=1017 ppm1=4.153 ppm2=1.389

assign ( resid 69 and name HN
  )
       ( resid 61 and name HG1#
  ) 4.1 2.3 0.8 volume=0.239 peak=331 ppm1=8.824 ppm2=0.640

assign ( resid 71 and name HB1
  )
       ( resid 71 and name HN
  ) 3.6 1.8 0.7 volume=0.489 peak=903 ppm1=1.609 ppm2=7.489

assign ( resid 65 and name HB2
  )
       ( resid 65 and name HB1
  ) 2.5 0.7 0.5 volume=4.141 peak=1046 ppm1=2.832 ppm2=3.357

assign ( resid 78 and name HN
  )
       ( resid 78 and name HB1
  ) 2.6 0.8 0.5 volume=3.342 peak=463 ppm1=7.418 ppm2=3.124

assign ( resid 75 and name HD1#
  )
       ( resid 79 and name HG11
  ) 3.3 1.5 0.7 volume=0.839 peak=785 ppm1=0.898 ppm2=1.682

assign ( resid 75 and name HN
  )
       ( resid 76 and name HN
  ) 2.9 1.1 0.6 volume=1.694 peak=342 ppm1=6.649 ppm2=7.877

assign ( resid 83 and name HN
  )
       ( resid 82 and name HB1
  ) 3.9 2.1 0.8 volume=0.310 peak=280 ppm1=7.964 ppm2=2.860

assign ( resid 69 and name HB1
  )
       ( resid 75 and name HD2#
  ) 4.2 2.4 0.8 volume=0.209 peak=1428 ppm1=3.383 ppm2=0.960

assign ( resid 79 and name HG12
  )
       ( resid 78 and name HD2
  ) 4.2 2.4 0.8 volume=0.191 peak=983 ppm1=1.360 ppm2=6.984

assign ( resid 63 and name HB1
  )
       ( resid 63 and name HA
  ) 3.4 1.6 0.7 volume=0.653 peak=1358 ppm1=2.063 ppm2=4.068

assign ( resid 65 and name HN
  )
       ( resid 64 and name HN
  ) 2.8 1.0 0.6 volume=2.278 peak=617 ppm1=8.134 ppm2=8.729

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HD22
  ) 4.1 2.3 0.8 volume=0.239 peak=1576 ppm1=2.657 ppm2=6.880

assign ( resid 79 and name HA
  )
       ( resid 79 and name HG12
  ) 3.3 1.5 0.7 volume=0.784 peak=1181 ppm1=3.558 ppm2=1.326

assign ( resid 69 and name HB1
  )
       ( resid 75 and name HN
  ) 4.0 2.2 0.8 volume=0.257 peak=1062 ppm1=3.386 ppm2=6.657

assign ( resid 78 and name HN
  )
       ( resid 78 and name HB2
  ) 2.6 0.8 0.5 volume=3.876 peak=450 ppm1=7.419 ppm2=2.708

assign ( resid 75 and name HD1#
  )
       ( resid 63 and name HN
  ) 4.7 2.9 0.9 volume=0.104 peak=1660 ppm1=0.901 ppm2=9.400

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HN
  ) 3.5 1.7 0.7 volume=0.628 peak=1420 ppm1=1.041 ppm2=6.650

assign ( resid 67 and name HG2
  )
       ( resid 67 and name HE2
  ) 3.6 1.8 0.7 volume=0.495 peak=1678 ppm1=1.297 ppm2=2.821

assign ( resid 82 and name HB1
  )
       ( resid 79 and name HA
  ) 3.7 1.9 0.7 volume=0.424 peak=979 ppm1=2.896 ppm2=3.518

assign ( resid 71 and name HB1
  )
       ( resid 74 and name HN
  ) 3.6 1.8 0.7 volume=0.524 peak=907 ppm1=1.605 ppm2=6.639

assign ( resid 76 and name HB#
  )
       ( resid 76 and name HA
  ) 2.6 0.8 0.5 volume=3.905 peak=1115 ppm1=1.259 ppm2=3.856

assign ( resid 62 and name HB1
  )
       ( resid 62 and name HN
  ) 3.2 1.4 0.6 volume=1.090 peak=1228 ppm1=3.288 ppm2=8.824

assign ( resid 59 and name HD2
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 3.9 2.1 0.8 volume=0.289 peak=1070 ppm1=3.602 ppm2=6.886

assign ( resid 61 and name HN
  )
       ( resid 75 and name HD1#
  ) 3.6 1.8 0.7 volume=0.477 peak=432 ppm1=8.242 ppm2=0.871

assign ( resid 77 and name HN
  )
       ( resid 75 and name HN
  ) 4.2 2.4 0.8 volume=0.187 peak=490 ppm1=7.445 ppm2=6.640

assign ( resid 67 and name HN
  )
       ( resid 67 and name HB2
  ) 2.7 0.9 0.5 volume=2.716 peak=650 ppm1=7.954 ppm2=1.323

assign ( resid 60 and name HD1 or resid 60 and name HD2
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 2.7 0.9 0.5 volume=2.698 peak=35 ppm1=6.897 ppm2=2.773

assign ( resid 62 and name HA
  )
       ( resid 62 and name HB2
  ) 4.0 2.2 0.8 volume=0.271 peak=1166 ppm1=4.480 ppm2=2.755

assign ( resid 80 and name HG2
  )
       ( resid 80 and name HN
  ) 3.7 1.9 0.7 volume=0.439 peak=1245 ppm1=1.413 ppm2=7.295

assign ( resid 68 and name HA
  )
       ( resid 61 and name HG1#
  ) 3.6 1.8 0.7 volume=0.492 peak=1382 ppm1=5.107 ppm2=0.650

assign ( resid 70 and name HN
  )
       ( resid 71 and name HB1
  ) 4.1 2.3 0.8 volume=0.230 peak=440 ppm1=8.590 ppm2=1.629

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HD1
  ) 4.2 2.4 0.8 volume=0.184 peak=787 ppm1=1.430 ppm2=2.585

assign ( resid 76 and name HB#
  )
       ( resid 76 and name HN
  ) 2.7 0.9 0.5 volume=2.957 peak=1311 ppm1=1.255 ppm2=7.881

assign ( resid 61 and name HN
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 4.6 2.8 0.9 volume=0.112 peak=269 ppm1=8.241 ppm2=6.899

assign ( resid 75 and name HB1
  )
       ( resid 60 and name HB1
  or resid 60 and name HB2
  ) 3.6 1.8 0.7 volume=0.536 peak=677 ppm1=1.739 ppm2=2.765

assign ( resid 75 and name HD2#
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 3.8 2.0 0.8 volume=0.371 peak=1467 ppm1=0.958 ppm2=6.899

assign ( resid 71 and name HN
  )
       ( resid 71 and name HG2
  ) 2.7 0.9 0.5 volume=2.659 peak=616 ppm1=7.490 ppm2=2.258

assign ( resid 82 and name HA
  )
       ( resid 82 and name HN
  ) 2.9 1.1 0.6 volume=1.658 peak=857 ppm1=3.994 ppm2=7.357

assign ( resid 77 and name HN
  )
       ( resid 79 and name HN
  ) 4.0 2.2 0.8 volume=0.250 peak=594 ppm1=7.442 ppm2=8.240

assign ( resid 63 and name HN
  )
       ( resid 79 and name HD1#
  ) 3.9 2.1 0.8 volume=0.291 peak=602 ppm1=9.396 ppm2=0.881

assign ( resid 67 and name HB1
  )
       ( resid 67 and name HA
  ) 3.4 1.6 0.7 volume=0.645 peak=1252 ppm1=1.089 ppm2=3.812

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HB1
  ) 2.2 0.4 0.4 volume=9.200 peak=945 ppm1=2.756 ppm2=3.144

assign ( resid 68 and name HN
  )
       ( resid 68 and name HB2
  ) 2.6 0.8 0.5 volume=3.411 peak=405 ppm1=7.529 ppm2=1.306

assign ( resid 83 and name HB2
  )
       ( resid 83 and name HB1
  ) 2.0 0.2 0.4 volume=19.189 peak=1093 ppm1=2.514 ppm2=2.596

assign ( resid 74 and name HA
  )
       ( resid 74 and name HB2
  ) 2.7 0.9 0.5 volume=2.845 peak=1310 ppm1=3.951 ppm2=2.326

assign ( resid 77 and name HN
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 2.5 0.7 0.5 volume=4.504 peak=465 ppm1=7.443 ppm2=2.612

assign ( resid 64 and name HN
  )
       ( resid 63 and name HN
  ) 3.2 1.4 0.6 volume=1.043 peak=279 ppm1=8.729 ppm2=9.381

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 68 and name HA
  ) 4.7 2.9 0.9 volume=0.106 peak=15 ppm1=6.968 ppm2=5.074

assign ( resid 74 and name HB2
  )
       ( resid 71 and name HN
  ) 4.0 2.2 0.8 volume=0.267 peak=1343 ppm1=2.350 ppm2=7.489

assign ( resid 75 and name HN
  )
       ( resid 77 and name HN
  ) 3.3 1.5 0.7 volume=0.762 peak=629 ppm1=6.644 ppm2=7.451

assign ( resid 64 and name HG1
  )
       ( resid 64 and name HN
  ) 3.7 1.9 0.7 volume=0.406 peak=1131 ppm1=1.260 ppm2=8.730

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HN
  ) 2.6 0.8 0.5 volume=3.792 peak=934 ppm1=2.654 ppm2=7.441

assign ( resid 80 and name HN
  )
       ( resid 80 and name HB2
  ) 2.6 0.8 0.5 volume=3.151 peak=394 ppm1=7.293 ppm2=1.655

assign ( resid 66 and name HA2
  )
       ( resid 61 and name HG1#
  ) 3.4 1.6 0.7 volume=0.717 peak=1473 ppm1=4.125 ppm2=0.653

assign ( resid 79 and name HD1#
  )
       ( resid 76 and name HA
  ) 3.5 1.7 0.7 volume=0.540 peak=1504 ppm1=0.894 ppm2=3.847

assign ( resid 79 and name HG11
  )
       ( resid 79 and name HD1#
  ) 2.9 1.1 0.6 volume=1.914 peak=765 ppm1=1.669 ppm2=0.876

assign ( resid 73 and name HA
  )
       ( resid 77 and name HN
  ) 4.3 2.5 0.9 volume=0.170 peak=1459 ppm1=3.957 ppm2=7.439

assign ( resid 74 and name HB1
  )
       ( resid 74 and name HB2
  ) 2.5 0.7 0.5 volume=4.399 peak=1604 ppm1=1.950 ppm2=2.333

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HD2
  ) 3.5 1.7 0.7 volume=0.546 peak=1331 ppm1=3.164 ppm2=7.009

assign ( resid 80 and name HN
  )
       ( resid 80 and name HG2
  ) 2.6 0.8 0.5 volume=3.157 peak=476 ppm1=7.296 ppm2=1.381

assign ( resid 61 and name HN
  )
       ( resid 61 and name HB
  ) 2.9 1.1 0.6 volume=1.785 peak=193 ppm1=8.236 ppm2=1.688

assign ( resid 62 and name HA
  )
       ( resid 62 and name HB1
  ) 4.5 2.7 0.9 volume=0.138 peak=1465 ppm1=4.479 ppm2=3.276

assign ( resid 79 and name HB
  )
       ( resid 79 and name HN
  ) 3.1 1.3 0.6 volume=1.270 peak=1682 ppm1=1.864 ppm2=8.267

assign ( resid 69 and name HN
  )
       ( resid 68 and name HG1
  ) 3.1 1.3 0.6 volume=1.249 peak=526 ppm1=8.822 ppm2=1.595

assign ( resid 68 and name HB2
  )
       ( resid 61 and name HG1#
  ) 3.8 2.0 0.8 volume=0.333 peak=843 ppm1=1.318 ppm2=0.655

assign ( resid 79 and name HD1#
  )
       ( resid 79 and name HA
  ) 3.7 1.9 0.7 volume=0.452 peak=1275 ppm1=0.893 ppm2=3.526

assign ( resid 68 and name HA
  )
       ( resid 68 and name HN
  ) 3.7 1.9 0.7 volume=0.401 peak=1451 ppm1=5.104 ppm2=7.539

assign ( resid 75 and name HA
  )
       ( resid 75 and name HB1
  ) 3.4 1.6 0.7 volume=0.687 peak=1664 ppm1=3.068 ppm2=1.731

assign ( resid 64 and name HD2
  )
       ( resid 64 and name HD1
  ) 2.4 0.6 0.5 volume=5.802 peak=1636 ppm1=2.436 ppm2=2.599

assign ( resid 75 and name HD1#
  )
       ( resid 69 and name HB2
  ) 4.3 2.5 0.9 volume=0.177 peak=949 ppm1=0.901 ppm2=2.440

assign ( resid 67 and name HN
  )
       ( resid 67 and name HG1
  ) 3.8 2.0 0.8 volume=0.340 peak=484 ppm1=7.953 ppm2=0.879

assign ( resid 79 and name HG12
  )
       ( resid 82 and name HD2
  ) 4.6 2.8 0.9 volume=0.118 peak=1208 ppm1=1.360 ppm2=6.184

assign ( resid 70 and name HN
  )
       ( resid 69 and name HB2
  ) 3.3 1.5 0.7 volume=0.875 peak=199 ppm1=8.586 ppm2=2.421

assign ( resid 69 and name HB2
  )
       ( resid 75 and name HB2
  ) 3.7 1.9 0.7 volume=0.386 peak=1057 ppm1=2.470 ppm2=1.025

assign ( resid 69 and name HB2
  )
       ( resid 75 and name HN
  ) 4.0 2.2 0.8 volume=0.274 peak=1553 ppm1=2.463 ppm2=6.665

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HB1
  ) 3.8 2.0 0.8 volume=0.330 peak=87 ppm1=6.186 ppm2=2.871

assign ( resid 82 and name HB1
  )
       ( resid 82 and name HN
  ) 3.2 1.4 0.6 volume=0.959 peak=1454 ppm1=2.900 ppm2=7.356

assign ( resid 64 and name HA
  )
       ( resid 64 and name HB1
  ) 2.8 1.0 0.6 volume=2.210 peak=1611 ppm1=4.155 ppm2=1.308

assign ( resid 74 and name HA
  )
       ( resid 74 and name HB1
  ) 3.0 1.2 0.6 volume=1.576 peak=992 ppm1=3.954 ppm2=1.933

assign ( resid 80 and name HN
  )
       ( resid 80 and name HA
  ) 2.9 1.1 0.6 volume=1.769 peak=621 ppm1=7.293 ppm2=3.906

assign ( resid 80 and name HN
  )
       ( resid 77 and name HA
  ) 3.6 1.8 0.7 volume=0.535 peak=162 ppm1=7.291 ppm2=4.196

assign ( resid 80 and name HD2
  or resid 80 and name HD1
  )
       ( resid 80 and name HN
  ) 3.8 2.0 0.8 volume=0.367 peak=1196 ppm1=3.025 ppm2=7.283

assign ( resid 63 and name HA
  )
       ( resid 63 and name HB2
  ) 2.7 0.9 0.5 volume=3.069 peak=1395 ppm1=4.091 ppm2=2.006

assign ( resid 79 and name HD1#
  )
       ( resid 78 and name HD2
  ) 4.0 2.2 0.8 volume=0.256 peak=1570 ppm1=0.893 ppm2=6.992

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HA
  ) 3.9 2.1 0.8 volume=0.311 peak=855 ppm1=1.425 ppm2=4.140

assign ( resid 62 and name HB2
  )
       ( resid 62 and name HN
  ) 3.2 1.4 0.6 volume=1.032 peak=675 ppm1=2.781 ppm2=8.826

assign ( resid 79 and name HG2#
  )
       ( resid 79 and name HA
  ) 3.2 1.4 0.6 volume=1.093 peak=1492 ppm1=0.910 ppm2=3.528

assign ( resid 70 and name HG1#
  )
       ( resid 70 and name HA
  ) 3.3 1.5 0.7 volume=0.793 peak=709 ppm1=1.027 ppm2=4.147

assign ( resid 67 and name HB1
  )
       ( resid 67 and name HN
  ) 3.3 1.5 0.7 volume=0.839 peak=1236 ppm1=1.087 ppm2=7.950

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HB1
  ) 3.2 1.4 0.6 volume=0.977 peak=1653 ppm1=0.957 ppm2=1.728

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 76 and name HB#
  ) 3.7 1.9 0.7 volume=0.391 peak=990 ppm1=2.655 ppm2=1.232

assign ( resid 60 and name HA
  )
       ( resid 61 and name HN
  ) 3.7 1.9 0.7 volume=0.438 peak=962 ppm1=4.437 ppm2=8.248

assign ( resid 82 and name HN
  )
       ( resid 83 and name HN
  ) 4.2 2.4 0.8 volume=0.191 peak=601 ppm1=7.334 ppm2=7.956

assign ( resid 76 and name HN
  )
       ( resid 75 and name HD1#
  ) 3.1 1.3 0.6 volume=1.114 peak=221 ppm1=7.873 ppm2=0.909

assign ( resid 59 and name HD2
  )
       ( resid 59 and name HG1
  ) 2.8 1.0 0.6 volume=2.223 peak=1024 ppm1=3.605 ppm2=1.620

assign ( resid 79 and name HA
  )
       ( resid 79 and name HB
  ) 3.3 1.5 0.7 volume=0.838 peak=1509 ppm1=3.559 ppm2=1.829

assign ( resid 79 and name HB
  )
       ( resid 82 and name HD2
  ) 4.9 3.1 1.0 volume=0.080 peak=1074 ppm1=1.873 ppm2=6.191

assign ( resid 80 and name HD2
  or resid 80 and name HD1
  )
       ( resid 80 and name HA
  ) 3.2 1.4 0.6 volume=0.915 peak=1226 ppm1=3.025 ppm2=3.917

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HN
  ) 3.4 1.6 0.7 volume=0.658 peak=1068 ppm1=1.745 ppm2=6.645

assign ( resid 68 and name HN
  )
       ( resid 68 and name HG2
  ) 2.6 0.8 0.5 volume=3.411 peak=293 ppm1=7.529 ppm2=1.249

assign ( resid 79 and name HB
  )
       ( resid 80 and name HN
  ) 3.5 1.7 0.7 volume=0.630 peak=1346 ppm1=1.863 ppm2=7.306

assign ( resid 71 and name HN
  )
       ( resid 71 and name HG1
  ) 2.7 0.9 0.5 volume=2.659 peak=605 ppm1=7.490 ppm2=2.298

assign ( resid 65 and name HB1
  )
       ( resid 65 and name HN
  ) 3.5 1.7 0.7 volume=0.616 peak=1137 ppm1=3.359 ppm2=8.129

assign ( resid 74 and name HB1
  )
       ( resid 69 and name HB1
  ) 3.8 2.0 0.8 volume=0.382 peak=1449 ppm1=1.947 ppm2=3.367

assign ( resid 75 and name HN
  )
       ( resid 75 and name HB2
  ) 2.9 1.1 0.6 volume=1.778 peak=382 ppm1=6.650 ppm2=1.016

assign ( resid 67 and name HN
  )
       ( resid 67 and name HD2
  or resid 67 and name HD1
  ) 2.8 1.0 0.6 volume=2.123 peak=467 ppm1=7.953 ppm2=1.368

assign ( resid 79 and name HA
  )
       ( resid 80 and name HN
  ) 3.7 1.9 0.7 volume=0.440 peak=773 ppm1=3.557 ppm2=7.315

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HA
  ) 3.7 1.9 0.7 volume=0.393 peak=20 ppm1=6.969 ppm2=3.055

assign ( resid 67 and name HB2
  )
       ( resid 67 and name HA
  ) 3.4 1.6 0.7 volume=0.659 peak=1300 ppm1=1.327 ppm2=3.810

assign ( resid 70 and name HA
  )
       ( resid 70 and name HB
  ) 3.4 1.6 0.7 volume=0.742 peak=664 ppm1=4.179 ppm2=2.196

assign ( resid 68 and name HN
  )
       ( resid 68 and name HD1
  ) 3.9 2.1 0.8 volume=0.291 peak=570 ppm1=7.531 ppm2=2.986

assign ( resid 78 and name HD2
  )
       ( resid 78 and name HB1
  ) 3.8 2.0 0.8 volume=0.382 peak=46 ppm1=7.004 ppm2=3.134

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HA
  ) 3.4 1.6 0.7 volume=0.703 peak=1376 ppm1=1.742 ppm2=3.040

assign ( resid 59 and name HD1
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 4.7 2.9 0.9 volume=0.103 peak=718 ppm1=3.459 ppm2=6.891

assign ( resid 82 and name HD2
  )
       ( resid 79 and name HA
  ) 3.2 1.4 0.6 volume=1.057 peak=73 ppm1=6.187 ppm2=3.526

assign ( resid 82 and name HN
  )
       ( resid 82 and name HB2
  ) 3.0 1.2 0.6 volume=1.507 peak=219 ppm1=7.337 ppm2=3.115

assign ( resid 67 and name HN
  )
       ( resid 66 and name HA1
  ) 3.7 1.9 0.7 volume=0.390 peak=425 ppm1=7.952 ppm2=3.583

assign ( resid 78 and name HB2
  )
       ( resid 79 and name HN
  ) 3.4 1.6 0.7 volume=0.659 peak=1081 ppm1=2.741 ppm2=8.251

assign ( resid 67 and name HN
  )
       ( resid 65 and name HN
  ) 2.9 1.1 0.6 volume=1.655 peak=105 ppm1=7.952 ppm2=8.137

assign ( resid 64 and name HA
  )
       ( resid 64 and name HB2
  ) 3.0 1.2 0.6 volume=1.451 peak=1307 ppm1=4.153 ppm2=1.430

assign ( resid 64 and name HN
  )
       ( resid 64 and name HG2
  ) 2.6 0.8 0.5 volume=3.103 peak=338 ppm1=8.732 ppm2=1.385

assign ( resid 82 and name HN
  )
       ( resid 82 and name HB1
  ) 3.2 1.4 0.6 volume=0.923 peak=187 ppm1=7.336 ppm2=2.864

assign ( resid 60 and name HB1
  or resid 60 and name HB2
  )
       ( resid 59 and name HD1
  ) 3.9 2.1 0.8 volume=0.301 peak=674 ppm1=2.788 ppm2=3.445

assign ( resid 66 and name HN
  )
       ( resid 61 and name HG1#
  ) 3.6 1.8 0.7 volume=0.460 peak=566 ppm1=8.256 ppm2=0.648

assign ( resid 78 and name HD2
  )
       ( resid 78 and name HN
  ) 4.4 2.6 0.9 volume=0.153 peak=43 ppm1=7.003 ppm2=7.421

assign ( resid 74 and name HG2
  or resid 74 and name HG1
  )
       ( resid 71 and name HB1
  ) 3.7 1.9 0.7 volume=0.449 peak=732 ppm1=2.413 ppm2=1.586

assign ( resid 76 and name HB#
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 3.8 2.0 0.8 volume=0.380 peak=1144 ppm1=1.256 ppm2=2.629

assign ( resid 65 and name HB2
  )
       ( resid 82 and name HE1
  ) 3.3 1.5 0.7 volume=0.871 peak=886 ppm1=2.827 ppm2=7.907

assign ( resid 62 and name HB1
  )
       ( resid 78 and name HD2
  ) 3.2 1.4 0.6 volume=0.935 peak=1035 ppm1=3.294 ppm2=7.004

assign ( resid 80 and name HG1
  )
       ( resid 80 and name HN
  ) 3.7 1.9 0.7 volume=0.424 peak=1102 ppm1=1.284 ppm2=7.294

assign ( resid 79 and name HG11
  )
       ( resid 79 and name HG12
  ) 2.5 0.7 0.5 volume=4.401 peak=1203 ppm1=1.667 ppm2=1.328

assign ( resid 67 and name HN
  )
       ( resid 61 and name HG1#
  ) 4.5 2.7 0.9 volume=0.126 peak=262 ppm1=7.956 ppm2=0.653

assign ( resid 68 and name HG2
  )
       ( resid 68 and name HA
  ) 4.2 2.4 0.8 volume=0.203 peak=1621 ppm1=1.251 ppm2=5.076

assign ( resid 61 and name HN
  )
       ( resid 61 and name HG1#
  ) 3.1 1.3 0.6 volume=1.240 peak=634 ppm1=8.236 ppm2=0.662

assign ( resid 83 and name HN
  )
       ( resid 82 and name HB2
  ) 3.8 2.0 0.8 volume=0.332 peak=119 ppm1=7.963 ppm2=3.102

assign ( resid 68 and name HN
  )
       ( resid 68 and name HG1
  ) 2.9 1.1 0.6 volume=1.654 peak=518 ppm1=7.530 ppm2=1.600

assign ( resid 71 and name HA
  )
       ( resid 71 and name HB2
  ) 4.5 2.7 0.9 volume=0.125 peak=1505 ppm1=4.771 ppm2=2.165

assign ( resid 82 and name HA
  )
       ( resid 83 and name HN
  ) 2.8 1.0 0.6 volume=2.444 peak=683 ppm1=3.985 ppm2=7.967

assign ( resid 79 and name HA
  )
       ( resid 79 and name HD1#
  ) 3.0 1.2 0.6 volume=1.336 peak=1172 ppm1=3.557 ppm2=0.882

assign ( resid 76 and name HN
  )
       ( resid 75 and name HB2
  ) 3.2 1.4 0.6 volume=1.030 peak=387 ppm1=7.873 ppm2=1.038

assign ( resid 61 and name HN
  )
       ( resid 62 and name HN
  ) 4.0 2.2 0.8 volume=0.271 peak=364 ppm1=8.233 ppm2=8.859

assign ( resid 70 and name HG2#
  )
       ( resid 70 and name HN
  ) 3.0 1.2 0.6 volume=1.336 peak=1527 ppm1=1.088 ppm2=8.594

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HA
  ) 3.5 1.7 0.7 volume=0.545 peak=742 ppm1=3.160 ppm2=4.111

assign ( resid 82 and name HE1
  )
       ( resid 65 and name HB1
  ) 3.4 1.6 0.7 volume=0.726 peak=92 ppm1=7.908 ppm2=3.353

assign ( resid 64 and name HN
  )
       ( resid 64 and name HB2
  ) 2.9 1.1 0.6 volume=1.975 peak=247 ppm1=8.730 ppm2=1.427

assign ( resid 59 and name HB1
  )
       ( resid 59 and name HA
  ) 3.4 1.6 0.7 volume=0.717 peak=1419 ppm1=1.940 ppm2=4.202

assign ( resid 77 and name HN
  )
       ( resid 76 and name HA
  ) 3.1 1.3 0.6 volume=1.251 peak=645 ppm1=7.442 ppm2=3.887

assign ( resid 76 and name HN
  )
       ( resid 75 and name HA
  ) 3.5 1.7 0.7 volume=0.555 peak=138 ppm1=7.871 ppm2=3.047

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 76 and name HN
  ) 4.2 2.4 0.8 volume=0.184 peak=1330 ppm1=2.657 ppm2=7.882

assign ( resid 63 and name HN
  )
       ( resid 63 and name HA
  ) 3.4 1.6 0.7 volume=0.658 peak=539 ppm1=9.397 ppm2=4.079

assign ( resid 70 and name HA
  )
       ( resid 70 and name HN
  ) 3.7 1.9 0.7 volume=0.397 peak=692 ppm1=4.177 ppm2=8.592

assign ( resid 59 and name HB2
  )
       ( resid 59 and name HA
  ) 3.9 2.1 0.8 volume=0.312 peak=911 ppm1=1.332 ppm2=4.204

assign ( resid 82 and name HB2
  )
       ( resid 82 and name HD2
  ) 3.5 1.7 0.7 volume=0.563 peak=1680 ppm1=3.141 ppm2=6.189

assign ( resid 64 and name HN
  )
       ( resid 63 and name HB2
  ) 3.6 1.8 0.7 volume=0.522 peak=379 ppm1=8.729 ppm2=1.972

assign ( resid 64 and name HA
  )
       ( resid 64 and name HN
  ) 3.3 1.5 0.7 volume=0.848 peak=1580 ppm1=4.153 ppm2=8.728

assign ( resid 65 and name HA
  )
       ( resid 65 and name HB2
  ) 2.8 1.0 0.6 volume=2.172 peak=1266 ppm1=5.135 ppm2=2.798

assign ( resid 79 and name HG12
  )
       ( resid 79 and name HD1#
  ) 2.7 0.9 0.5 volume=3.004 peak=1441 ppm1=1.361 ppm2=0.880

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HG2
  ) 2.1 0.3 0.4 volume=13.154 peak=1615 ppm1=1.332 ppm2=1.248

assign ( resid 70 and name HN
  )
       ( resid 69 and name HA
  ) 2.6 0.8 0.5 volume=3.512 peak=152 ppm1=8.586 ppm2=4.654

assign ( resid 82 and name HB2
  )
       ( resid 82 and name HA
  ) 3.5 1.7 0.7 volume=0.545 peak=1357 ppm1=3.143 ppm2=3.972

assign ( resid 75 and name HD2#
  )
       ( resid 69 and name HB2
  ) 4.6 2.8 0.9 volume=0.109 peak=894 ppm1=0.966 ppm2=2.443

assign ( resid 60 and name HN
  )
       ( resid 60 and name HD1 or resid 60 and name HD2
  ) 3.6 1.8 0.7 volume=0.474 peak=261 ppm1=8.106 ppm2=6.900

assign ( resid 70 and name HB
  )
       ( resid 71 and name HN
  ) 3.3 1.5 0.7 volume=0.815 peak=1044 ppm1=2.209 ppm2=7.487

assign ( resid 78 and name HN
  )
       ( resid 79 and name HN
  ) 3.0 1.2 0.6 volume=1.453 peak=461 ppm1=7.418 ppm2=8.243

assign ( resid 74 and name HG2
  or resid 74 and name HG1
  )
       ( resid 74 and name HN
  ) 3.5 1.7 0.7 volume=0.594 peak=784 ppm1=2.418 ppm2=6.643

assign ( resid 71 and name HG1
  )
       ( resid 70 and name HG1#
  ) 3.3 1.5 0.7 volume=0.785 peak=1658 ppm1=2.323 ppm2=1.006

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 69 and name HN
  ) 3.5 1.7 0.7 volume=0.537 peak=12 ppm1=6.963 ppm2=8.829

assign ( resid 74 and name HB2
  )
       ( resid 74 and name HN
  ) 3.3 1.5 0.7 volume=0.815 peak=1624 ppm1=2.348 ppm2=6.644

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HB2
  ) 3.6 1.8 0.7 volume=0.515 peak=18 ppm1=6.966 ppm2=1.031

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HB1
  ) 2.6 0.8 0.5 volume=3.887 peak=849 ppm1=1.316 ppm2=1.658

assign ( resid 79 and name HN
  )
       ( resid 79 and name HA
  ) 3.1 1.3 0.6 volume=1.200 peak=177 ppm1=8.252 ppm2=3.521

assign ( resid 66 and name HA1
  )
       ( resid 61 and name HG1#
  ) 3.3 1.5 0.7 volume=0.904 peak=1039 ppm1=3.620 ppm2=0.651

assign ( resid 74 and name HN
  )
       ( resid 71 and name HB2
  ) 2.8 1.0 0.6 volume=2.242 peak=491 ppm1=6.623 ppm2=2.173

assign ( resid 61 and name HB
  )
       ( resid 61 and name HN
  ) 3.1 1.3 0.6 volume=1.181 peak=1381 ppm1=1.715 ppm2=8.249

assign ( resid 71 and name HA
  )
       ( resid 71 and name HG2
  ) 4.4 2.6 0.9 volume=0.151 peak=1183 ppm1=4.771 ppm2=2.255

assign ( resid 66 and name HN
  )
       ( resid 66 and name HA1
  ) 2.6 0.8 0.5 volume=3.635 peak=426 ppm1=8.256 ppm2=3.579

assign ( resid 67 and name HN
  )
       ( resid 66 and name HA2
  ) 3.6 1.8 0.7 volume=0.474 peak=453 ppm1=7.955 ppm2=4.090

assign ( resid 67 and name HG2
  )
       ( resid 68 and name HN
  ) 4.2 2.4 0.8 volume=0.190 peak=789 ppm1=1.300 ppm2=7.553

assign ( resid 81 and name HN
  )
       ( resid 81 and name HA
  ) 2.9 1.1 0.6 volume=1.760 peak=245 ppm1=7.266 ppm2=4.613

assign ( resid 64 and name HD2
  )
       ( resid 64 and name HB1
  ) 3.1 1.3 0.6 volume=1.162 peak=1423 ppm1=2.433 ppm2=1.306

assign ( resid 61 and name HB
  )
       ( resid 68 and name HA
  ) 4.6 2.8 0.9 volume=0.111 peak=660 ppm1=1.715 ppm2=5.083

assign ( resid 67 and name HG1
  )
       ( resid 67 and name HE1
  ) 3.0 1.2 0.6 volume=1.487 peak=1169 ppm1=0.902 ppm2=2.825

assign ( resid 66 and name HN
  )
       ( resid 65 and name HB2
  ) 3.7 1.9 0.7 volume=0.424 peak=498 ppm1=8.261 ppm2=2.851

assign ( resid 79 and name HG12
  )
       ( resid 79 and name HG2#
  ) 2.7 0.9 0.5 volume=2.620 peak=1109 ppm1=1.358 ppm2=0.909

assign ( resid 59 and name HD1
  )
       ( resid 59 and name HG1
  ) 3.1 1.3 0.6 volume=1.121 peak=877 ppm1=3.461 ppm2=1.622

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HB2
  ) 2.2 0.4 0.4 volume=8.959 peak=1152 ppm1=3.172 ppm2=2.731

assign ( resid 79 and name HG11
  )
       ( resid 82 and name HD2
  ) 4.7 2.9 0.9 volume=0.104 peak=1384 ppm1=1.671 ppm2=6.186

assign ( resid 78 and name HA
  )
       ( resid 78 and name HB1
  ) 3.1 1.3 0.6 volume=1.296 peak=803 ppm1=4.149 ppm2=3.141

assign ( resid 81 and name HN
  )
       ( resid 81 and name HB2
  ) 3.2 1.4 0.6 volume=0.976 peak=431 ppm1=7.262 ppm2=3.125

assign ( resid 79 and name HG2#
  )
       ( resid 79 and name HN
  ) 3.4 1.6 0.7 volume=0.671 peak=1194 ppm1=0.910 ppm2=8.268

assign ( resid 80 and name HN
  )
       ( resid 80 and name HG1
  ) 3.0 1.2 0.6 volume=1.417 peak=291 ppm1=7.290 ppm2=1.269

assign ( resid 68 and name HB1
  )
       ( resid 69 and name HN
  ) 3.9 2.1 0.8 volume=0.293 peak=1644 ppm1=1.677 ppm2=8.838

assign ( resid 69 and name HN
  )
       ( resid 75 and name HB2
  ) 3.7 1.9 0.7 volume=0.415 peak=604 ppm1=8.820 ppm2=1.033

assign ( resid 78 and name HD2
  )
       ( resid 78 and name HB2
  ) 3.1 1.3 0.6 volume=1.141 peak=31 ppm1=7.004 ppm2=2.718

assign ( resid 60 and name HN
  )
       ( resid 60 and name HA
  ) 3.4 1.6 0.7 volume=0.658 peak=438 ppm1=8.101 ppm2=4.407

assign ( resid 65 and name HN
  )
       ( resid 62 and name HB2
  ) 3.2 1.4 0.6 volume=0.925 peak=256 ppm1=8.135 ppm2=2.760

assign ( resid 83 and name HA
  )
       ( resid 83 and name HN
  ) 3.9 2.1 0.8 volume=0.307 peak=831 ppm1=4.335 ppm2=7.978

assign ( resid 82 and name HE1
  )
       ( resid 65 and name HB2
  ) 3.1 1.3 0.6 volume=1.216 peak=63 ppm1=7.908 ppm2=2.808

assign ( resid 79 and name HA
  )
       ( resid 79 and name HG11
  ) 3.4 1.6 0.7 volume=0.649 peak=1249 ppm1=3.557 ppm2=1.629

assign ( resid 77 and name HD22
  )
       ( resid 77 and name HD21
  ) 2.7 0.9 0.5 volume=2.946 peak=228 ppm1=6.869 ppm2=7.547

assign ( resid 63 and name HN
  )
       ( resid 63 and name HB2
  ) 3.2 1.4 0.6 volume=0.933 peak=195 ppm1=9.404 ppm2=1.974

assign ( resid 64 and name HG1
  )
       ( resid 64 and name HD2
  ) 3.8 2.0 0.8 volume=0.368 peak=1235 ppm1=1.259 ppm2=2.432

assign ( resid 61 and name HG2#
  )
       ( resid 62 and name HN
  ) 3.4 1.6 0.7 volume=0.685 peak=1091 ppm1=0.613 ppm2=8.856

assign ( resid 67 and name HN
  )
       ( resid 67 and name HG2
  ) 2.7 0.9 0.5 volume=2.716 peak=278 ppm1=7.954 ppm2=1.297

assign ( resid 70 and name HG1#
  )
       ( resid 70 and name HN
  ) 3.4 1.6 0.7 volume=0.657 peak=845 ppm1=1.020 ppm2=8.595

assign ( resid 78 and name HN
  )
       ( resid 75 and name HA
  ) 2.6 0.8 0.5 volume=3.342 peak=287 ppm1=7.417 ppm2=3.049

assign ( resid 64 and name HD1
  )
       ( resid 64 and name HG2
  ) 3.1 1.3 0.6 volume=1.282 peak=1008 ppm1=2.602 ppm2=1.388

assign ( resid 67 and name HG1
  )
       ( resid 67 and name HN
  ) 3.9 2.1 0.8 volume=0.290 peak=711 ppm1=0.901 ppm2=7.950

assign ( resid 83 and name HB2
  )
       ( resid 83 and name HA
  ) 4.1 2.3 0.8 volume=0.241 peak=1267 ppm1=2.515 ppm2=4.302

assign ( resid 79 and name HB
  )
       ( resid 79 and name HG2#
  ) 2.7 0.9 0.5 volume=2.624 peak=935 ppm1=1.864 ppm2=0.909

assign ( resid 81 and name HN
  )
       ( resid 78 and name HA
  ) 3.8 2.0 0.8 volume=0.344 peak=397 ppm1=7.262 ppm2=4.147

assign ( resid 64 and name HB2
  )
       ( resid 65 and name HN
  ) 3.8 2.0 0.8 volume=0.354 peak=1478 ppm1=1.424 ppm2=8.139

assign ( resid 79 and name HD1#
  )
       ( resid 82 and name HD2
  ) 4.3 2.5 0.9 volume=0.168 peak=839 ppm1=0.896 ppm2=6.193

assign ( resid 75 and name HD1#
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 3.1 1.3 0.6 volume=1.223 peak=1605 ppm1=0.897 ppm2=6.981

assign ( resid 60 and name HD1 or resid 60 and name HD2
  )
       ( resid 75 and name HD1#
  or resid 79 and name HD1#
  ) 3.1 1.3 0.6 volume=1.204 peak=1 ppm1=6.902 ppm2=0.889

assign ( resid 82 and name HD2
  )
       ( resid 79 and name HD1#
  or resid 79 and name HG2#
  ) 3.6 1.8 0.7 volume=0.499 peak=2 ppm1=6.191 ppm2=0.879

assign ( resid 82 and name HB2
  )
       ( resid 79 and name HD1#
  or resid 79 and name HG2#
  ) 3.8 2.0 0.8 volume=0.367 peak=19 ppm1=3.154 ppm2=0.881

 ASSIGN  (segid "   A" and resid 58   and name N   ) (segid "   A" and resid 58   and name CA  )
         (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )  1.00 145.60 45.60 2

 ASSIGN  (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )
         (segid "   A" and resid 59   and name CA  ) (segid "   A" and resid 59   and name C   )  1.00 -68.84 21.16 2

 ASSIGN  (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )
         (segid "   A" and resid 60   and name CA  ) (segid "   A" and resid 60   and name C   )  1.00 -79.52 100.48 2

 ASSIGN  (segid "   A" and resid 60   and name N   ) (segid "   A" and resid 60   and name CA  )
         (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )  1.00 146.21 56.21 2

 ASSIGN  (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )
         (segid "   A" and resid 61   and name CA  ) (segid "   A" and resid 61   and name C   )  1.00 -114.96 35.04 2

 ASSIGN  (segid "   A" and resid 61   and name N   ) (segid "   A" and resid 61   and name CA  )
         (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )  1.00 125.85 25.85 2

 ASSIGN  (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )
         (segid "   A" and resid 62   and name CA  ) (segid "   A" and resid 62   and name C   )  1.00 -74.34 35.66 2

 ASSIGN  (segid "   A" and resid 62   and name N   ) (segid "   A" and resid 62   and name CA  )
         (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )  1.00 120.50 40.50 2

 ASSIGN  (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )
         (segid "   A" and resid 63   and name CA  ) (segid "   A" and resid 63   and name C   )  1.00 -55.64 34.36 2

 ASSIGN  (segid "   A" and resid 63   and name N   ) (segid "   A" and resid 63   and name CA  )
         (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )  1.00 -24.52 35.48 2

 ASSIGN  (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )
         (segid "   A" and resid 64   and name CA  ) (segid "   A" and resid 64   and name C   )  1.00 -76.21 43.79 2

 ASSIGN  (segid "   A" and resid 64   and name N   ) (segid "   A" and resid 64   and name CA  )
         (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )  1.00 -17.58 52.42 2

 ASSIGN  (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )
         (segid "   A" and resid 65   and name CA  ) (segid "   A" and resid 65   and name C   )  1.00 -100.52 39.48 2

 ASSIGN  (segid "   A" and resid 65   and name N   ) (segid "   A" and resid 65   and name CA  )
         (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )  1.00  -0.41 39.59 2

 ASSIGN  (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )
         (segid "   A" and resid 66   and name CA  ) (segid "   A" and resid 66   and name C   )  1.00  84.51 24.51 2

 ASSIGN  (segid "   A" and resid 66   and name N   ) (segid "   A" and resid 66   and name CA  )
         (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )  1.00  -0.88 29.12 2

 ASSIGN  (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )
         (segid "   A" and resid 67   and name CA  ) (segid "   A" and resid 67   and name C   )  1.00 -67.16 32.84 2

 ASSIGN  (segid "   A" and resid 67   and name N   ) (segid "   A" and resid 67   and name CA  )
         (segid "   A" and resid 67   and name C   ) (segid "   A" and resid 68   and name N   )  1.00 147.00 27.00 2

 ASSIGN  (segid "   A" and resid 67   and name C   ) (segid "   A" and resid 68   and name N   )
         (segid "   A" and resid 68   and name CA  ) (segid "   A" and resid 68   and name C   )  1.00 -112.74 47.26 2

 ASSIGN  (segid "   A" and resid 68   and name N   ) (segid "   A" and resid 68   and name CA  )
         (segid "   A" and resid 68   and name C   ) (segid "   A" and resid 69   and name N   )  1.00 136.45 36.45 2

 ASSIGN  (segid "   A" and resid 68   and name C   ) (segid "   A" and resid 69   and name N   )
         (segid "   A" and resid 69   and name CA  ) (segid "   A" and resid 69   and name C   )  1.00 -135.68 34.32 2

 ASSIGN  (segid "   A" and resid 69   and name N   ) (segid "   A" and resid 69   and name CA  )
         (segid "   A" and resid 69   and name C   ) (segid "   A" and resid 70   and name N   )  1.00 152.43 32.43 2

 ASSIGN  (segid "   A" and resid 69   and name C   ) (segid "   A" and resid 70   and name N   )
         (segid "   A" and resid 70   and name CA  ) (segid "   A" and resid 70   and name C   )  1.00 -80.88 49.12 2

 ASSIGN  (segid "   A" and resid 70   and name N   ) (segid "   A" and resid 70   and name CA  )
         (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )  1.00 -18.58 41.42 2

 ASSIGN  (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )
         (segid "   A" and resid 71   and name CA  ) (segid "   A" and resid 71   and name C   )  1.00 -135.07 44.93 2

 ASSIGN  (segid "   A" and resid 71   and name N   ) (segid "   A" and resid 71   and name CA  )
         (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )  1.00 163.09 33.09 2

 ASSIGN  (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )
         (segid "   A" and resid 72   and name CA  ) (segid "   A" and resid 72   and name C   )  1.00 -56.77 33.23 2

 ASSIGN  (segid "   A" and resid 72   and name N   ) (segid "   A" and resid 72   and name CA  )
         (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )  1.00 -33.87 36.13 2

 ASSIGN  (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )
         (segid "   A" and resid 73   and name CA  ) (segid "   A" and resid 73   and name C   )  1.00 -64.40 25.60 2

 ASSIGN  (segid "   A" and resid 73   and name N   ) (segid "   A" and resid 73   and name CA  )
         (segid "   A" and resid 73   and name C   ) (segid "   A" and resid 74   and name N   )  1.00 -42.22 27.78 2

 ASSIGN  (segid "   A" and resid 73   and name C   ) (segid "   A" and resid 74   and name N   )
         (segid "   A" and resid 74   and name CA  ) (segid "   A" and resid 74   and name C   )  1.00 -63.85 26.15 2

 ASSIGN  (segid "   A" and resid 74   and name N   ) (segid "   A" and resid 74   and name CA  )
         (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )  1.00 -40.88 29.12 2

 ASSIGN  (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )
         (segid "   A" and resid 75   and name CA  ) (segid "   A" and resid 75   and name C   )  1.00 -64.51 25.49 2

 ASSIGN  (segid "   A" and resid 75   and name N   ) (segid "   A" and resid 75   and name CA  )
         (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )  1.00 -44.85 25.15 2

 ASSIGN  (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )
         (segid "   A" and resid 76   and name CA  ) (segid "   A" and resid 76   and name C   )  1.00 -63.78 26.22 2

 ASSIGN  (segid "   A" and resid 76   and name N   ) (segid "   A" and resid 76   and name CA  )
         (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )  1.00 -41.47 28.53 2

 ASSIGN  (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )
         (segid "   A" and resid 77   and name CA  ) (segid "   A" and resid 77   and name C   )  1.00 -64.82 25.18 2

 ASSIGN  (segid "   A" and resid 77   and name N   ) (segid "   A" and resid 77   and name CA  )
         (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )  1.00 -43.76 26.24 2

 ASSIGN  (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )
         (segid "   A" and resid 78   and name CA  ) (segid "   A" and resid 78   and name C   )  1.00 -61.95 28.05 2

 ASSIGN  (segid "   A" and resid 78   and name N   ) (segid "   A" and resid 78   and name CA  )
         (segid "   A" and resid 78   and name C   ) (segid "   A" and resid 79   and name N   )  1.00 -44.58 25.42 2

 ASSIGN  (segid "   A" and resid 78   and name C   ) (segid "   A" and resid 79   and name N   )
         (segid "   A" and resid 79   and name CA  ) (segid "   A" and resid 79   and name C   )  1.00 -58.91 21.09 2

 ASSIGN  (segid "   A" and resid 79   and name N   ) (segid "   A" and resid 79   and name CA  )
         (segid "   A" and resid 79   and name C   ) (segid "   A" and resid 80   and name N   )  1.00 -42.76 27.24 2

 ASSIGN  (segid "   A" and resid 79   and name C   ) (segid "   A" and resid 80   and name N   )
         (segid "   A" and resid 80   and name CA  ) (segid "   A" and resid 80   and name C   )  1.00 -63.07 26.93 2

 ASSIGN  (segid "   A" and resid 80   and name N   ) (segid "   A" and resid 80   and name CA  )
         (segid "   A" and resid 80   and name C   ) (segid "   A" and resid 81   and name N   )  1.00 -27.89 32.11 2

 ASSIGN  (segid "   A" and resid 80   and name C   ) (segid "   A" and resid 81   and name N   )
         (segid "   A" and resid 81   and name CA  ) (segid "   A" and resid 81   and name C   )  1.00 -87.25 32.75 2

 ASSIGN  (segid "   A" and resid 81   and name N   ) (segid "   A" and resid 81   and name CA  )
         (segid "   A" and resid 81   and name C   ) (segid "   A" and resid 82   and name N   )  1.00  -5.38 34.62 2

ASSIGN  (segid "   A" and resid 62    and name N   ) (segid "   A" and resid 62    and name CA   )
         (segid "   A" and resid 62    and name CB  ) (segid "   A" and resid 62   and name SG   )  1.00 180.00 40.00 2

ASSIGN  (segid "   A" and resid 65    and name N   ) (segid "   A" and resid 65    and name CA   )
         (segid "   A" and resid 65    and name CB  ) (segid "   A" and resid 65    and name SG   )  1.00  60.00 40.00 2

ASSIGN  (segid "   A" and resid 69    and name N   ) (segid "   A" and resid 69    and name CA   )
         (segid "   A" and resid 69    and name CB  ) (segid "   A" and resid 69    and name CG   )  1.00 -60.00 40.00 2

ASSIGN  (segid "   A" and resid 71    and name N   ) (segid "   A" and resid 71    and name CA   )
         (segid "   A" and resid 71    and name CB  ) (segid "   A" and resid 71    and name CG   )  1.00 -60.00 40.00 2

ASSIGN  (segid "   A" and resid 74    and name N   ) (segid "   A" and resid 74    and name CA   )
         (segid "   A" and resid 74    and name CB  ) (segid "   A" and resid 74    and name CG1   )  1.00  -60.00 40.00 2

ASSIGN  (segid "   A" and resid 54    and name N   ) (segid "   A" and resid 54    and name CA   )
         (segid "   A" and resid 54    and name CB  ) (segid "   A" and resid 54    and name CG   )  1.00 -60.00 40.00 2

ASSIGN  (segid "   A" and resid 75    and name N   ) (segid "   A" and resid 75    and name CA   )
         (segid "   A" and resid 75    and name CB  ) (segid "   A" and resid 75    and name CG   )  1.00 180.00 40.00 2

ASSIGN  (segid "   A" and resid 78    and name N   ) (segid "   A" and resid 78    and name CA   )
         (segid "   A" and resid 78    and name CB  ) (segid "   A" and resid 78    and name CG   )  1.00 180.00 40.00 2

ASSIGN  (segid "   A" and resid 82    and name N   ) (segid "   A" and resid 82    and name CA   )
         (segid "   A" and resid 82    and name CB  ) (segid "   A" and resid 82    and name CG   )  1.00 -60.00 40.00 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS  58           HT1      LYS  58  12.635  -1.802   0.463
    2    H2   LYS  58           HT2      LYS  58  11.327  -2.626  -0.237
    3    H3   LYS  58           HT3      LYS  58  12.284  -3.395   0.933
    4    HA   LYS  58           HA       LYS  58  11.560  -1.832   2.606
    5    HB2  LYS  58           HB2      LYS  58   9.889  -0.763   0.330
    6    HB3  LYS  58           HB1      LYS  58   9.565  -0.400   2.019
    7    HG2  LYS  58           HG2      LYS  58  12.090   0.282   0.524
    8    HG3  LYS  58           HG1      LYS  58  10.788   1.402   0.928
    9    HD2  LYS  58           HD2      LYS  58  11.196   0.831   3.347
   10    HD3  LYS  58           HD1      LYS  58  12.641  -0.032   2.824
   11    HE2  LYS  58           HE2      LYS  58  12.069   2.896   2.382
   12    HE3  LYS  58           HE1      LYS  58  13.173   2.233   3.584
   13    HZ1  LYS  58           HZ1      LYS  58  14.352   3.015   1.631
   14    HZ2  LYS  58           HZ2      LYS  58  13.463   1.971   0.634
   15    HZ3  LYS  58           HZ3      LYS  58  14.531   1.334   1.790
   16    HA   PRO  59           HA       PRO  59   8.724  -5.264   3.054
   17    HB2  PRO  59           HB2      PRO  59   8.654  -4.559   5.874
   18    HB3  PRO  59           HB1      PRO  59   9.385  -5.973   5.101
   19    HG2  PRO  59           HG2      PRO  59  10.851  -4.007   6.265
   20    HG3  PRO  59           HG1      PRO  59  11.435  -4.967   4.895
   21    HD2  PRO  59           HD2      PRO  59  10.257  -2.206   4.910
   22    HD3  PRO  59           HD1      PRO  59  11.662  -2.828   4.013
   23    H    TYR  60           HN       TYR  60   7.472  -3.187   1.995
   24    HA   TYR  60           HA       TYR  60   5.153  -2.764   3.749
   25    HB2  TYR  60           HB2      TYR  60   6.569  -0.797   1.962
   26    HB3  TYR  60           HB1      TYR  60   4.875  -0.574   2.392
   27    HD1  TYR  60           HD1      TYR  60   8.300  -0.849   3.783
   28    HD2  TYR  60           HD2      TYR  60   4.258   0.268   4.511
   29    HE1  TYR  60           HE1      TYR  60   8.978   0.200   5.902
   30    HE2  TYR  60           HE2      TYR  60   4.927   1.321   6.630
   31    HH   TYR  60           HH       TYR  60   6.664   1.298   8.239
   32    H    VAL  61           HN       VAL  61   3.887  -4.333   2.924
   33    HA   VAL  61           HA       VAL  61   3.163  -4.088   0.094
   34    HB   VAL  61           HB       VAL  61   3.174  -6.674   1.661
   35   HG11  VAL  61          HG11      VAL  61   1.581  -6.581  -0.181
   36   HG12  VAL  61          HG12      VAL  61   2.893  -7.709  -0.524
   37   HG13  VAL  61          HG13      VAL  61   2.878  -6.115  -1.282
   38   HG21  VAL  61          HG21      VAL  61   5.463  -5.884   1.368
   39   HG22  VAL  61          HG22      VAL  61   5.173  -5.693  -0.362
   40   HG23  VAL  61          HG23      VAL  61   5.142  -7.300   0.365
   41    H    CYS  62           HN       CYS  62   1.034  -4.236  -0.381
   42    HA   CYS  62           HA       CYS  62  -0.874  -3.600   1.628
   43    HB2  CYS  62           HB2      CYS  62  -1.102  -2.863  -0.703
   44    HB3  CYS  62           HB1      CYS  62  -1.263  -4.528  -1.219
   45    H    GLU  63           HN       GLU  63  -1.136  -5.152   3.159
   46    HA   GLU  63           HA       GLU  63  -1.238  -7.906   2.809
   47    HB2  GLU  63           HB2      GLU  63  -1.127  -6.683   4.993
   48    HB3  GLU  63           HB1      GLU  63  -2.824  -6.273   4.808
   49    HG2  GLU  63           HG2      GLU  63  -2.717  -8.106   6.286
   50    HG3  GLU  63           HG1      GLU  63  -3.318  -8.728   4.749
   51    H    ARG  64           HN       ARG  64  -3.526  -5.486   1.952
   52    HA   ARG  64           HA       ARG  64  -5.800  -7.226   2.082
   53    HB2  ARG  64           HB2      ARG  64  -5.609  -4.399   1.052
   54    HB3  ARG  64           HB1      ARG  64  -7.078  -5.278   1.449
   55    HG2  ARG  64           HG2      ARG  64  -6.106  -5.513   3.792
   56    HG3  ARG  64           HG1      ARG  64  -4.946  -4.286   3.303
   57    HD2  ARG  64           HD2      ARG  64  -6.794  -2.753   2.797
   58    HD3  ARG  64           HD1      ARG  64  -7.946  -3.989   3.328
   59    HE   ARG  64           HE       ARG  64  -6.051  -3.529   5.366
   60   HH11  ARG  64          HH11      ARG  64  -8.845  -2.006   3.872
   61   HH12  ARG  64          HH12      ARG  64  -9.218  -1.053   5.267
   62   HH21  ARG  64          HH21      ARG  64  -6.553  -2.278   7.183
   63   HH22  ARG  64          HH22      ARG  64  -7.898  -1.180   7.143
   64    H    CYS  65           HN       CYS  65  -3.635  -6.089  -0.550
   65    HA   CYS  65           HA       CYS  65  -5.169  -8.017  -2.160
   66    HB2  CYS  65           HB2      CYS  65  -5.424  -6.656  -4.059
   67    HB3  CYS  65           HB1      CYS  65  -5.936  -5.673  -2.686
   68    H    GLY  66           HN       GLY  66  -2.137  -7.063  -1.136
   69    HA2  GLY  66           HA2      GLY  66  -0.262  -8.430  -1.474
   70    HA3  GLY  66           HA1      GLY  66  -1.018  -9.072  -2.929
   71    H    LYS  67           HN       LYS  67  -1.072  -5.671  -2.901
   72    HA   LYS  67           HA       LYS  67   1.247  -5.620  -4.680
   73    HB2  LYS  67           HB2      LYS  67  -0.930  -3.578  -4.250
   74    HB3  LYS  67           HB1      LYS  67   0.439  -3.361  -5.334
   75    HG2  LYS  67           HG2      LYS  67  -1.799  -5.342  -5.556
   76    HG3  LYS  67           HG1      LYS  67  -1.372  -4.035  -6.665
   77    HD2  LYS  67           HD2      LYS  67   0.723  -5.181  -7.198
   78    HD3  LYS  67           HD1      LYS  67   0.288  -6.485  -6.088
   79    HE2  LYS  67           HE2      LYS  67  -1.730  -6.911  -7.462
   80    HE3  LYS  67           HE1      LYS  67  -1.177  -5.684  -8.603
   81    HZ1  LYS  67           HZ1      LYS  67  -0.565  -7.883  -9.350
   82    HZ2  LYS  67           HZ2      LYS  67   0.256  -8.191  -7.902
   83    HZ3  LYS  67           HZ3      LYS  67   0.832  -7.005  -8.965
   84    H    ARG  68           HN       ARG  68   3.024  -4.417  -4.317
   85    HA   ARG  68           HA       ARG  68   3.217  -3.195  -1.658
   86    HB2  ARG  68           HB2      ARG  68   5.635  -3.756  -1.806
   87    HB3  ARG  68           HB1      ARG  68   4.562  -5.146  -1.720
   88    HG2  ARG  68           HG2      ARG  68   4.809  -5.504  -4.082
   89    HG3  ARG  68           HG1      ARG  68   5.784  -4.039  -4.222
   90    HD2  ARG  68           HD2      ARG  68   7.519  -5.013  -2.861
   91    HD3  ARG  68           HD1      ARG  68   6.520  -6.427  -2.532
   92    HE   ARG  68           HE       ARG  68   6.907  -6.098  -5.322
   93   HH11  ARG  68          HH11      ARG  68   8.562  -7.151  -2.428
   94   HH12  ARG  68          HH12      ARG  68   9.603  -8.257  -3.271
   95   HH21  ARG  68          HH21      ARG  68   8.261  -7.548  -6.440
   96   HH22  ARG  68          HH22      ARG  68   9.438  -8.482  -5.559
   97    H    PHE  69           HN       PHE  69   5.062  -1.597  -1.485
   98    HA   PHE  69           HA       PHE  69   5.381   0.068  -3.849
   99    HB2  PHE  69           HB2      PHE  69   3.853   0.789  -1.407
  100    HB3  PHE  69           HB1      PHE  69   4.872   2.031  -2.134
  101    HD1  PHE  69           HD1      PHE  69   4.481   2.691  -4.508
  102    HD2  PHE  69           HD2      PHE  69   1.793   0.179  -2.367
  103    HE1  PHE  69           HE1      PHE  69   2.728   3.164  -6.166
  104    HE2  PHE  69           HE2      PHE  69   0.038   0.652  -4.026
  105    HZ   PHE  69           HZ       PHE  69   0.502   2.144  -5.926
  106    H    VAL  70           HN       VAL  70   7.074   1.353  -3.833
  107    HA   VAL  70           HA       VAL  70   9.310   0.734  -2.260
  108    HB   VAL  70           HB       VAL  70   8.709   2.934  -4.239
  109   HG11  VAL  70          HG11      VAL  70  11.134   3.281  -4.341
  110   HG12  VAL  70          HG12      VAL  70  11.319   2.196  -2.963
  111   HG13  VAL  70          HG13      VAL  70  10.434   3.710  -2.782
  112   HG21  VAL  70          HG21      VAL  70   8.701   0.701  -5.196
  113   HG22  VAL  70          HG22      VAL  70  10.290   0.380  -4.500
  114   HG23  VAL  70          HG23      VAL  70  10.108   1.608  -5.752
  115    H    GLN  71           HN       GLN  71   6.834   3.244  -2.176
  116    HA   GLN  71           HA       GLN  71   8.219   4.596  -0.009
  117    HB2  GLN  71           HB2      GLN  71   5.837   5.378  -1.688
  118    HB3  GLN  71           HB1      GLN  71   6.700   6.396  -0.558
  119    HG2  GLN  71           HG2      GLN  71   8.295   5.174  -2.698
  120    HG3  GLN  71           HG1      GLN  71   7.144   6.410  -3.182
  121   HE21  GLN  71          HE21      GLN  71   8.722   6.440  -0.062
  122   HE22  GLN  71          HE22      GLN  71   9.739   7.808  -0.376
  123    H    SER  72           HN       SER  72   7.484   4.371   1.998
  124    HA   SER  72           HA       SER  72   5.411   2.632   2.738
  125    HB2  SER  72           HB2      SER  72   6.513   4.918   4.389
  126    HB3  SER  72           HB1      SER  72   5.803   3.415   4.981
  127    HG   SER  72           HG       SER  72   8.124   3.428   5.016
  128    H    SER  73           HN       SER  73   5.549   6.101   2.276
  129    HA   SER  73           HA       SER  73   3.000   6.793   3.178
  130    HB2  SER  73           HB2      SER  73   4.701   8.468   2.713
  131    HB3  SER  73           HB1      SER  73   4.714   8.026   1.009
  132    HG   SER  73           HG       SER  73   2.664   8.854   0.790
  133    H    GLN  74           HN       GLN  74   4.098   5.575   0.041
  134    HA   GLN  74           HA       GLN  74   1.610   6.124  -1.269
  135    HB2  GLN  74           HB2      GLN  74   4.212   4.902  -2.028
  136    HB3  GLN  74           HB1      GLN  74   2.804   4.427  -2.968
  137    HG2  GLN  74           HG2      GLN  74   3.899   6.209  -4.097
  138    HG3  GLN  74           HG1      GLN  74   2.380   6.817  -3.455
  139   HE21  GLN  74          HE21      GLN  74   4.828   8.200  -4.291
  140   HE22  GLN  74          HE22      GLN  74   5.325   9.139  -2.923
  141    H    LEU  75           HN       LEU  75   3.138   3.446   0.347
  142    HA   LEU  75           HA       LEU  75   1.298   1.461  -0.497
  143    HB2  LEU  75           HB2      LEU  75   3.661   1.225   0.575
  144    HB3  LEU  75           HB1      LEU  75   2.818   1.411   2.107
  145    HG   LEU  75           HG       LEU  75   3.271  -0.945   1.565
  146   HD11  LEU  75          HD11      LEU  75   0.356  -0.240   1.474
  147   HD12  LEU  75          HD12      LEU  75   1.345  -0.377   2.931
  148   HD13  LEU  75          HD13      LEU  75   1.031  -1.804   1.939
  149   HD21  LEU  75          HD21      LEU  75   3.184  -0.818  -0.850
  150   HD22  LEU  75          HD22      LEU  75   1.458  -0.456  -0.788
  151   HD23  LEU  75          HD23      LEU  75   2.050  -2.030  -0.254
  152    H    ALA  76           HN       ALA  76   1.531   3.595   2.326
  153    HA   ALA  76           HA       ALA  76  -0.885   2.686   3.523
  154    HB1  ALA  76           HB1      ALA  76  -0.760   4.691   4.894
  155    HB2  ALA  76           HB2      ALA  76   0.454   5.384   3.817
  156    HB3  ALA  76           HB3      ALA  76   0.836   3.948   4.770
  157    H    ASN  77           HN       ASN  77  -0.094   5.229   1.185
  158    HA   ASN  77           HA       ASN  77  -2.699   6.306   0.968
  159    HB2  ASN  77           HB2      ASN  77  -0.721   7.367  -0.047
  160    HB3  ASN  77           HB1      ASN  77  -0.563   6.019  -1.166
  161   HD21  ASN  77          HD21      ASN  77  -0.723   7.397  -2.927
  162   HD22  ASN  77          HD22      ASN  77  -2.242   8.101  -3.407
  163    H    HIS  78           HN       HIS  78  -1.097   3.611  -0.603
  164    HA   HIS  78           HA       HIS  78  -3.054   2.765  -2.380
  165    HB2  HIS  78           HB2      HIS  78  -0.748   1.933  -2.320
  166    HB3  HIS  78           HB1      HIS  78  -1.052   1.167  -0.765
  167    HD1  HIS  78           HD1      HIS  78  -1.679   0.750  -4.435
  168    HD2  HIS  78           HD2      HIS  78  -2.417  -1.222  -0.854
  169    HE1  HIS  78           HE1      HIS  78  -2.346  -1.603  -5.052
  170    H    ILE  79           HN       ILE  79  -2.482   1.703   0.975
  171    HA   ILE  79           HA       ILE  79  -4.776  -0.005   0.955
  172    HB   ILE  79           HB       ILE  79  -2.867   0.804   3.134
  173   HG12  ILE  79          HG12      ILE  79  -3.268  -1.718   1.513
  174   HG13  ILE  79          HG11      ILE  79  -1.972  -0.539   1.292
  175   HG21  ILE  79          HG21      ILE  79  -5.031   0.252   4.128
  176   HG22  ILE  79          HG22      ILE  79  -3.834  -0.994   4.470
  177   HG23  ILE  79          HG23      ILE  79  -5.060  -1.265   3.232
  178   HD11  ILE  79          HD11      ILE  79  -1.083  -1.084   3.463
  179   HD12  ILE  79          HD12      ILE  79  -1.232  -2.536   2.460
  180   HD13  ILE  79          HD13      ILE  79  -2.408  -2.217   3.742
  181    H    ARG  80           HN       ARG  80  -4.193   3.330   1.974
  182    HA   ARG  80           HA       ARG  80  -6.502   3.812   3.399
  183    HB2  ARG  80           HB2      ARG  80  -4.782   5.366   1.539
  184    HB3  ARG  80           HB1      ARG  80  -6.314   6.050   2.013
  185    HG2  ARG  80           HG2      ARG  80  -4.768   5.013   4.247
  186    HG3  ARG  80           HG1      ARG  80  -3.974   6.323   3.373
  187    HD2  ARG  80           HD2      ARG  80  -5.283   7.244   5.161
  188    HD3  ARG  80           HD1      ARG  80  -6.006   7.678   3.617
  189    HE   ARG  80           HE       ARG  80  -7.230   5.340   4.605
  190   HH11  ARG  80          HH11      ARG  80  -7.047   8.780   5.221
  191   HH12  ARG  80          HH12      ARG  80  -8.623   8.869   5.951
  192   HH21  ARG  80          HH21      ARG  80  -9.347   5.464   5.552
  193   HH22  ARG  80          HH22      ARG  80  -9.930   6.998   6.112
  194    H    HIS  81           HN       HIS  81  -6.088   3.148  -0.002
  195    HA   HIS  81           HA       HIS  81  -8.786   3.908  -0.702
  196    HB2  HIS  81           HB2      HIS  81  -6.531   2.610  -2.223
  197    HB3  HIS  81           HB1      HIS  81  -8.147   2.757  -2.908
  198    HD1  HIS  81           HD1      HIS  81  -5.237   4.880  -1.762
  199    HD2  HIS  81           HD2      HIS  81  -8.798   5.244  -3.873
  200    HE1  HIS  81           HE1      HIS  81  -5.171   7.157  -2.814
  201    HE2  HIS  81           HE2      HIS  81  -7.211   7.239  -4.289
  202    H    HIS  82           HN       HIS  82  -7.519   1.357   0.934
  203    HA   HIS  82           HA       HIS  82  -9.587  -0.519   0.005
  204    HB2  HIS  82           HB2      HIS  82  -7.062  -0.877   1.598
  205    HB3  HIS  82           HB1      HIS  82  -8.329  -2.087   1.644
  206    HD1  HIS  82           HD1      HIS  82  -8.514  -3.671  -0.385
  207    HD2  HIS  82           HD2      HIS  82  -5.699  -0.639  -0.823
  208    HE1  HIS  82           HE1      HIS  82  -7.056  -4.317  -2.355
  209    H    ASP  83           HN       ASP  83  -9.236   1.906   2.116
  210    HA   ASP  83           HA       ASP  83 -10.276   0.617   4.490
  211    HB2  ASP  83           HB2      ASP  83  -8.629   2.429   4.712
  212    HB3  ASP  83           HB1      ASP  83  -9.746   3.545   3.919
  Start of MODEL    2
    1    H1   LYS  58           HT1      LYS  58  11.548  -1.119   0.787
    2    H2   LYS  58           HT2      LYS  58  12.453  -1.892   1.994
    3    H3   LYS  58           HT3      LYS  58  12.458  -0.205   1.886
    4    HA   LYS  58           HA       LYS  58  11.078  -0.971   3.706
    5    HB2  LYS  58           HB2      LYS  58   9.644   0.319   1.378
    6    HB3  LYS  58           HB1      LYS  58   8.896   0.120   2.954
    7    HG2  LYS  58           HG2      LYS  58   9.688   2.292   3.006
    8    HG3  LYS  58           HG1      LYS  58  10.937   1.386   3.861
    9    HD2  LYS  58           HD2      LYS  58  12.275   1.316   1.808
   10    HD3  LYS  58           HD1      LYS  58  11.029   2.244   0.969
   11    HE2  LYS  58           HE2      LYS  58  11.367   4.094   2.557
   12    HE3  LYS  58           HE1      LYS  58  12.641   3.167   3.348
   13    HZ1  LYS  58           HZ1      LYS  58  12.646   4.189   0.562
   14    HZ2  LYS  58           HZ2      LYS  58  13.826   3.147   1.192
   15    HZ3  LYS  58           HZ3      LYS  58  13.639   4.702   1.840
   16    HA   PRO  59           HA       PRO  59   8.865  -4.743   2.815
   17    HB2  PRO  59           HB2      PRO  59   8.204  -5.382   5.299
   18    HB3  PRO  59           HB1      PRO  59   9.911  -5.336   4.815
   19    HG2  PRO  59           HG2      PRO  59   8.311  -3.280   6.283
   20    HG3  PRO  59           HG1      PRO  59   9.935  -3.889   6.648
   21    HD2  PRO  59           HD2      PRO  59   9.423  -1.552   5.281
   22    HD3  PRO  59           HD1      PRO  59  10.923  -2.489   5.130
   23    H    TYR  60           HN       TYR  60   7.492  -2.202   2.418
   24    HA   TYR  60           HA       TYR  60   4.974  -2.426   3.815
   25    HB2  TYR  60           HB2      TYR  60   6.165  -0.419   1.936
   26    HB3  TYR  60           HB1      TYR  60   4.432  -0.406   2.262
   27    HD1  TYR  60           HD1      TYR  60   7.695  -0.488   4.102
   28    HD2  TYR  60           HD2      TYR  60   3.653   0.845   4.035
   29    HE1  TYR  60           HE1      TYR  60   8.082   0.786   6.167
   30    HE2  TYR  60           HE2      TYR  60   4.033   2.121   6.102
   31    HH   TYR  60           HH       TYR  60   5.505   2.228   7.957
   32    H    VAL  61           HN       VAL  61   3.832  -4.104   3.160
   33    HA   VAL  61           HA       VAL  61   3.162  -4.290   0.305
   34    HB   VAL  61           HB       VAL  61   3.122  -6.551   2.316
   35   HG11  VAL  61          HG11      VAL  61   2.885  -7.969   0.326
   36   HG12  VAL  61          HG12      VAL  61   2.837  -6.526  -0.688
   37   HG13  VAL  61          HG13      VAL  61   1.552  -6.826   0.482
   38   HG21  VAL  61          HG21      VAL  61   5.110  -7.399   1.179
   39   HG22  VAL  61          HG22      VAL  61   5.408  -5.833   1.933
   40   HG23  VAL  61          HG23      VAL  61   5.161  -5.939   0.190
   41    H    CYS  62           HN       CYS  62   1.041  -4.441  -0.211
   42    HA   CYS  62           HA       CYS  62  -0.943  -3.848   1.812
   43    HB2  CYS  62           HB2      CYS  62  -1.120  -2.874  -0.446
   44    HB3  CYS  62           HB1      CYS  62  -1.214  -4.477  -1.133
   45    H    GLU  63           HN       GLU  63  -1.371  -5.571   3.146
   46    HA   GLU  63           HA       GLU  63  -1.319  -8.269   2.299
   47    HB2  GLU  63           HB2      GLU  63  -1.160  -7.510   4.668
   48    HB3  GLU  63           HB1      GLU  63  -2.865  -7.090   4.612
   49    HG2  GLU  63           HG2      GLU  63  -3.396  -9.457   4.138
   50    HG3  GLU  63           HG1      GLU  63  -1.684  -9.841   4.304
   51    H    ARG  64           HN       ARG  64  -3.581  -5.761   1.915
   52    HA   ARG  64           HA       ARG  64  -5.908  -7.385   1.767
   53    HB2  ARG  64           HB2      ARG  64  -5.539  -4.542   0.826
   54    HB3  ARG  64           HB1      ARG  64  -7.058  -5.360   1.164
   55    HG2  ARG  64           HG2      ARG  64  -6.273  -5.654   3.519
   56    HG3  ARG  64           HG1      ARG  64  -4.926  -4.594   3.126
   57    HD2  ARG  64           HD2      ARG  64  -6.628  -2.877   2.423
   58    HD3  ARG  64           HD1      ARG  64  -7.860  -3.934   3.131
   59    HE   ARG  64           HE       ARG  64  -5.715  -3.397   4.949
   60   HH11  ARG  64          HH11      ARG  64  -8.737  -2.130   3.696
   61   HH12  ARG  64          HH12      ARG  64  -8.983  -1.039   5.028
   62   HH21  ARG  64          HH21      ARG  64  -6.052  -1.994   6.715
   63   HH22  ARG  64          HH22      ARG  64  -7.468  -0.982   6.755
   64    H    CYS  65           HN       CYS  65  -3.624  -6.102  -0.712
   65    HA   CYS  65           HA       CYS  65  -5.018  -7.987  -2.483
   66    HB2  CYS  65           HB2      CYS  65  -5.199  -6.517  -4.316
   67    HB3  CYS  65           HB1      CYS  65  -5.858  -5.656  -2.928
   68    H    GLY  66           HN       GLY  66  -2.221  -7.364  -1.088
   69    HA2  GLY  66           HA2      GLY  66  -0.309  -8.643  -1.379
   70    HA3  GLY  66           HA1      GLY  66  -0.893  -9.103  -2.976
   71    H    LYS  67           HN       LYS  67  -1.193  -5.976  -3.323
   72    HA   LYS  67           HA       LYS  67   1.287  -5.851  -4.780
   73    HB2  LYS  67           HB2      LYS  67  -1.082  -4.002  -4.604
   74    HB3  LYS  67           HB1      LYS  67   0.319  -3.694  -5.628
   75    HG2  LYS  67           HG2      LYS  67  -0.115  -5.545  -6.986
   76    HG3  LYS  67           HG1      LYS  67  -1.193  -6.272  -5.796
   77    HD2  LYS  67           HD2      LYS  67  -2.844  -4.565  -6.192
   78    HD3  LYS  67           HD1      LYS  67  -1.760  -3.726  -7.306
   79    HE2  LYS  67           HE2      LYS  67  -1.783  -5.678  -8.789
   80    HE3  LYS  67           HE1      LYS  67  -2.857  -6.512  -7.669
   81    HZ1  LYS  67           HZ1      LYS  67  -4.578  -4.979  -8.106
   82    HZ2  LYS  67           HZ2      LYS  67  -3.962  -5.452  -9.618
   83    HZ3  LYS  67           HZ3      LYS  67  -3.550  -3.944  -8.969
   84    H    ARG  68           HN       ARG  68   3.000  -4.534  -4.480
   85    HA   ARG  68           HA       ARG  68   3.244  -3.391  -1.810
   86    HB2  ARG  68           HB2      ARG  68   5.323  -4.192  -3.838
   87    HB3  ARG  68           HB1      ARG  68   5.651  -3.595  -2.216
   88    HG2  ARG  68           HG2      ARG  68   4.437  -5.492  -1.299
   89    HG3  ARG  68           HG1      ARG  68   4.216  -6.114  -2.932
   90    HD2  ARG  68           HD2      ARG  68   6.101  -7.208  -1.861
   91    HD3  ARG  68           HD1      ARG  68   6.644  -6.225  -3.219
   92    HE   ARG  68           HE       ARG  68   7.082  -4.492  -1.319
   93   HH11  ARG  68          HH11      ARG  68   7.529  -7.956  -1.121
   94   HH12  ARG  68          HH12      ARG  68   8.833  -7.848   0.026
   95   HH21  ARG  68          HH21      ARG  68   8.755  -4.337   0.202
   96   HH22  ARG  68          HH22      ARG  68   9.514  -5.783   0.809
   97    H    PHE  69           HN       PHE  69   4.840  -1.663  -1.583
   98    HA   PHE  69           HA       PHE  69   5.232   0.145  -3.827
   99    HB2  PHE  69           HB2      PHE  69   3.649   0.836  -1.394
  100    HB3  PHE  69           HB1      PHE  69   4.704   2.062  -2.093
  101    HD1  PHE  69           HD1      PHE  69   4.320   2.854  -4.382
  102    HD2  PHE  69           HD2      PHE  69   1.617   0.213  -2.428
  103    HE1  PHE  69           HE1      PHE  69   2.596   3.405  -6.047
  104    HE2  PHE  69           HE2      PHE  69  -0.110   0.759  -4.097
  105    HZ   PHE  69           HZ       PHE  69   0.379   2.356  -5.910
  106    H    VAL  70           HN       VAL  70   7.015   1.306  -3.684
  107    HA   VAL  70           HA       VAL  70   9.053   0.399  -1.924
  108    HB   VAL  70           HB       VAL  70   8.865   2.361  -4.186
  109   HG11  VAL  70          HG11      VAL  70  11.293   1.928  -2.476
  110   HG12  VAL  70          HG12      VAL  70  10.315   3.392  -2.547
  111   HG13  VAL  70          HG13      VAL  70  11.219   2.869  -3.966
  112   HG21  VAL  70          HG21      VAL  70   9.041  -0.017  -4.708
  113   HG22  VAL  70          HG22      VAL  70  10.525  -0.120  -3.761
  114   HG23  VAL  70          HG23      VAL  70  10.481   0.858  -5.227
  115    H    GLN  71           HN       GLN  71   6.951   3.216  -2.202
  116    HA   GLN  71           HA       GLN  71   8.335   4.580  -0.067
  117    HB2  GLN  71           HB2      GLN  71   5.994   5.315  -1.820
  118    HB3  GLN  71           HB1      GLN  71   6.864   6.386  -0.737
  119    HG2  GLN  71           HG2      GLN  71   8.254   4.939  -2.933
  120    HG3  GLN  71           HG1      GLN  71   7.433   6.461  -3.214
  121   HE21  GLN  71          HE21      GLN  71   9.339   7.529  -3.741
  122   HE22  GLN  71          HE22      GLN  71  10.528   7.936  -2.550
  123    H    SER  72           HN       SER  72   7.622   4.531   1.939
  124    HA   SER  72           HA       SER  72   5.576   2.908   2.884
  125    HB2  SER  72           HB2      SER  72   5.778   4.452   4.956
  126    HB3  SER  72           HB1      SER  72   7.214   3.570   4.439
  127    HG   SER  72           HG       SER  72   6.874   6.217   4.673
  128    H    SER  73           HN       SER  73   5.588   6.350   2.159
  129    HA   SER  73           HA       SER  73   3.024   6.996   3.014
  130    HB2  SER  73           HB2      SER  73   4.418   8.238   0.638
  131    HB3  SER  73           HB1      SER  73   3.291   9.004   1.757
  132    HG   SER  73           HG       SER  73   4.855   9.285   3.159
  133    H    GLN  74           HN       GLN  74   4.139   5.640  -0.079
  134    HA   GLN  74           HA       GLN  74   1.639   6.155  -1.378
  135    HB2  GLN  74           HB2      GLN  74   4.014   4.494  -2.239
  136    HB3  GLN  74           HB1      GLN  74   2.608   4.833  -3.250
  137    HG2  GLN  74           HG2      GLN  74   3.146   7.278  -2.955
  138    HG3  GLN  74           HG1      GLN  74   4.671   6.767  -2.237
  139   HE21  GLN  74          HE21      GLN  74   3.081   5.089  -4.854
  140   HE22  GLN  74          HE22      GLN  74   4.259   5.453  -6.066
  141    H    LEU  75           HN       LEU  75   3.178   3.470   0.264
  142    HA   LEU  75           HA       LEU  75   1.263   1.532  -0.571
  143    HB2  LEU  75           HB2      LEU  75   3.646   1.174   0.367
  144    HB3  LEU  75           HB1      LEU  75   2.910   1.392   1.949
  145    HG   LEU  75           HG       LEU  75   3.232  -0.986   1.330
  146   HD11  LEU  75          HD11      LEU  75   0.344  -0.211   1.525
  147   HD12  LEU  75          HD12      LEU  75   1.466  -0.264   2.886
  148   HD13  LEU  75          HD13      LEU  75   1.065  -1.744   2.013
  149   HD21  LEU  75          HD21      LEU  75   1.791  -1.998  -0.353
  150   HD22  LEU  75          HD22      LEU  75   2.863  -0.797  -1.072
  151   HD23  LEU  75          HD23      LEU  75   1.168  -0.407  -0.786
  152    H    ALA  76           HN       ALA  76   1.642   3.639   2.253
  153    HA   ALA  76           HA       ALA  76  -0.709   2.726   3.571
  154    HB1  ALA  76           HB1      ALA  76   0.584   5.455   3.785
  155    HB2  ALA  76           HB2      ALA  76   1.090   4.032   4.696
  156    HB3  ALA  76           HB3      ALA  76  -0.519   4.710   4.943
  157    H    ASN  77           HN       ASN  77  -0.055   5.241   1.160
  158    HA   ASN  77           HA       ASN  77  -2.695   6.271   1.075
  159    HB2  ASN  77           HB2      ASN  77  -0.765   7.351  -0.049
  160    HB3  ASN  77           HB1      ASN  77  -0.704   6.019  -1.200
  161   HD21  ASN  77          HD21      ASN  77  -3.644   7.447   0.054
  162   HD22  ASN  77          HD22      ASN  77  -4.182   8.124  -1.460
  163    H    HIS  78           HN       HIS  78  -1.102   3.629  -0.559
  164    HA   HIS  78           HA       HIS  78  -3.071   2.729  -2.283
  165    HB2  HIS  78           HB2      HIS  78  -0.753   1.947  -2.262
  166    HB3  HIS  78           HB1      HIS  78  -1.010   1.187  -0.697
  167    HD1  HIS  78           HD1      HIS  78  -1.565   0.658  -4.353
  168    HD2  HIS  78           HD2      HIS  78  -2.428  -1.190  -0.734
  169    HE1  HIS  78           HE1      HIS  78  -2.208  -1.716  -4.913
  170    H    ILE  79           HN       ILE  79  -2.481   1.820   1.101
  171    HA   ILE  79           HA       ILE  79  -4.732   0.045   1.110
  172    HB   ILE  79           HB       ILE  79  -2.795   0.886   3.242
  173   HG12  ILE  79          HG12      ILE  79  -3.281  -1.659   1.681
  174   HG13  ILE  79          HG11      ILE  79  -1.965  -0.516   1.413
  175   HG21  ILE  79          HG21      ILE  79  -3.766  -0.827   4.665
  176   HG22  ILE  79          HG22      ILE  79  -5.002  -1.155   3.450
  177   HG23  ILE  79          HG23      ILE  79  -4.969   0.402   4.277
  178   HD11  ILE  79          HD11      ILE  79  -1.060  -1.040   3.585
  179   HD12  ILE  79          HD12      ILE  79  -1.235  -2.495   2.584
  180   HD13  ILE  79          HD13      ILE  79  -2.392  -2.161   3.881
  181    H    ARG  80           HN       ARG  80  -4.130   3.358   2.331
  182    HA   ARG  80           HA       ARG  80  -6.625   3.739   3.494
  183    HB2  ARG  80           HB2      ARG  80  -4.602   5.429   2.134
  184    HB3  ARG  80           HB1      ARG  80  -6.187   6.108   2.402
  185    HG2  ARG  80           HG2      ARG  80  -4.445   4.928   4.539
  186    HG3  ARG  80           HG1      ARG  80  -4.592   6.646   4.184
  187    HD2  ARG  80           HD2      ARG  80  -6.737   4.780   5.193
  188    HD3  ARG  80           HD1      ARG  80  -6.014   6.139   6.049
  189    HE   ARG  80           HE       ARG  80  -7.080   7.431   4.023
  190   HH11  ARG  80          HH11      ARG  80  -8.437   4.858   5.960
  191   HH12  ARG  80          HH12      ARG  80 -10.091   5.305   5.636
  192   HH21  ARG  80          HH21      ARG  80  -9.252   8.060   3.625
  193   HH22  ARG  80          HH22      ARG  80 -10.552   7.119   4.297
  194    H    HIS  81           HN       HIS  81  -5.673   3.375   0.199
  195    HA   HIS  81           HA       HIS  81  -8.098   4.333  -0.993
  196    HB2  HIS  81           HB2      HIS  81  -5.732   4.107  -2.022
  197    HB3  HIS  81           HB1      HIS  81  -6.138   2.412  -2.246
  198    HD1  HIS  81           HD1      HIS  81  -5.511   3.772  -4.728
  199    HD2  HIS  81           HD2      HIS  81  -9.338   3.950  -3.107
  200    HE1  HIS  81           HE1      HIS  81  -7.035   4.346  -6.644
  201    HE2  HIS  81           HE2      HIS  81  -9.357   4.207  -5.681
  202    H    HIS  82           HN       HIS  82  -7.327   1.636   0.814
  203    HA   HIS  82           HA       HIS  82  -9.316  -0.088  -0.456
  204    HB2  HIS  82           HB2      HIS  82  -7.126  -0.538   1.528
  205    HB3  HIS  82           HB1      HIS  82  -8.511  -1.622   1.542
  206    HD1  HIS  82           HD1      HIS  82  -8.447  -3.526  -0.096
  207    HD2  HIS  82           HD2      HIS  82  -5.747  -0.503  -1.016
  208    HE1  HIS  82           HE1      HIS  82  -6.966  -4.421  -1.956
  209    H    ASP  83           HN       ASP  83  -9.131   2.251   1.878
  210    HA   ASP  83           HA       ASP  83 -11.312   1.077   3.456
  211    HB2  ASP  83           HB2      ASP  83  -9.378   3.310   4.099
  212    HB3  ASP  83           HB1      ASP  83 -10.806   2.965   5.076
  Start of MODEL    3
    1    H1   LYS  58           HT1      LYS  58  10.546  -6.384  -0.465
    2    H2   LYS  58           HT2      LYS  58  11.957  -5.671   0.146
    3    H3   LYS  58           HT3      LYS  58  11.646  -5.636  -1.519
    4    HA   LYS  58           HA       LYS  58  11.215  -3.500  -0.466
    5    HB2  LYS  58           HB2      LYS  58   8.743  -4.938  -1.457
    6    HB3  LYS  58           HB1      LYS  58   8.926  -3.192  -1.351
    7    HG2  LYS  58           HG2      LYS  58  10.741  -3.270  -2.973
    8    HG3  LYS  58           HG1      LYS  58  10.588  -5.025  -3.070
    9    HD2  LYS  58           HD2      LYS  58   8.197  -4.653  -3.783
   10    HD3  LYS  58           HD1      LYS  58   8.593  -2.941  -3.931
   11    HE2  LYS  58           HE2      LYS  58  10.084  -5.135  -5.356
   12    HE3  LYS  58           HE1      LYS  58   8.723  -4.265  -6.060
   13    HZ1  LYS  58           HZ1      LYS  58  11.288  -3.050  -5.170
   14    HZ2  LYS  58           HZ2      LYS  58   9.974  -2.213  -5.840
   15    HZ3  LYS  58           HZ3      LYS  58  10.819  -3.339  -6.776
   16    HA   PRO  59           HA       PRO  59   9.953  -3.819   3.659
   17    HB2  PRO  59           HB2      PRO  59   9.473  -0.957   3.768
   18    HB3  PRO  59           HB1      PRO  59  10.836  -1.883   4.410
   19    HG2  PRO  59           HG2      PRO  59  11.068  -0.162   2.320
   20    HG3  PRO  59           HG1      PRO  59  12.092  -1.599   2.509
   21    HD2  PRO  59           HD2      PRO  59   9.665  -1.215   0.787
   22    HD3  PRO  59           HD1      PRO  59  11.208  -2.004   0.397
   23    H    TYR  60           HN       TYR  60   7.738  -2.264   1.434
   24    HA   TYR  60           HA       TYR  60   5.608  -2.681   3.411
   25    HB2  TYR  60           HB2      TYR  60   6.030  -0.252   1.673
   26    HB3  TYR  60           HB1      TYR  60   4.514  -0.594   2.505
   27    HD1  TYR  60           HD2      TYR  60   4.381  -0.481   4.945
   28    HD2  TYR  60           HD1      TYR  60   7.982   0.466   2.882
   29    HE1  TYR  60           HE2      TYR  60   5.247   0.614   6.971
   30    HE2  TYR  60           HE1      TYR  60   8.856   1.564   4.902
   31    HH   TYR  60           HH       TYR  60   7.345   1.251   7.964
   32    H    VAL  61           HN       VAL  61   4.095  -3.971   2.735
   33    HA   VAL  61           HA       VAL  61   3.336  -3.980  -0.098
   34    HB   VAL  61           HB       VAL  61   3.664  -6.442   1.638
   35   HG11  VAL  61          HG11      VAL  61   1.790  -6.560   0.059
   36   HG12  VAL  61          HG12      VAL  61   3.072  -7.708  -0.325
   37   HG13  VAL  61          HG13      VAL  61   2.903  -6.224  -1.269
   38   HG21  VAL  61          HG21      VAL  61   5.253  -5.503  -0.740
   39   HG22  VAL  61          HG22      VAL  61   5.441  -7.062   0.064
   40   HG23  VAL  61          HG23      VAL  61   5.813  -5.573   0.929
   41    H    CYS  62           HN       CYS  62   1.149  -4.155  -0.448
   42    HA   CYS  62           HA       CYS  62  -0.617  -3.680   1.749
   43    HB2  CYS  62           HB2      CYS  62  -1.101  -2.814  -0.508
   44    HB3  CYS  62           HB1      CYS  62  -1.246  -4.456  -1.099
   45    H    GLU  63           HN       GLU  63  -0.628  -5.319   3.179
   46    HA   GLU  63           HA       GLU  63  -0.659  -8.040   2.787
   47    HB2  GLU  63           HB2      GLU  63  -0.499  -7.023   4.978
   48    HB3  GLU  63           HB1      GLU  63  -2.115  -6.353   4.829
   49    HG2  GLU  63           HG2      GLU  63  -2.916  -8.769   4.690
   50    HG3  GLU  63           HG1      GLU  63  -1.301  -9.202   5.255
   51    H    ARG  64           HN       ARG  64  -3.125  -5.720   2.176
   52    HA   ARG  64           HA       ARG  64  -5.316  -7.531   2.369
   53    HB2  ARG  64           HB2      ARG  64  -5.303  -4.713   1.303
   54    HB3  ARG  64           HB1      ARG  64  -6.680  -5.620   1.923
   55    HG2  ARG  64           HG2      ARG  64  -5.587  -5.711   4.129
   56    HG3  ARG  64           HG1      ARG  64  -4.282  -4.713   3.496
   57    HD2  ARG  64           HD2      ARG  64  -5.920  -2.932   3.013
   58    HD3  ARG  64           HD1      ARG  64  -7.184  -3.936   3.745
   59    HE   ARG  64           HE       ARG  64  -4.845  -3.331   5.389
   60   HH11  ARG  64          HH11      ARG  64  -8.207  -2.684   4.630
   61   HH12  ARG  64          HH12      ARG  64  -8.513  -1.828   6.119
   62   HH21  ARG  64          HH21      ARG  64  -5.256  -2.253   7.373
   63   HH22  ARG  64          HH22      ARG  64  -6.841  -1.605   7.678
   64    H    CYS  65           HN       CYS  65  -3.504  -6.081  -0.415
   65    HA   CYS  65           HA       CYS  65  -4.990  -8.068  -2.002
   66    HB2  CYS  65           HB2      CYS  65  -5.444  -6.602  -3.790
   67    HB3  CYS  65           HB1      CYS  65  -5.956  -5.765  -2.325
   68    H    GLY  66           HN       GLY  66  -2.065  -7.301  -0.967
   69    HA2  GLY  66           HA2      GLY  66  -0.119  -8.432  -1.538
   70    HA3  GLY  66           HA1      GLY  66  -0.874  -8.911  -3.055
   71    H    LYS  67           HN       LYS  67  -1.502  -5.878  -3.393
   72    HA   LYS  67           HA       LYS  67   0.785  -5.405  -5.058
   73    HB2  LYS  67           HB2      LYS  67  -1.545  -3.619  -4.328
   74    HB3  LYS  67           HB1      LYS  67  -0.347  -3.253  -5.564
   75    HG2  LYS  67           HG2      LYS  67  -1.087  -4.975  -6.958
   76    HG3  LYS  67           HG1      LYS  67  -1.966  -5.773  -5.655
   77    HD2  LYS  67           HD2      LYS  67  -3.564  -3.948  -5.601
   78    HD3  LYS  67           HD1      LYS  67  -2.663  -3.099  -6.860
   79    HE2  LYS  67           HE2      LYS  67  -3.926  -5.819  -7.173
   80    HE3  LYS  67           HE1      LYS  67  -4.643  -4.308  -7.717
   81    HZ1  LYS  67           HZ1      LYS  67  -2.020  -5.338  -8.645
   82    HZ2  LYS  67           HZ2      LYS  67  -2.840  -3.976  -9.229
   83    HZ3  LYS  67           HZ3      LYS  67  -3.479  -5.523  -9.491
   84    H    ARG  68           HN       ARG  68   2.569  -4.217  -4.649
   85    HA   ARG  68           HA       ARG  68   2.787  -3.166  -1.927
   86    HB2  ARG  68           HB2      ARG  68   5.197  -3.829  -2.155
   87    HB3  ARG  68           HB1      ARG  68   4.044  -5.158  -2.079
   88    HG2  ARG  68           HG2      ARG  68   4.132  -5.318  -4.517
   89    HG3  ARG  68           HG1      ARG  68   5.342  -4.032  -4.530
   90    HD2  ARG  68           HD2      ARG  68   6.752  -5.486  -3.051
   91    HD3  ARG  68           HD1      ARG  68   5.583  -6.780  -3.321
   92    HE   ARG  68           HE       ARG  68   6.477  -5.728  -5.796
   93   HH11  ARG  68          HH11      ARG  68   7.407  -7.872  -3.173
   94   HH12  ARG  68          HH12      ARG  68   8.640  -8.674  -4.108
   95   HH21  ARG  68          HH21      ARG  68   8.123  -6.771  -7.002
   96   HH22  ARG  68          HH22      ARG  68   9.070  -8.025  -6.254
   97    H    PHE  69           HN       PHE  69   4.704  -1.727  -1.640
   98    HA   PHE  69           HA       PHE  69   5.331   0.058  -3.828
   99    HB2  PHE  69           HB2      PHE  69   3.665   0.874  -1.457
  100    HB3  PHE  69           HB1      PHE  69   4.699   2.038  -2.289
  101    HD1  PHE  69           HD1      PHE  69   4.245   2.616  -4.650
  102    HD2  PHE  69           HD2      PHE  69   1.615   0.165  -2.378
  103    HE1  PHE  69           HE1      PHE  69   2.451   3.016  -6.288
  104    HE2  PHE  69           HE2      PHE  69  -0.178   0.557  -4.010
  105    HZ   PHE  69           HZ       PHE  69   0.271   2.004  -6.002
  106    H    VAL  70           HN       VAL  70   7.169   1.144  -3.491
  107    HA   VAL  70           HA       VAL  70   8.957   0.095  -1.562
  108    HB   VAL  70           HB       VAL  70   9.122   2.172  -3.730
  109   HG11  VAL  70          HG11      VAL  70  10.531   2.986  -1.978
  110   HG12  VAL  70          HG12      VAL  70  11.521   2.343  -3.288
  111   HG13  VAL  70          HG13      VAL  70  11.295   1.409  -1.809
  112   HG21  VAL  70          HG21      VAL  70  10.422  -0.515  -3.329
  113   HG22  VAL  70          HG22      VAL  70  10.723   0.566  -4.688
  114   HG23  VAL  70          HG23      VAL  70   9.118  -0.128  -4.455
  115    H    GLN  71           HN       GLN  71   6.998   3.008  -1.894
  116    HA   GLN  71           HA       GLN  71   8.291   4.216   0.396
  117    HB2  GLN  71           HB2      GLN  71   6.211   5.180  -1.566
  118    HB3  GLN  71           HB1      GLN  71   7.050   6.155  -0.372
  119    HG2  GLN  71           HG2      GLN  71   8.514   4.617  -2.463
  120    HG3  GLN  71           HG1      GLN  71   7.912   6.237  -2.748
  121   HE21  GLN  71          HE21      GLN  71  10.148   4.283  -0.938
  122   HE22  GLN  71          HE22      GLN  71  11.172   5.573  -0.411
  123    H    SER  72           HN       SER  72   7.395   4.211   2.322
  124    HA   SER  72           HA       SER  72   5.185   2.681   3.042
  125    HB2  SER  72           HB2      SER  72   6.982   3.401   4.594
  126    HB3  SER  72           HB1      SER  72   6.371   5.052   4.514
  127    HG   SER  72           HG       SER  72   4.402   3.289   5.147
  128    H    SER  73           HN       SER  73   5.465   6.116   2.314
  129    HA   SER  73           HA       SER  73   2.881   6.883   3.110
  130    HB2  SER  73           HB2      SER  73   4.807   8.427   2.616
  131    HB3  SER  73           HB1      SER  73   4.544   8.121   0.900
  132    HG   SER  73           HG       SER  73   3.138   9.701   2.655
  133    H    GLN  74           HN       GLN  74   4.136   5.546   0.079
  134    HA   GLN  74           HA       GLN  74   1.679   6.110  -1.317
  135    HB2  GLN  74           HB2      GLN  74   4.173   4.599  -2.110
  136    HB3  GLN  74           HB1      GLN  74   2.776   4.811  -3.174
  137    HG2  GLN  74           HG2      GLN  74   4.488   6.997  -2.008
  138    HG3  GLN  74           HG1      GLN  74   4.477   6.448  -3.684
  139   HE21  GLN  74          HE21      GLN  74   3.901   9.095  -2.507
  140   HE22  GLN  74          HE22      GLN  74   2.315   9.514  -3.058
  141    H    LEU  75           HN       LEU  75   3.187   3.435   0.321
  142    HA   LEU  75           HA       LEU  75   1.331   1.463  -0.516
  143    HB2  LEU  75           HB2      LEU  75   3.662   1.216   0.600
  144    HB3  LEU  75           HB1      LEU  75   2.803   1.461   2.114
  145    HG   LEU  75           HG       LEU  75   3.221  -0.914   1.667
  146   HD11  LEU  75          HD11      LEU  75   1.237  -0.276   2.939
  147   HD12  LEU  75          HD12      LEU  75   0.970  -1.742   1.995
  148   HD13  LEU  75          HD13      LEU  75   0.310  -0.200   1.439
  149   HD21  LEU  75          HD21      LEU  75   2.069  -2.048  -0.157
  150   HD22  LEU  75          HD22      LEU  75   3.217  -0.850  -0.756
  151   HD23  LEU  75          HD23      LEU  75   1.489  -0.493  -0.758
  152    H    ALA  76           HN       ALA  76   1.530   3.683   2.243
  153    HA   ALA  76           HA       ALA  76  -0.918   2.820   3.417
  154    HB1  ALA  76           HB1      ALA  76  -0.825   4.887   4.705
  155    HB2  ALA  76           HB2      ALA  76   0.432   5.517   3.641
  156    HB3  ALA  76           HB3      ALA  76   0.765   4.124   4.671
  157    H    ASN  77           HN       ASN  77  -0.069   5.315   1.030
  158    HA   ASN  77           HA       ASN  77  -2.635   6.409   0.705
  159    HB2  ASN  77           HB2      ASN  77  -0.575   7.300  -0.382
  160    HB3  ASN  77           HB1      ASN  77  -0.572   5.911  -1.461
  161   HD21  ASN  77          HD21      ASN  77  -0.755   7.149  -3.293
  162   HD22  ASN  77          HD22      ASN  77  -2.219   7.988  -3.717
  163    H    HIS  78           HN       HIS  78  -1.104   3.592  -0.711
  164    HA   HIS  78           HA       HIS  78  -3.092   2.718  -2.444
  165    HB2  HIS  78           HB2      HIS  78  -0.827   1.831  -2.400
  166    HB3  HIS  78           HB1      HIS  78  -1.082   1.191  -0.779
  167    HD1  HIS  78           HD1      HIS  78  -1.829   0.483  -4.386
  168    HD2  HIS  78           HD2      HIS  78  -2.496  -1.170  -0.629
  169    HE1  HIS  78           HE1      HIS  78  -2.555  -1.903  -4.778
  170    H    ILE  79           HN       ILE  79  -2.513   1.759   0.934
  171    HA   ILE  79           HA       ILE  79  -4.826   0.081   1.017
  172    HB   ILE  79           HB       ILE  79  -2.852   0.965   3.105
  173   HG12  ILE  79          HG12      ILE  79  -3.381  -1.635   1.655
  174   HG13  ILE  79          HG11      ILE  79  -2.058  -0.514   1.326
  175   HG21  ILE  79          HG21      ILE  79  -5.071  -1.052   3.407
  176   HG22  ILE  79          HG22      ILE  79  -5.035   0.541   4.163
  177   HG23  ILE  79          HG23      ILE  79  -3.829  -0.669   4.602
  178   HD11  ILE  79          HD11      ILE  79  -1.313  -2.439   2.578
  179   HD12  ILE  79          HD12      ILE  79  -2.470  -2.061   3.864
  180   HD13  ILE  79          HD13      ILE  79  -1.139  -0.951   3.523
  181    H    ARG  80           HN       ARG  80  -4.199   3.446   1.811
  182    HA   ARG  80           HA       ARG  80  -6.473   3.982   3.307
  183    HB2  ARG  80           HB2      ARG  80  -4.800   5.558   1.407
  184    HB3  ARG  80           HB1      ARG  80  -6.245   6.248   2.096
  185    HG2  ARG  80           HG2      ARG  80  -5.375   5.793   4.347
  186    HG3  ARG  80           HG1      ARG  80  -3.894   5.182   3.612
  187    HD2  ARG  80           HD2      ARG  80  -3.550   7.383   2.560
  188    HD3  ARG  80           HD1      ARG  80  -4.985   7.977   3.396
  189    HE   ARG  80           HE       ARG  80  -3.641   7.188   5.481
  190   HH11  ARG  80          HH11      ARG  80  -2.382   8.807   2.631
  191   HH12  ARG  80          HH12      ARG  80  -1.030   9.509   3.469
  192   HH21  ARG  80          HH21      ARG  80  -1.850   8.096   6.572
  193   HH22  ARG  80          HH22      ARG  80  -0.725   9.097   5.710
  194    H    HIS  81           HN       HIS  81  -6.222   3.042   0.015
  195    HA   HIS  81           HA       HIS  81  -8.894   3.988  -0.633
  196    HB2  HIS  81           HB2      HIS  81  -7.158   4.071  -2.371
  197    HB3  HIS  81           HB1      HIS  81  -6.940   2.329  -2.250
  198    HD1  HIS  81           HD1      HIS  81  -8.018   1.153  -4.104
  199    HD2  HIS  81           HD2      HIS  81 -10.125   4.573  -3.036
  200    HE1  HIS  81           HE1      HIS  81 -10.006   1.232  -5.646
  201    HE2  HIS  81           HE2      HIS  81 -11.367   3.205  -4.851
  202    H    HIS  82           HN       HIS  82  -7.661   1.508   1.115
  203    HA   HIS  82           HA       HIS  82  -9.559  -0.501   0.205
  204    HB2  HIS  82           HB2      HIS  82  -7.191  -0.525   2.014
  205    HB3  HIS  82           HB1      HIS  82  -8.426  -1.747   2.258
  206    HD1  HIS  82           HD1      HIS  82  -8.293  -3.789   0.769
  207    HD2  HIS  82           HD2      HIS  82  -6.022  -0.592  -0.627
  208    HE1  HIS  82           HE1      HIS  82  -6.930  -4.667  -1.177
  209    H    ASP  83           HN       ASP  83  -9.410   2.009   2.417
  210    HA   ASP  83           HA       ASP  83 -11.582   0.829   3.996
  211    HB2  ASP  83           HB2      ASP  83 -11.078   2.410   5.768
  212    HB3  ASP  83           HB1      ASP  83  -9.631   1.496   5.356
  Start of MODEL    4
    1    H1   LYS  58           HT1      LYS  58  10.709   1.229   0.019
    2    H2   LYS  58           HT2      LYS  58  12.072   0.246   0.192
    3    H3   LYS  58           HT3      LYS  58  11.988   1.729   1.009
    4    HA   LYS  58           HA       LYS  58  11.566  -0.018   2.556
    5    HB2  LYS  58           HB2      LYS  58   9.072   1.490   1.748
    6    HB3  LYS  58           HB1      LYS  58   9.247   0.611   3.259
    7    HG2  LYS  58           HG2      LYS  58  10.976   2.920   2.404
    8    HG3  LYS  58           HG1      LYS  58   9.596   3.034   3.498
    9    HD2  LYS  58           HD2      LYS  58  10.722   1.426   5.010
   10    HD3  LYS  58           HD1      LYS  58  12.124   1.450   3.938
   11    HE2  LYS  58           HE2      LYS  58  12.370   3.855   4.316
   12    HE3  LYS  58           HE1      LYS  58  10.971   3.827   5.391
   13    HZ1  LYS  58           HZ1      LYS  58  13.563   2.441   5.809
   14    HZ2  LYS  58           HZ2      LYS  58  12.202   2.249   6.805
   15    HZ3  LYS  58           HZ3      LYS  58  12.959   3.760   6.690
   16    HA   PRO  59           HA       PRO  59   9.678  -3.655   0.881
   17    HB2  PRO  59           HB2      PRO  59   9.833  -5.232   3.000
   18    HB3  PRO  59           HB1      PRO  59  11.312  -4.590   2.256
   19    HG2  PRO  59           HG2      PRO  59   9.865  -3.664   4.698
   20    HG3  PRO  59           HG1      PRO  59  11.608  -3.858   4.446
   21    HD2  PRO  59           HD2      PRO  59  10.213  -1.461   4.240
   22    HD3  PRO  59           HD1      PRO  59  11.801  -1.782   3.510
   23    H    TYR  60           HN       TYR  60   7.733  -1.737   1.409
   24    HA   TYR  60           HA       TYR  60   5.840  -2.898   3.278
   25    HB2  TYR  60           HB2      TYR  60   6.001  -0.291   1.812
   26    HB3  TYR  60           HB1      TYR  60   4.467  -0.819   2.496
   27    HD1  TYR  60           HD1      TYR  60   8.049  -0.557   3.534
   28    HD2  TYR  60           HD2      TYR  60   3.967  -0.048   4.604
   29    HE1  TYR  60           HE1      TYR  60   8.739   0.329   5.723
   30    HE2  TYR  60           HE2      TYR  60   4.640   0.838   6.794
   31    HH   TYR  60           HH       TYR  60   7.792   1.800   7.502
   32    H    VAL  61           HN       VAL  61   4.212  -4.131   2.741
   33    HA   VAL  61           HA       VAL  61   3.364  -4.266  -0.069
   34    HB   VAL  61           HB       VAL  61   3.556  -6.553   1.907
   35   HG11  VAL  61          HG11      VAL  61   2.933  -7.963  -0.003
   36   HG12  VAL  61          HG12      VAL  61   2.698  -6.515  -0.982
   37   HG13  VAL  61          HG13      VAL  61   1.662  -6.814   0.414
   38   HG21  VAL  61          HG21      VAL  61   5.737  -5.882   1.100
   39   HG22  VAL  61          HG22      VAL  61   5.155  -5.935  -0.564
   40   HG23  VAL  61          HG23      VAL  61   5.271  -7.422   0.378
   41    H    CYS  62           HN       CYS  62   1.215  -4.183  -0.423
   42    HA   CYS  62           HA       CYS  62  -0.546  -3.430   1.674
   43    HB2  CYS  62           HB2      CYS  62  -1.048  -2.665  -0.553
   44    HB3  CYS  62           HB1      CYS  62  -1.108  -4.315  -1.159
   45    H    GLU  63           HN       GLU  63  -0.888  -4.857   3.249
   46    HA   GLU  63           HA       GLU  63  -1.015  -7.616   3.104
   47    HB2  GLU  63           HB2      GLU  63  -2.372  -7.450   5.207
   48    HB3  GLU  63           HB1      GLU  63  -0.877  -6.523   5.233
   49    HG2  GLU  63           HG2      GLU  63  -2.073  -4.480   4.822
   50    HG3  GLU  63           HG1      GLU  63  -3.580  -5.364   4.608
   51    H    ARG  64           HN       ARG  64  -3.369  -5.245   2.197
   52    HA   ARG  64           HA       ARG  64  -5.612  -6.978   2.390
   53    HB2  ARG  64           HB2      ARG  64  -5.359  -4.262   1.109
   54    HB3  ARG  64           HB1      ARG  64  -6.862  -5.098   1.467
   55    HG2  ARG  64           HG2      ARG  64  -6.150  -5.119   3.869
   56    HG3  ARG  64           HG1      ARG  64  -4.838  -4.044   3.408
   57    HD2  ARG  64           HD2      ARG  64  -6.738  -2.803   4.294
   58    HD3  ARG  64           HD1      ARG  64  -6.421  -2.397   2.604
   59    HE   ARG  64           HE       ARG  64  -8.308  -4.270   2.339
   60   HH11  ARG  64          HH11      ARG  64  -8.138  -1.613   4.622
   61   HH12  ARG  64          HH12      ARG  64  -9.846  -1.292   4.569
   62   HH21  ARG  64          HH21      ARG  64 -10.556  -3.864   2.295
   63   HH22  ARG  64          HH22      ARG  64 -11.226  -2.573   3.252
   64    H    CYS  65           HN       CYS  65  -3.569  -5.894  -0.411
   65    HA   CYS  65           HA       CYS  65  -5.084  -7.965  -1.869
   66    HB2  CYS  65           HB2      CYS  65  -5.362  -6.639  -3.836
   67    HB3  CYS  65           HB1      CYS  65  -5.962  -5.712  -2.464
   68    H    GLY  66           HN       GLY  66  -2.068  -6.891  -0.964
   69    HA2  GLY  66           HA2      GLY  66  -0.213  -8.322  -1.267
   70    HA3  GLY  66           HA1      GLY  66  -0.926  -8.888  -2.776
   71    H    LYS  67           HN       LYS  67  -1.259  -5.702  -3.144
   72    HA   LYS  67           HA       LYS  67   1.023  -5.610  -4.887
   73    HB2  LYS  67           HB2      LYS  67  -1.052  -3.514  -4.256
   74    HB3  LYS  67           HB1      LYS  67   0.225  -3.310  -5.447
   75    HG2  LYS  67           HG2      LYS  67  -2.078  -5.232  -5.515
   76    HG3  LYS  67           HG1      LYS  67  -1.703  -3.925  -6.636
   77    HD2  LYS  67           HD2      LYS  67  -0.081  -6.431  -6.253
   78    HD3  LYS  67           HD1      LYS  67  -1.171  -6.102  -7.597
   79    HE2  LYS  67           HE2      LYS  67   1.285  -4.497  -6.906
   80    HE3  LYS  67           HE1      LYS  67   1.176  -5.707  -8.177
   81    HZ1  LYS  67           HZ1      LYS  67   0.935  -3.467  -9.046
   82    HZ2  LYS  67           HZ2      LYS  67  -0.420  -3.209  -8.058
   83    HZ3  LYS  67           HZ3      LYS  67  -0.478  -4.374  -9.290
   84    H    ARG  68           HN       ARG  68   2.838  -4.385  -4.764
   85    HA   ARG  68           HA       ARG  68   3.543  -3.522  -2.073
   86    HB2  ARG  68           HB2      ARG  68   5.250  -4.246  -4.449
   87    HB3  ARG  68           HB1      ARG  68   5.838  -3.850  -2.835
   88    HG2  ARG  68           HG2      ARG  68   4.623  -5.720  -1.927
   89    HG3  ARG  68           HG1      ARG  68   4.069  -6.152  -3.549
   90    HD2  ARG  68           HD2      ARG  68   6.446  -6.370  -4.235
   91    HD3  ARG  68           HD1      ARG  68   6.904  -6.100  -2.557
   92    HE   ARG  68           HE       ARG  68   5.138  -8.336  -3.282
   93   HH11  ARG  68          HH11      ARG  68   8.083  -7.127  -1.814
   94   HH12  ARG  68          HH12      ARG  68   8.576  -8.686  -1.221
   95   HH21  ARG  68          HH21      ARG  68   5.763 -10.372  -2.490
   96   HH22  ARG  68          HH22      ARG  68   7.256 -10.538  -1.601
   97    H    PHE  69           HN       PHE  69   4.989  -1.794  -1.789
   98    HA   PHE  69           HA       PHE  69   5.322   0.179  -3.889
   99    HB2  PHE  69           HB2      PHE  69   3.642   0.686  -1.459
  100    HB3  PHE  69           HB1      PHE  69   4.554   1.998  -2.212
  101    HD1  PHE  69           HD1      PHE  69   4.113   2.566  -4.610
  102    HD2  PHE  69           HD2      PHE  69   1.640  -0.085  -2.387
  103    HE1  PHE  69           HE1      PHE  69   2.295   2.892  -6.236
  104    HE2  PHE  69           HE2      PHE  69  -0.177   0.237  -4.009
  105    HZ   PHE  69           HZ       PHE  69   0.233   1.648  -6.041
  106    H    VAL  70           HN       VAL  70   7.028   1.384  -3.654
  107    HA   VAL  70           HA       VAL  70   9.075   0.445  -1.957
  108    HB   VAL  70           HB       VAL  70   8.963   2.788  -3.865
  109   HG11  VAL  70          HG11      VAL  70  11.335   1.395  -2.673
  110   HG12  VAL  70          HG12      VAL  70  10.741   2.989  -2.223
  111   HG13  VAL  70          HG13      VAL  70  11.371   2.712  -3.844
  112   HG21  VAL  70          HG21      VAL  70  10.105   1.292  -5.431
  113   HG22  VAL  70          HG22      VAL  70   8.521   0.668  -4.972
  114   HG23  VAL  70          HG23      VAL  70   9.980  -0.024  -4.261
  115    H    GLN  71           HN       GLN  71   6.888   3.201  -1.989
  116    HA   GLN  71           HA       GLN  71   8.260   4.354   0.294
  117    HB2  GLN  71           HB2      GLN  71   6.078   5.352  -1.534
  118    HB3  GLN  71           HB1      GLN  71   6.723   6.239  -0.174
  119    HG2  GLN  71           HG2      GLN  71   8.997   5.697  -1.482
  120    HG3  GLN  71           HG1      GLN  71   7.868   5.765  -2.831
  121   HE21  GLN  71          HE21      GLN  71   8.772   7.653  -3.656
  122   HE22  GLN  71          HE22      GLN  71   8.568   9.188  -2.885
  123    H    SER  72           HN       SER  72   7.459   4.140   2.254
  124    HA   SER  72           HA       SER  72   5.383   2.457   2.970
  125    HB2  SER  72           HB2      SER  72   6.268   4.839   4.604
  126    HB3  SER  72           HB1      SER  72   5.691   3.276   5.187
  127    HG   SER  72           HG       SER  72   8.047   3.653   5.227
  128    H    SER  73           HN       SER  73   5.412   5.937   2.448
  129    HA   SER  73           HA       SER  73   2.790   6.444   3.336
  130    HB2  SER  73           HB2      SER  73   3.112   8.564   1.911
  131    HB3  SER  73           HB1      SER  73   4.238   8.298   3.242
  132    HG   SER  73           HG       SER  73   5.083   8.884   1.032
  133    H    GLN  74           HN       GLN  74   4.094   5.430   0.225
  134    HA   GLN  74           HA       GLN  74   1.688   6.055  -1.205
  135    HB2  GLN  74           HB2      GLN  74   4.089   4.403  -2.022
  136    HB3  GLN  74           HB1      GLN  74   2.779   4.891  -3.098
  137    HG2  GLN  74           HG2      GLN  74   4.690   6.727  -1.669
  138    HG3  GLN  74           HG1      GLN  74   4.717   6.317  -3.383
  139   HE21  GLN  74          HE21      GLN  74   1.839   6.387  -3.681
  140   HE22  GLN  74          HE22      GLN  74   1.373   8.060  -3.626
  141    H    LEU  75           HN       LEU  75   3.115   3.273   0.353
  142    HA   LEU  75           HA       LEU  75   1.213   1.378  -0.567
  143    HB2  LEU  75           HB2      LEU  75   3.532   1.017   0.549
  144    HB3  LEU  75           HB1      LEU  75   2.683   1.252   2.069
  145    HG   LEU  75           HG       LEU  75   3.023  -1.120   1.573
  146   HD11  LEU  75          HD11      LEU  75   0.725  -1.884   1.858
  147   HD12  LEU  75          HD12      LEU  75   0.142  -0.282   1.392
  148   HD13  LEU  75          HD13      LEU  75   1.082  -0.483   2.874
  149   HD21  LEU  75          HD21      LEU  75   3.041  -1.033  -0.842
  150   HD22  LEU  75          HD22      LEU  75   1.336  -0.585  -0.866
  151   HD23  LEU  75          HD23      LEU  75   1.821  -2.178  -0.284
  152    H    ALA  76           HN       ALA  76   1.474   3.477   2.257
  153    HA   ALA  76           HA       ALA  76  -0.974   2.674   3.441
  154    HB1  ALA  76           HB1      ALA  76   0.786   3.898   4.666
  155    HB2  ALA  76           HB2      ALA  76  -0.781   4.700   4.775
  156    HB3  ALA  76           HB3      ALA  76   0.457   5.327   3.687
  157    H    ASN  77           HN       ASN  77  -0.127   5.219   1.086
  158    HA   ASN  77           HA       ASN  77  -2.720   6.307   0.861
  159    HB2  ASN  77           HB2      ASN  77  -0.512   6.048  -1.187
  160    HB3  ASN  77           HB1      ASN  77  -2.020   6.896  -1.509
  161   HD21  ASN  77          HD21      ASN  77   0.623   7.955  -1.553
  162   HD22  ASN  77          HD22      ASN  77   0.693   9.214  -0.353
  163    H    HIS  78           HN       HIS  78  -1.151   3.601  -0.732
  164    HA   HIS  78           HA       HIS  78  -3.098   2.807  -2.527
  165    HB2  HIS  78           HB2      HIS  78  -0.862   1.865  -2.444
  166    HB3  HIS  78           HB1      HIS  78  -1.169   1.198  -0.846
  167    HD1  HIS  78           HD1      HIS  78  -1.948   0.594  -4.487
  168    HD2  HIS  78           HD2      HIS  78  -2.473  -1.173  -0.761
  169    HE1  HIS  78           HE1      HIS  78  -2.632  -1.799  -4.928
  170    H    ILE  79           HN       ILE  79  -2.670   1.739   0.839
  171    HA   ILE  79           HA       ILE  79  -5.035   0.139   0.791
  172    HB   ILE  79           HB       ILE  79  -3.161   0.958   2.989
  173   HG12  ILE  79          HG12      ILE  79  -3.624  -1.580   1.419
  174   HG13  ILE  79          HG11      ILE  79  -2.235  -0.496   1.288
  175   HG21  ILE  79          HG21      ILE  79  -5.367   0.573   3.956
  176   HG22  ILE  79          HG22      ILE  79  -4.250  -0.723   4.384
  177   HG23  ILE  79          HG23      ILE  79  -5.464  -0.983   3.132
  178   HD11  ILE  79          HD11      ILE  79  -2.990  -2.110   3.694
  179   HD12  ILE  79          HD12      ILE  79  -1.585  -1.048   3.542
  180   HD13  ILE  79          HD13      ILE  79  -1.712  -2.499   2.534
  181    H    ARG  80           HN       ARG  80  -4.260   3.409   1.985
  182    HA   ARG  80           HA       ARG  80  -6.737   3.843   3.239
  183    HB2  ARG  80           HB2      ARG  80  -4.590   5.595   2.127
  184    HB3  ARG  80           HB1      ARG  80  -6.081   6.274   2.729
  185    HG2  ARG  80           HG2      ARG  80  -5.674   5.104   4.887
  186    HG3  ARG  80           HG1      ARG  80  -4.097   4.628   4.258
  187    HD2  ARG  80           HD2      ARG  80  -5.067   7.459   4.593
  188    HD3  ARG  80           HD1      ARG  80  -3.969   6.620   5.685
  189    HE   ARG  80           HE       ARG  80  -3.320   7.209   2.865
  190   HH11  ARG  80          HH11      ARG  80  -2.465   7.076   6.257
  191   HH12  ARG  80          HH12      ARG  80  -0.802   7.497   5.987
  192   HH21  ARG  80          HH21      ARG  80  -1.128   7.759   2.504
  193   HH22  ARG  80          HH22      ARG  80  -0.037   7.862   3.857
  194    H    HIS  81           HN       HIS  81  -5.924   3.507  -0.046
  195    HA   HIS  81           HA       HIS  81  -8.361   4.866  -0.917
  196    HB2  HIS  81           HB2      HIS  81  -6.060   3.627  -2.411
  197    HB3  HIS  81           HB1      HIS  81  -7.557   4.063  -3.226
  198    HD1  HIS  81           HD1      HIS  81  -4.502   5.335  -3.348
  199    HD2  HIS  81           HD2      HIS  81  -8.000   7.012  -1.838
  200    HE1  HIS  81           HE1      HIS  81  -4.150   7.827  -3.415
  201    HE2  HIS  81           HE2      HIS  81  -6.347   8.818  -2.671
  202    H    HIS  82           HN       HIS  82  -7.689   2.000   0.437
  203    HA   HIS  82           HA       HIS  82  -9.206   0.273  -1.307
  204    HB2  HIS  82           HB2      HIS  82  -7.633  -0.046   1.159
  205    HB3  HIS  82           HB1      HIS  82  -9.077  -1.044   1.106
  206    HD1  HIS  82           HD1      HIS  82  -9.033  -1.932  -1.885
  207    HD2  HIS  82           HD2      HIS  82  -5.726  -1.774   0.637
  208    HE1  HIS  82           HE1      HIS  82  -7.308  -3.550  -2.842
  209    H    ASP  83           HN       ASP  83 -11.008   1.896  -1.279
  210    HA   ASP  83           HA       ASP  83 -12.786   1.473   1.022
  211    HB2  ASP  83           HB2      ASP  83 -12.860   3.539  -1.190
  212    HB3  ASP  83           HB1      ASP  83 -14.150   3.328  -0.003
  Start of MODEL    5
    1    H1   LYS  58           HT1      LYS  58  10.729  -4.590  -2.894
    2    H2   LYS  58           HT2      LYS  58  11.711  -4.105  -1.604
    3    H3   LYS  58           HT3      LYS  58  11.750  -3.246  -3.063
    4    HA   LYS  58           HA       LYS  58  10.486  -1.937  -1.627
    5    HB2  LYS  58           HB2      LYS  58   8.555  -3.614  -3.255
    6    HB3  LYS  58           HB1      LYS  58   8.263  -1.985  -2.657
    7    HG2  LYS  58           HG2      LYS  58  10.007  -1.103  -4.070
    8    HG3  LYS  58           HG1      LYS  58  10.436  -2.730  -4.603
    9    HD2  LYS  58           HD2      LYS  58   8.231  -2.972  -5.632
   10    HD3  LYS  58           HD1      LYS  58   7.794  -1.351  -5.087
   11    HE2  LYS  58           HE2      LYS  58   8.454  -1.243  -7.401
   12    HE3  LYS  58           HE1      LYS  58   9.683  -0.448  -6.416
   13    HZ1  LYS  58           HZ1      LYS  58   9.822  -3.131  -7.680
   14    HZ2  LYS  58           HZ2      LYS  58  10.936  -2.607  -6.514
   15    HZ3  LYS  58           HZ3      LYS  58  10.808  -1.785  -7.990
   16    HA   PRO  59           HA       PRO  59   9.740  -4.579   1.853
   17    HB2  PRO  59           HB2      PRO  59   9.401  -2.124   3.396
   18    HB3  PRO  59           HB1      PRO  59  10.689  -3.333   3.483
   19    HG2  PRO  59           HG2      PRO  59  11.091  -0.837   2.511
   20    HG3  PRO  59           HG1      PRO  59  11.989  -2.252   1.929
   21    HD2  PRO  59           HD2      PRO  59   9.652  -0.848   0.688
   22    HD3  PRO  59           HD1      PRO  59  11.116  -1.495  -0.082
   23    H    TYR  60           HN       TYR  60   7.736  -1.653   1.514
   24    HA   TYR  60           HA       TYR  60   5.682  -2.736   3.182
   25    HB2  TYR  60           HB2      TYR  60   5.967  -0.227   1.560
   26    HB3  TYR  60           HB1      TYR  60   4.411  -0.668   2.260
   27    HD1  TYR  60           HD1      TYR  60   7.951   0.036   3.096
   28    HD2  TYR  60           HD2      TYR  60   3.955  -0.253   4.543
   29    HE1  TYR  60           HE1      TYR  60   8.654   1.050   5.219
   30    HE2  TYR  60           HE2      TYR  60   4.653   0.765   6.673
   31    HH   TYR  60           HH       TYR  60   6.717   1.047   8.004
   32    H    VAL  61           HN       VAL  61   4.446  -4.330   2.556
   33    HA   VAL  61           HA       VAL  61   3.361  -4.296  -0.176
   34    HB   VAL  61           HB       VAL  61   3.877  -6.744   1.524
   35   HG11  VAL  61          HG11      VAL  61   3.300  -7.997  -0.475
   36   HG12  VAL  61          HG12      VAL  61   3.021  -6.496  -1.356
   37   HG13  VAL  61          HG13      VAL  61   1.970  -6.937  -0.011
   38   HG21  VAL  61          HG21      VAL  61   5.646  -7.261  -0.103
   39   HG22  VAL  61          HG22      VAL  61   5.971  -5.775   0.791
   40   HG23  VAL  61          HG23      VAL  61   5.371  -5.694  -0.865
   41    H    CYS  62           HN       CYS  62   1.231  -4.222  -0.313
   42    HA   CYS  62           HA       CYS  62  -0.405  -4.028   2.008
   43    HB2  CYS  62           HB2      CYS  62  -1.096  -2.842   0.025
   44    HB3  CYS  62           HB1      CYS  62  -1.109  -4.325  -0.920
   45    H    GLU  63           HN       GLU  63  -0.713  -5.751   3.263
   46    HA   GLU  63           HA       GLU  63  -0.629  -8.433   2.399
   47    HB2  GLU  63           HB2      GLU  63  -2.311  -7.739   4.761
   48    HB3  GLU  63           HB1      GLU  63  -1.125  -9.019   4.575
   49    HG2  GLU  63           HG2      GLU  63  -0.103  -7.638   6.100
   50    HG3  GLU  63           HG1      GLU  63   0.597  -7.075   4.581
   51    H    ARG  64           HN       ARG  64  -3.051  -6.036   2.249
   52    HA   ARG  64           HA       ARG  64  -5.249  -7.871   2.322
   53    HB2  ARG  64           HB2      ARG  64  -5.239  -4.883   1.905
   54    HB3  ARG  64           HB1      ARG  64  -6.636  -5.885   2.284
   55    HG2  ARG  64           HG2      ARG  64  -5.351  -6.602   4.359
   56    HG3  ARG  64           HG1      ARG  64  -4.274  -5.257   4.015
   57    HD2  ARG  64           HD2      ARG  64  -6.043  -3.672   4.292
   58    HD3  ARG  64           HD1      ARG  64  -7.254  -4.961   4.391
   59    HE   ARG  64           HE       ARG  64  -5.433  -5.479   6.389
   60   HH11  ARG  64          HH11      ARG  64  -7.614  -2.835   5.621
   61   HH12  ARG  64          HH12      ARG  64  -7.797  -2.355   7.283
   62   HH21  ARG  64          HH21      ARG  64  -5.657  -4.835   8.542
   63   HH22  ARG  64          HH22      ARG  64  -6.688  -3.489   8.941
   64    H    CYS  65           HN       CYS  65  -3.466  -6.155  -0.266
   65    HA   CYS  65           HA       CYS  65  -5.065  -7.905  -2.000
   66    HB2  CYS  65           HB2      CYS  65  -5.524  -6.290  -3.671
   67    HB3  CYS  65           HB1      CYS  65  -6.060  -5.622  -2.133
   68    H    GLY  66           HN       GLY  66  -2.147  -7.389  -0.959
   69    HA2  GLY  66           HA2      GLY  66  -0.263  -8.531  -1.603
   70    HA3  GLY  66           HA1      GLY  66  -1.091  -9.004  -3.078
   71    H    LYS  67           HN       LYS  67  -1.349  -5.739  -3.078
   72    HA   LYS  67           HA       LYS  67   0.903  -5.518  -4.908
   73    HB2  LYS  67           HB2      LYS  67  -1.338  -3.603  -4.243
   74    HB3  LYS  67           HB1      LYS  67  -0.111  -3.329  -5.475
   75    HG2  LYS  67           HG2      LYS  67  -0.940  -5.010  -6.854
   76    HG3  LYS  67           HG1      LYS  67  -1.826  -5.781  -5.539
   77    HD2  LYS  67           HD2      LYS  67  -3.398  -3.962  -5.478
   78    HD3  LYS  67           HD1      LYS  67  -2.468  -3.071  -6.687
   79    HE2  LYS  67           HE2      LYS  67  -4.379  -4.120  -7.734
   80    HE3  LYS  67           HE1      LYS  67  -2.896  -4.868  -8.312
   81    HZ1  LYS  67           HZ1      LYS  67  -4.699  -5.989  -6.227
   82    HZ2  LYS  67           HZ2      LYS  67  -3.270  -6.707  -6.781
   83    HZ3  LYS  67           HZ3      LYS  67  -4.587  -6.519  -7.829
   84    H    ARG  68           HN       ARG  68   2.691  -4.215  -4.584
   85    HA   ARG  68           HA       ARG  68   2.924  -3.100  -1.888
   86    HB2  ARG  68           HB2      ARG  68   5.316  -3.796  -2.035
   87    HB3  ARG  68           HB1      ARG  68   4.145  -5.110  -1.922
   88    HG2  ARG  68           HG2      ARG  68   4.318  -5.434  -4.325
   89    HG3  ARG  68           HG1      ARG  68   5.505  -4.129  -4.399
   90    HD2  ARG  68           HD2      ARG  68   7.049  -5.373  -3.050
   91    HD3  ARG  68           HD1      ARG  68   5.838  -6.616  -2.733
   92    HE   ARG  68           HE       ARG  68   6.721  -6.142  -5.491
   93   HH11  ARG  68          HH11      ARG  68   6.564  -8.208  -2.670
   94   HH12  ARG  68          HH12      ARG  68   7.117  -9.628  -3.504
   95   HH21  ARG  68          HH21      ARG  68   7.455  -8.005  -6.602
   96   HH22  ARG  68          HH22      ARG  68   7.616  -9.512  -5.750
   97    H    PHE  69           HN       PHE  69   4.870  -1.658  -1.655
   98    HA   PHE  69           HA       PHE  69   5.447   0.038  -3.931
   99    HB2  PHE  69           HB2      PHE  69   3.786   0.914  -1.574
  100    HB3  PHE  69           HB1      PHE  69   4.749   2.068  -2.505
  101    HD1  PHE  69           HD1      PHE  69   4.242   2.442  -4.889
  102    HD2  PHE  69           HD2      PHE  69   1.725   0.079  -2.400
  103    HE1  PHE  69           HE1      PHE  69   2.436   2.625  -6.550
  104    HE2  PHE  69           HE2      PHE  69  -0.089   0.267  -4.056
  105    HZ   PHE  69           HZ       PHE  69   0.268   1.540  -6.136
  106    H    VAL  70           HN       VAL  70   7.181   1.350  -3.606
  107    HA   VAL  70           HA       VAL  70   9.158   0.419  -1.782
  108    HB   VAL  70           HB       VAL  70   9.375   3.082  -3.140
  109   HG11  VAL  70          HG11      VAL  70  11.182   2.316  -1.719
  110   HG12  VAL  70          HG12      VAL  70  11.700   2.413  -3.402
  111   HG13  VAL  70          HG13      VAL  70  11.330   0.846  -2.679
  112   HG21  VAL  70          HG21      VAL  70   8.427   1.739  -4.881
  113   HG22  VAL  70          HG22      VAL  70   9.565   0.433  -4.556
  114   HG23  VAL  70          HG23      VAL  70  10.145   1.967  -5.207
  115    H    GLN  71           HN       GLN  71   6.846   3.015  -1.882
  116    HA   GLN  71           HA       GLN  71   8.120   4.417   0.309
  117    HB2  GLN  71           HB2      GLN  71   5.668   5.295  -1.169
  118    HB3  GLN  71           HB1      GLN  71   6.959   6.251  -0.470
  119    HG2  GLN  71           HG2      GLN  71   8.479   5.512  -2.254
  120    HG3  GLN  71           HG1      GLN  71   7.151   4.601  -2.965
  121   HE21  GLN  71          HE21      GLN  71   7.256   5.757  -4.882
  122   HE22  GLN  71          HE22      GLN  71   6.694   7.390  -4.997
  123    H    SER  72           HN       SER  72   7.336   4.249   2.307
  124    HA   SER  72           HA       SER  72   5.213   2.630   3.090
  125    HB2  SER  72           HB2      SER  72   5.365   4.239   5.189
  126    HB3  SER  72           HB1      SER  72   6.678   3.121   4.818
  127    HG   SER  72           HG       SER  72   6.673   5.846   4.826
  128    H    SER  73           HN       SER  73   5.381   6.084   2.444
  129    HA   SER  73           HA       SER  73   2.761   6.746   3.169
  130    HB2  SER  73           HB2      SER  73   4.461   8.064   1.043
  131    HB3  SER  73           HB1      SER  73   3.159   8.805   1.978
  132    HG   SER  73           HG       SER  73   4.493   9.120   3.581
  133    H    GLN  74           HN       GLN  74   4.121   5.525   0.127
  134    HA   GLN  74           HA       GLN  74   1.754   6.089  -1.383
  135    HB2  GLN  74           HB2      GLN  74   4.080   5.935  -2.379
  136    HB3  GLN  74           HB1      GLN  74   3.992   4.195  -2.122
  137    HG2  GLN  74           HG2      GLN  74   3.437   4.630  -4.385
  138    HG3  GLN  74           HG1      GLN  74   1.967   4.145  -3.549
  139   HE21  GLN  74          HE21      GLN  74   2.272   5.618  -6.025
  140   HE22  GLN  74          HE22      GLN  74   1.453   7.128  -5.796
  141    H    LEU  75           HN       LEU  75   3.100   3.385   0.384
  142    HA   LEU  75           HA       LEU  75   1.239   1.461  -0.576
  143    HB2  LEU  75           HB2      LEU  75   3.542   1.110   0.567
  144    HB3  LEU  75           HB1      LEU  75   2.659   1.316   2.076
  145    HG   LEU  75           HG       LEU  75   3.032  -1.058   1.486
  146   HD11  LEU  75          HD11      LEU  75   1.115  -0.410   2.855
  147   HD12  LEU  75          HD12      LEU  75   0.777  -1.832   1.863
  148   HD13  LEU  75          HD13      LEU  75   0.144  -0.250   1.391
  149   HD21  LEU  75          HD21      LEU  75   1.777  -2.056  -0.358
  150   HD22  LEU  75          HD22      LEU  75   2.953  -0.875  -0.934
  151   HD23  LEU  75          HD23      LEU  75   1.242  -0.453  -0.859
  152    H    ALA  76           HN       ALA  76   1.387   3.619   2.232
  153    HA   ALA  76           HA       ALA  76  -1.121   2.631   3.266
  154    HB1  ALA  76           HB1      ALA  76   0.573   3.605   4.769
  155    HB2  ALA  76           HB2      ALA  76  -0.962   4.468   4.872
  156    HB3  ALA  76           HB3      ALA  76   0.383   5.165   3.970
  157    H    ASN  77           HN       ASN  77  -0.097   5.129   1.030
  158    HA   ASN  77           HA       ASN  77  -2.668   6.350   0.798
  159    HB2  ASN  77           HB2      ASN  77  -0.644   7.401  -0.133
  160    HB3  ASN  77           HB1      ASN  77  -0.467   6.066  -1.270
  161   HD21  ASN  77          HD21      ASN  77  -2.301   8.890  -0.417
  162   HD22  ASN  77          HD22      ASN  77  -3.115   9.062  -1.950
  163    H    HIS  78           HN       HIS  78  -1.069   3.612  -0.679
  164    HA   HIS  78           HA       HIS  78  -3.094   2.704  -2.376
  165    HB2  HIS  78           HB2      HIS  78  -0.884   1.774  -2.505
  166    HB3  HIS  78           HB1      HIS  78  -0.915   1.307  -0.815
  167    HD1  HIS  78           HD1      HIS  78  -1.918   0.143  -4.218
  168    HD2  HIS  78           HD2      HIS  78  -2.326  -0.988  -0.242
  169    HE1  HIS  78           HE1      HIS  78  -2.647  -2.273  -4.247
  170    H    ILE  79           HN       ILE  79  -2.516   2.167   1.082
  171    HA   ILE  79           HA       ILE  79  -4.691   0.386   1.472
  172    HB   ILE  79           HB       ILE  79  -3.320   2.168   3.501
  173   HG12  ILE  79          HG12      ILE  79  -1.725   0.724   2.367
  174   HG13  ILE  79          HG11      ILE  79  -1.985   0.145   4.016
  175   HG21  ILE  79          HG21      ILE  79  -5.451   1.325   4.284
  176   HG22  ILE  79          HG22      ILE  79  -4.129   0.516   5.125
  177   HG23  ILE  79          HG23      ILE  79  -4.988  -0.313   3.826
  178   HD11  ILE  79          HD11      ILE  79  -3.215  -0.971   1.515
  179   HD12  ILE  79          HD12      ILE  79  -3.492  -1.562   3.151
  180   HD13  ILE  79          HD13      ILE  79  -1.886  -1.680   2.430
  181    H    ARG  80           HN       ARG  80  -4.279   3.906   1.872
  182    HA   ARG  80           HA       ARG  80  -6.879   4.474   2.705
  183    HB2  ARG  80           HB2      ARG  80  -4.686   5.964   1.341
  184    HB3  ARG  80           HB1      ARG  80  -6.256   6.705   1.530
  185    HG2  ARG  80           HG2      ARG  80  -4.612   5.588   3.773
  186    HG3  ARG  80           HG1      ARG  80  -4.707   7.292   3.336
  187    HD2  ARG  80           HD2      ARG  80  -7.070   7.341   3.827
  188    HD3  ARG  80           HD1      ARG  80  -7.080   5.601   4.105
  189    HE   ARG  80           HE       ARG  80  -5.288   7.056   5.838
  190   HH11  ARG  80          HH11      ARG  80  -8.549   5.872   5.346
  191   HH12  ARG  80          HH12      ARG  80  -8.961   5.890   7.032
  192   HH21  ARG  80          HH21      ARG  80  -5.836   7.109   8.077
  193   HH22  ARG  80          HH22      ARG  80  -7.428   6.619   8.577
  194    H    HIS  81           HN       HIS  81  -5.634   3.562  -0.376
  195    HA   HIS  81           HA       HIS  81  -7.882   4.474  -1.907
  196    HB2  HIS  81           HB2      HIS  81  -5.490   3.916  -2.730
  197    HB3  HIS  81           HB1      HIS  81  -6.022   2.240  -2.705
  198    HD1  HIS  81           HD1      HIS  81  -6.591   1.514  -4.983
  199    HD2  HIS  81           HD2      HIS  81  -7.646   5.481  -4.323
  200    HE1  HIS  81           HE1      HIS  81  -7.599   2.313  -7.141
  201    HE2  HIS  81           HE2      HIS  81  -8.116   4.755  -6.764
  202    H    HIS  82           HN       HIS  82  -7.456   2.080   0.358
  203    HA   HIS  82           HA       HIS  82  -9.443   0.231  -0.718
  204    HB2  HIS  82           HB2      HIS  82  -7.578   0.229   1.617
  205    HB3  HIS  82           HB1      HIS  82  -9.001  -0.789   1.692
  206    HD1  HIS  82           HD1      HIS  82  -8.979  -1.838  -1.264
  207    HD2  HIS  82           HD2      HIS  82  -5.683  -1.592   1.270
  208    HE1  HIS  82           HE1      HIS  82  -7.300  -3.554  -2.095
  209    H    ASP  83           HN       ASP  83  -9.662   3.140   0.577
  210    HA   ASP  83           HA       ASP  83 -11.426   2.819   2.778
  211    HB2  ASP  83           HB2      ASP  83 -10.097   4.894   2.231
  212    HB3  ASP  83           HB1      ASP  83 -11.251   5.207   0.928
  Start of MODEL    6
    1    H1   LYS  58           HT1      LYS  58  10.617  -3.794  -0.629
    2    H2   LYS  58           HT2      LYS  58  11.778  -4.587   0.313
    3    H3   LYS  58           HT3      LYS  58  12.192  -3.167  -0.518
    4    HA   LYS  58           HA       LYS  58  11.881  -2.754   1.840
    5    HB2  LYS  58           HB2      LYS  58   9.670  -1.566   0.138
    6    HB3  LYS  58           HB1      LYS  58  10.319  -0.882   1.623
    7    HG2  LYS  58           HG2      LYS  58  11.827  -1.256  -0.955
    8    HG3  LYS  58           HG1      LYS  58  11.186   0.265  -0.335
    9    HD2  LYS  58           HD2      LYS  58  12.675   0.207   1.537
   10    HD3  LYS  58           HD1      LYS  58  13.204  -1.426   1.131
   11    HE2  LYS  58           HE2      LYS  58  14.150  -0.569  -0.975
   12    HE3  LYS  58           HE1      LYS  58  13.660   1.061  -0.515
   13    HZ1  LYS  58           HZ1      LYS  58  16.031   0.487  -0.053
   14    HZ2  LYS  58           HZ2      LYS  58  15.487  -0.608   1.125
   15    HZ3  LYS  58           HZ3      LYS  58  15.167   1.049   1.290
   16    HA   PRO  59           HA       PRO  59   8.760  -5.136   3.858
   17    HB2  PRO  59           HB2      PRO  59   8.621  -3.893   6.226
   18    HB3  PRO  59           HB1      PRO  59  10.064  -4.791   5.730
   19    HG2  PRO  59           HG2      PRO  59   9.539  -1.849   5.611
   20    HG3  PRO  59           HG1      PRO  59  10.981  -2.694   6.206
   21    HD2  PRO  59           HD2      PRO  59  10.839  -1.605   3.723
   22    HD3  PRO  59           HD1      PRO  59  11.791  -3.061   4.076
   23    H    TYR  60           HN       TYR  60   7.560  -3.500   2.014
   24    HA   TYR  60           HA       TYR  60   5.222  -2.505   3.458
   25    HB2  TYR  60           HB2      TYR  60   6.877  -0.935   1.483
   26    HB3  TYR  60           HB1      TYR  60   5.216  -0.508   1.878
   27    HD1  TYR  60           HD2      TYR  60   4.650   0.060   4.281
   28    HD2  TYR  60           HD1      TYR  60   8.638  -0.324   2.866
   29    HE1  TYR  60           HE2      TYR  60   5.452   1.328   6.230
   30    HE2  TYR  60           HE1      TYR  60   9.457   0.948   4.806
   31    HH   TYR  60           HH       TYR  60   8.717   2.469   6.453
   32    H    VAL  61           HN       VAL  61   4.123  -4.326   2.701
   33    HA   VAL  61           HA       VAL  61   3.344  -4.122  -0.121
   34    HB   VAL  61           HB       VAL  61   3.469  -6.689   1.476
   35   HG11  VAL  61          HG11      VAL  61   3.004  -6.198  -1.464
   36   HG12  VAL  61          HG12      VAL  61   1.765  -6.633  -0.280
   37   HG13  VAL  61          HG13      VAL  61   3.055  -7.771  -0.663
   38   HG21  VAL  61          HG21      VAL  61   5.717  -5.843   1.028
   39   HG22  VAL  61          HG22      VAL  61   5.321  -5.712  -0.684
   40   HG23  VAL  61          HG23      VAL  61   5.377  -7.297   0.089
   41    H    CYS  62           HN       CYS  62   1.182  -4.199  -0.510
   42    HA   CYS  62           HA       CYS  62  -0.636  -3.869   1.685
   43    HB2  CYS  62           HB2      CYS  62  -1.034  -2.809  -0.522
   44    HB3  CYS  62           HB1      CYS  62  -1.211  -4.392  -1.243
   45    H    GLU  63           HN       GLU  63  -0.446  -5.772   2.921
   46    HA   GLU  63           HA       GLU  63  -0.604  -8.383   1.929
   47    HB2  GLU  63           HB2      GLU  63  -1.534  -7.280   4.588
   48    HB3  GLU  63           HB1      GLU  63  -1.355  -8.992   4.222
   49    HG2  GLU  63           HG2      GLU  63   0.895  -7.002   4.086
   50    HG3  GLU  63           HG1      GLU  63   0.527  -7.983   5.504
   51    H    ARG  64           HN       ARG  64  -2.934  -5.924   2.264
   52    HA   ARG  64           HA       ARG  64  -5.266  -7.477   2.377
   53    HB2  ARG  64           HB2      ARG  64  -4.909  -4.664   1.353
   54    HB3  ARG  64           HB1      ARG  64  -6.428  -5.411   1.821
   55    HG2  ARG  64           HG2      ARG  64  -5.496  -5.716   4.107
   56    HG3  ARG  64           HG1      ARG  64  -4.092  -4.782   3.603
   57    HD2  ARG  64           HD2      ARG  64  -5.668  -3.371   4.785
   58    HD3  ARG  64           HD1      ARG  64  -5.544  -2.876   3.093
   59    HE   ARG  64           HE       ARG  64  -7.654  -4.496   2.991
   60   HH11  ARG  64          HH11      ARG  64  -6.889  -1.986   5.320
   61   HH12  ARG  64          HH12      ARG  64  -8.550  -1.562   5.605
   62   HH21  ARG  64          HH21      ARG  64  -9.829  -3.948   3.351
   63   HH22  ARG  64          HH22      ARG  64 -10.237  -2.686   4.476
   64    H    CYS  65           HN       CYS  65  -3.467  -6.152  -0.512
   65    HA   CYS  65           HA       CYS  65  -5.158  -8.072  -2.003
   66    HB2  CYS  65           HB2      CYS  65  -5.551  -6.604  -3.817
   67    HB3  CYS  65           HB1      CYS  65  -5.962  -5.721  -2.345
   68    H    GLY  66           HN       GLY  66  -2.066  -7.167  -1.251
   69    HA2  GLY  66           HA2      GLY  66  -0.292  -8.630  -1.899
   70    HA3  GLY  66           HA1      GLY  66  -1.066  -8.824  -3.468
   71    H    LYS  67           HN       LYS  67  -1.462  -5.765  -3.496
   72    HA   LYS  67           HA       LYS  67   0.859  -5.290  -5.079
   73    HB2  LYS  67           HB2      LYS  67  -1.386  -3.521  -4.143
   74    HB3  LYS  67           HB1      LYS  67  -0.062  -2.910  -5.126
   75    HG2  LYS  67           HG2      LYS  67  -0.656  -4.275  -6.954
   76    HG3  LYS  67           HG1      LYS  67  -1.747  -5.248  -5.966
   77    HD2  LYS  67           HD2      LYS  67  -3.289  -3.469  -5.769
   78    HD3  LYS  67           HD1      LYS  67  -2.150  -2.310  -6.458
   79    HE2  LYS  67           HE2      LYS  67  -3.808  -2.901  -8.112
   80    HE3  LYS  67           HE1      LYS  67  -2.239  -3.541  -8.593
   81    HZ1  LYS  67           HZ1      LYS  67  -4.470  -5.069  -7.360
   82    HZ2  LYS  67           HZ2      LYS  67  -2.929  -5.705  -7.675
   83    HZ3  LYS  67           HZ3      LYS  67  -3.911  -5.192  -8.957
   84    H    ARG  68           HN       ARG  68   2.807  -4.715  -4.458
   85    HA   ARG  68           HA       ARG  68   3.182  -3.635  -1.772
   86    HB2  ARG  68           HB2      ARG  68   5.550  -4.219  -2.139
   87    HB3  ARG  68           HB1      ARG  68   4.470  -5.599  -2.277
   88    HG2  ARG  68           HG2      ARG  68   4.565  -5.437  -4.678
   89    HG3  ARG  68           HG1      ARG  68   5.621  -4.026  -4.546
   90    HD2  ARG  68           HD2      ARG  68   6.948  -5.996  -5.018
   91    HD3  ARG  68           HD1      ARG  68   7.286  -5.432  -3.382
   92    HE   ARG  68           HE       ARG  68   5.249  -7.356  -3.264
   93   HH11  ARG  68          HH11      ARG  68   8.655  -7.148  -4.048
   94   HH12  ARG  68          HH12      ARG  68   8.998  -8.782  -3.554
   95   HH21  ARG  68          HH21      ARG  68   5.697  -9.479  -2.560
   96   HH22  ARG  68          HH22      ARG  68   7.317 -10.102  -2.670
   97    H    PHE  69           HN       PHE  69   4.890  -2.014  -1.463
   98    HA   PHE  69           HA       PHE  69   5.324  -0.135  -3.625
   99    HB2  PHE  69           HB2      PHE  69   3.676   0.518  -1.181
  100    HB3  PHE  69           HB1      PHE  69   4.466   1.754  -2.165
  101    HD1  PHE  69           HD1      PHE  69   3.751   2.128  -4.492
  102    HD2  PHE  69           HD2      PHE  69   1.709  -0.573  -1.918
  103    HE1  PHE  69           HE1      PHE  69   1.803   2.177  -5.991
  104    HE2  PHE  69           HE2      PHE  69  -0.243  -0.535  -3.414
  105    HZ   PHE  69           HZ       PHE  69  -0.131   0.779  -5.542
  106    H    VAL  70           HN       VAL  70   7.065   1.086  -3.318
  107    HA   VAL  70           HA       VAL  70   8.950   0.174  -1.398
  108    HB   VAL  70           HB       VAL  70   9.048   2.277  -3.566
  109   HG11  VAL  70          HG11      VAL  70  11.297   1.174  -1.916
  110   HG12  VAL  70          HG12      VAL  70  10.613   2.792  -1.791
  111   HG13  VAL  70          HG13      VAL  70  11.443   2.299  -3.266
  112   HG21  VAL  70          HG21      VAL  70  10.413   0.622  -4.752
  113   HG22  VAL  70          HG22      VAL  70   8.796   0.012  -4.399
  114   HG23  VAL  70          HG23      VAL  70  10.170  -0.518  -3.427
  115    H    GLN  71           HN       GLN  71   6.885   2.967  -1.877
  116    HA   GLN  71           HA       GLN  71   8.162   4.422   0.280
  117    HB2  GLN  71           HB2      GLN  71   5.850   5.180  -1.508
  118    HB3  GLN  71           HB1      GLN  71   6.844   6.239  -0.533
  119    HG2  GLN  71           HG2      GLN  71   8.789   5.639  -1.938
  120    HG3  GLN  71           HG1      GLN  71   7.696   4.721  -2.968
  121   HE21  GLN  71          HE21      GLN  71   8.684   7.878  -1.936
  122   HE22  GLN  71          HE22      GLN  71   7.867   8.772  -3.183
  123    H    SER  72           HN       SER  72   7.319   4.431   2.273
  124    HA   SER  72           HA       SER  72   5.116   2.891   3.063
  125    HB2  SER  72           HB2      SER  72   6.915   3.668   4.607
  126    HB3  SER  72           HB1      SER  72   6.277   5.306   4.489
  127    HG   SER  72           HG       SER  72   5.595   3.818   6.323
  128    H    SER  73           HN       SER  73   5.434   6.308   2.272
  129    HA   SER  73           HA       SER  73   2.833   7.149   2.835
  130    HB2  SER  73           HB2      SER  73   4.558   8.764   2.368
  131    HB3  SER  73           HB1      SER  73   4.834   8.090   0.765
  132    HG   SER  73           HG       SER  73   3.444   9.505   0.121
  133    H    GLN  74           HN       GLN  74   4.196   5.678  -0.093
  134    HA   GLN  74           HA       GLN  74   1.888   6.121  -1.695
  135    HB2  GLN  74           HB2      GLN  74   4.345   5.716  -2.437
  136    HB3  GLN  74           HB1      GLN  74   3.970   4.006  -2.219
  137    HG2  GLN  74           HG2      GLN  74   3.712   4.625  -4.530
  138    HG3  GLN  74           HG1      GLN  74   2.143   4.214  -3.835
  139   HE21  GLN  74          HE21      GLN  74   4.168   6.767  -5.032
  140   HE22  GLN  74          HE22      GLN  74   2.927   7.962  -5.188
  141    H    LEU  75           HN       LEU  75   3.208   3.469   0.188
  142    HA   LEU  75           HA       LEU  75   1.281   1.532  -0.467
  143    HB2  LEU  75           HB2      LEU  75   3.327   0.897   0.674
  144    HB3  LEU  75           HB1      LEU  75   2.927   1.937   2.044
  145    HG   LEU  75           HG       LEU  75   0.919   0.500   2.447
  146   HD11  LEU  75          HD11      LEU  75   0.768  -0.345   0.182
  147   HD12  LEU  75          HD12      LEU  75   0.818  -1.651   1.370
  148   HD13  LEU  75          HD13      LEU  75   2.253  -1.264   0.427
  149   HD21  LEU  75          HD21      LEU  75   3.592  -0.882   2.541
  150   HD22  LEU  75          HD22      LEU  75   2.155  -1.370   3.436
  151   HD23  LEU  75          HD23      LEU  75   2.921   0.182   3.777
  152    H    ALA  76           HN       ALA  76   1.549   3.526   2.404
  153    HA   ALA  76           HA       ALA  76  -0.928   3.020   3.509
  154    HB1  ALA  76           HB1      ALA  76  -0.704   5.150   4.694
  155    HB2  ALA  76           HB2      ALA  76   0.593   5.632   3.597
  156    HB3  ALA  76           HB3      ALA  76   0.819   4.264   4.686
  157    H    ASN  77           HN       ASN  77  -0.042   5.421   1.028
  158    HA   ASN  77           HA       ASN  77  -2.551   6.619   0.725
  159    HB2  ASN  77           HB2      ASN  77  -0.599   7.421  -0.499
  160    HB3  ASN  77           HB1      ASN  77  -0.512   5.916  -1.408
  161   HD21  ASN  77          HD21      ASN  77  -2.124   8.952  -1.024
  162   HD22  ASN  77          HD22      ASN  77  -3.060   8.874  -2.491
  163    H    HIS  78           HN       HIS  78  -1.254   3.685  -0.768
  164    HA   HIS  78           HA       HIS  78  -3.498   3.115  -2.382
  165    HB2  HIS  78           HB2      HIS  78  -1.337   2.157  -2.861
  166    HB3  HIS  78           HB1      HIS  78  -1.269   1.392  -1.277
  167    HD1  HIS  78           HD1      HIS  78  -2.978   1.059  -4.639
  168    HD2  HIS  78           HD2      HIS  78  -2.435  -1.031  -1.092
  169    HE1  HIS  78           HE1      HIS  78  -3.803  -1.284  -5.069
  170    H    ILE  79           HN       ILE  79  -2.519   1.982   0.826
  171    HA   ILE  79           HA       ILE  79  -4.692   0.147   1.034
  172    HB   ILE  79           HB       ILE  79  -2.657   1.080   3.040
  173   HG12  ILE  79          HG12      ILE  79  -2.942  -1.411   1.345
  174   HG13  ILE  79          HG11      ILE  79  -1.742  -0.132   1.138
  175   HG21  ILE  79          HG21      ILE  79  -4.596  -1.218   3.253
  176   HG22  ILE  79          HG22      ILE  79  -4.708   0.298   4.151
  177   HG23  ILE  79          HG23      ILE  79  -3.344  -0.788   4.420
  178   HD11  ILE  79          HD11      ILE  79  -1.967  -1.935   3.526
  179   HD12  ILE  79          HD12      ILE  79  -0.728  -0.707   3.244
  180   HD13  ILE  79          HD13      ILE  79  -0.825  -2.127   2.194
  181    H    ARG  80           HN       ARG  80  -4.159   3.483   2.060
  182    HA   ARG  80           HA       ARG  80  -6.191   3.599   3.968
  183    HB2  ARG  80           HB2      ARG  80  -5.705   5.813   4.041
  184    HB3  ARG  80           HB1      ARG  80  -4.281   5.267   3.203
  185    HG2  ARG  80           HG2      ARG  80  -4.818   7.047   1.910
  186    HG3  ARG  80           HG1      ARG  80  -5.740   5.798   1.077
  187    HD2  ARG  80           HD2      ARG  80  -7.736   6.447   2.367
  188    HD3  ARG  80           HD1      ARG  80  -6.803   7.730   3.136
  189    HE   ARG  80           HE       ARG  80  -6.482   8.489   0.677
  190   HH11  ARG  80          HH11      ARG  80  -9.351   6.971   1.986
  191   HH12  ARG  80          HH12      ARG  80 -10.452   7.836   0.958
  192   HH21  ARG  80          HH21      ARG  80  -7.914   9.620  -0.707
  193   HH22  ARG  80          HH22      ARG  80  -9.628   9.342  -0.591
  194    H    HIS  81           HN       HIS  81  -6.315   3.383   0.546
  195    HA   HIS  81           HA       HIS  81  -9.068   4.321   0.413
  196    HB2  HIS  81           HB2      HIS  81  -7.473   4.858  -1.414
  197    HB3  HIS  81           HB1      HIS  81  -7.326   3.140  -1.764
  198    HD1  HIS  81           HD1      HIS  81  -8.425   2.907  -3.971
  199    HD2  HIS  81           HD2      HIS  81 -10.687   5.181  -1.323
  200    HE1  HIS  81           HE1      HIS  81 -10.601   3.358  -5.151
  201    HE2  HIS  81           HE2      HIS  81 -12.034   4.520  -3.429
  202    H    HIS  82           HN       HIS  82  -7.458   1.489   1.169
  203    HA   HIS  82           HA       HIS  82  -9.384  -0.379   0.150
  204    HB2  HIS  82           HB2      HIS  82  -6.984  -0.515   1.879
  205    HB3  HIS  82           HB1      HIS  82  -8.208  -1.740   2.173
  206    HD1  HIS  82           HD1      HIS  82  -8.277  -3.700   0.578
  207    HD2  HIS  82           HD2      HIS  82  -5.864  -0.576  -0.736
  208    HE1  HIS  82           HE1      HIS  82  -6.960  -4.587  -1.395
  209    H    ASP  83           HN       ASP  83  -8.906   1.473   2.976
  210    HA   ASP  83           HA       ASP  83 -10.875   0.105   4.563
  211    HB2  ASP  83           HB2      ASP  83  -9.289   2.640   4.997
  212    HB3  ASP  83           HB1      ASP  83 -10.499   2.062   6.145
  Start of MODEL    7
    1    H1   LYS  58           HT1      LYS  58  11.596  -5.116  -2.113
    2    H2   LYS  58           HT2      LYS  58   9.903  -5.091  -2.094
    3    H3   LYS  58           HT3      LYS  58  10.740  -6.267  -1.212
    4    HA   LYS  58           HA       LYS  58  11.701  -4.533   0.189
    5    HB2  LYS  58           HB2      LYS  58   9.719  -2.735  -1.232
    6    HB3  LYS  58           HB1      LYS  58  10.827  -2.270   0.054
    7    HG2  LYS  58           HG2      LYS  58  12.725  -2.736  -1.424
    8    HG3  LYS  58           HG1      LYS  58  11.607  -3.180  -2.712
    9    HD2  LYS  58           HD2      LYS  58  12.293  -0.944  -3.128
   10    HD3  LYS  58           HD1      LYS  58  10.638  -0.868  -2.522
   11    HE2  LYS  58           HE2      LYS  58  12.034   0.859  -1.509
   12    HE3  LYS  58           HE1      LYS  58  11.461  -0.294  -0.305
   13    HZ1  LYS  58           HZ1      LYS  58  13.569  -1.302  -0.188
   14    HZ2  LYS  58           HZ2      LYS  58  13.867   0.365  -0.148
   15    HZ3  LYS  58           HZ3      LYS  58  14.128  -0.509  -1.578
   16    HA   PRO  59           HA       PRO  59   8.749  -6.178   2.857
   17    HB2  PRO  59           HB2      PRO  59   9.105  -3.838   4.640
   18    HB3  PRO  59           HB1      PRO  59   9.403  -5.555   4.952
   19    HG2  PRO  59           HG2      PRO  59  11.429  -3.858   4.605
   20    HG3  PRO  59           HG1      PRO  59  11.495  -5.504   3.947
   21    HD2  PRO  59           HD2      PRO  59  10.910  -2.922   2.548
   22    HD3  PRO  59           HD1      PRO  59  11.902  -4.292   2.009
   23    H    TYR  60           HN       TYR  60   8.198  -2.974   1.718
   24    HA   TYR  60           HA       TYR  60   5.656  -2.701   3.044
   25    HB2  TYR  60           HB2      TYR  60   7.101  -0.958   1.055
   26    HB3  TYR  60           HB1      TYR  60   5.507  -0.574   1.707
   27    HD1  TYR  60           HD2      TYR  60   5.255  -0.261   4.201
   28    HD2  TYR  60           HD1      TYR  60   9.039  -0.513   2.279
   29    HE1  TYR  60           HE2      TYR  60   6.307   0.799   6.156
   30    HE2  TYR  60           HE1      TYR  60  10.105   0.556   4.228
   31    HH   TYR  60           HH       TYR  60   9.333   2.142   6.115
   32    H    VAL  61           HN       VAL  61   4.505  -4.414   2.312
   33    HA   VAL  61           HA       VAL  61   3.527  -4.193  -0.449
   34    HB   VAL  61           HB       VAL  61   4.692  -6.309  -0.133
   35   HG11  VAL  61          HG11      VAL  61   2.843  -6.712   2.207
   36   HG12  VAL  61          HG12      VAL  61   4.592  -6.490   2.267
   37   HG13  VAL  61          HG13      VAL  61   3.912  -7.946   1.538
   38   HG21  VAL  61          HG21      VAL  61   2.879  -7.884  -0.642
   39   HG22  VAL  61          HG22      VAL  61   2.708  -6.366  -1.525
   40   HG23  VAL  61          HG23      VAL  61   1.706  -6.680  -0.109
   41    H    CYS  62           HN       CYS  62   1.287  -4.108  -0.711
   42    HA   CYS  62           HA       CYS  62  -0.307  -3.317   1.473
   43    HB2  CYS  62           HB2      CYS  62  -1.080  -2.629  -0.664
   44    HB3  CYS  62           HB1      CYS  62  -1.045  -4.277  -1.293
   45    H    GLU  63           HN       GLU  63  -0.632  -4.593   3.126
   46    HA   GLU  63           HA       GLU  63  -0.647  -7.368   3.196
   47    HB2  GLU  63           HB2      GLU  63  -1.852  -7.053   5.375
   48    HB3  GLU  63           HB1      GLU  63  -0.385  -6.098   5.209
   49    HG2  GLU  63           HG2      GLU  63  -1.720  -4.134   4.642
   50    HG3  GLU  63           HG1      GLU  63  -3.192  -5.091   4.791
   51    H    ARG  64           HN       ARG  64  -3.070  -5.192   2.110
   52    HA   ARG  64           HA       ARG  64  -5.255  -6.978   2.620
   53    HB2  ARG  64           HB2      ARG  64  -5.195  -4.320   1.206
   54    HB3  ARG  64           HB1      ARG  64  -6.636  -5.202   1.685
   55    HG2  ARG  64           HG2      ARG  64  -5.611  -5.090   4.057
   56    HG3  ARG  64           HG1      ARG  64  -4.644  -3.782   3.385
   57    HD2  ARG  64           HD2      ARG  64  -6.623  -2.561   2.767
   58    HD3  ARG  64           HD1      ARG  64  -7.653  -3.904   3.282
   59    HE   ARG  64           HE       ARG  64  -5.967  -2.904   5.386
   60   HH11  ARG  64          HH11      ARG  64  -9.029  -2.498   3.716
   61   HH12  ARG  64          HH12      ARG  64  -9.765  -1.639   5.037
   62   HH21  ARG  64          HH21      ARG  64  -6.948  -1.783   7.109
   63   HH22  ARG  64          HH22      ARG  64  -8.592  -1.229   6.957
   64    H    CYS  65           HN       CYS  65  -3.544  -5.798  -0.363
   65    HA   CYS  65           HA       CYS  65  -4.991  -8.005  -1.675
   66    HB2  CYS  65           HB2      CYS  65  -5.494  -6.737  -3.630
   67    HB3  CYS  65           HB1      CYS  65  -6.078  -5.842  -2.225
   68    H    GLY  66           HN       GLY  66  -2.041  -6.999  -0.849
   69    HA2  GLY  66           HA2      GLY  66  -0.163  -8.316  -1.269
   70    HA3  GLY  66           HA1      GLY  66  -0.956  -8.947  -2.710
   71    H    LYS  67           HN       LYS  67  -1.299  -5.736  -3.123
   72    HA   LYS  67           HA       LYS  67   0.908  -5.681  -4.972
   73    HB2  LYS  67           HB2      LYS  67  -1.185  -3.610  -4.313
   74    HB3  LYS  67           HB1      LYS  67  -0.039  -3.502  -5.647
   75    HG2  LYS  67           HG2      LYS  67  -0.993  -5.374  -6.739
   76    HG3  LYS  67           HG1      LYS  67  -1.960  -5.789  -5.323
   77    HD2  LYS  67           HD2      LYS  67  -3.384  -4.764  -6.946
   78    HD3  LYS  67           HD1      LYS  67  -3.163  -3.645  -5.599
   79    HE2  LYS  67           HE2      LYS  67  -3.033  -2.537  -7.803
   80    HE3  LYS  67           HE1      LYS  67  -1.555  -2.372  -6.862
   81    HZ1  LYS  67           HZ1      LYS  67  -1.491  -4.687  -8.523
   82    HZ2  LYS  67           HZ2      LYS  67  -0.397  -3.392  -8.432
   83    HZ3  LYS  67           HZ3      LYS  67  -1.762  -3.282  -9.433
   84    H    ARG  68           HN       ARG  68   2.847  -4.942  -4.628
   85    HA   ARG  68           HA       ARG  68   3.584  -3.822  -2.103
   86    HB2  ARG  68           HB2      ARG  68   5.134  -4.541  -4.582
   87    HB3  ARG  68           HB1      ARG  68   5.871  -3.996  -3.076
   88    HG2  ARG  68           HG2      ARG  68   5.156  -5.885  -1.919
   89    HG3  ARG  68           HG1      ARG  68   4.041  -6.349  -3.201
   90    HD2  ARG  68           HD2      ARG  68   7.028  -6.254  -3.570
   91    HD3  ARG  68           HD1      ARG  68   6.159  -7.707  -3.077
   92    HE   ARG  68           HE       ARG  68   5.498  -6.324  -5.593
   93   HH11  ARG  68          HH11      ARG  68   6.468  -9.207  -3.853
   94   HH12  ARG  68          HH12      ARG  68   6.263 -10.255  -5.229
   95   HH21  ARG  68          HH21      ARG  68   5.202  -7.692  -7.394
   96   HH22  ARG  68          HH22      ARG  68   5.524  -9.398  -7.236
   97    H    PHE  69           HN       PHE  69   4.962  -2.051  -1.826
   98    HA   PHE  69           HA       PHE  69   5.107   0.027  -3.849
   99    HB2  PHE  69           HB2      PHE  69   3.480   0.248  -1.374
  100    HB3  PHE  69           HB1      PHE  69   4.447   1.649  -1.846
  101    HD1  PHE  69           HD2      PHE  69   1.636  -0.510  -2.721
  102    HD2  PHE  69           HD1      PHE  69   3.942   2.880  -3.863
  103    HE1  PHE  69           HE2      PHE  69  -0.121   0.147  -4.312
  104    HE2  PHE  69           HE1      PHE  69   2.188   3.542  -5.453
  105    HZ   PHE  69           HZ       PHE  69   0.222   2.158  -5.760
  106    H    VAL  70           HN       VAL  70   6.743   1.384  -3.569
  107    HA   VAL  70           HA       VAL  70   8.950   0.377  -2.111
  108    HB   VAL  70           HB       VAL  70   8.530   2.752  -3.922
  109   HG11  VAL  70          HG11      VAL  70  10.232   3.331  -2.315
  110   HG12  VAL  70          HG12      VAL  70  10.940   3.072  -3.908
  111   HG13  VAL  70          HG13      VAL  70  11.094   1.836  -2.659
  112   HG21  VAL  70          HG21      VAL  70   9.936   1.470  -5.466
  113   HG22  VAL  70          HG22      VAL  70   8.485   0.576  -5.010
  114   HG23  VAL  70          HG23      VAL  70  10.039   0.165  -4.284
  115    H    GLN  71           HN       GLN  71   6.667   3.031  -1.769
  116    HA   GLN  71           HA       GLN  71   8.179   4.047   0.501
  117    HB2  GLN  71           HB2      GLN  71   6.063   5.317  -1.231
  118    HB3  GLN  71           HB1      GLN  71   6.909   6.089   0.091
  119    HG2  GLN  71           HG2      GLN  71   9.017   5.327  -1.309
  120    HG3  GLN  71           HG1      GLN  71   7.847   5.422  -2.618
  121   HE21  GLN  71          HE21      GLN  71   7.727   7.482   0.196
  122   HE22  GLN  71          HE22      GLN  71   8.135   8.951  -0.625
  123    H    SER  72           HN       SER  72   7.247   4.276   2.441
  124    HA   SER  72           HA       SER  72   5.100   2.583   3.168
  125    HB2  SER  72           HB2      SER  72   6.931   3.214   4.707
  126    HB3  SER  72           HB1      SER  72   6.359   4.880   4.694
  127    HG   SER  72           HG       SER  72   5.681   3.269   6.453
  128    H    SER  73           HN       SER  73   5.390   6.016   2.514
  129    HA   SER  73           HA       SER  73   2.827   6.822   3.319
  130    HB2  SER  73           HB2      SER  73   3.277   8.682   1.594
  131    HB3  SER  73           HB1      SER  73   4.415   8.521   2.935
  132    HG   SER  73           HG       SER  73   5.475   8.732   0.906
  133    H    GLN  74           HN       GLN  74   4.073   5.688   0.193
  134    HA   GLN  74           HA       GLN  74   1.605   6.068  -1.182
  135    HB2  GLN  74           HB2      GLN  74   4.071   4.485  -1.938
  136    HB3  GLN  74           HB1      GLN  74   2.720   4.827  -3.020
  137    HG2  GLN  74           HG2      GLN  74   3.173   7.208  -2.850
  138    HG3  GLN  74           HG1      GLN  74   4.495   6.884  -1.728
  139   HE21  GLN  74          HE21      GLN  74   4.510   8.194  -4.345
  140   HE22  GLN  74          HE22      GLN  74   5.652   7.314  -5.297
  141    H    LEU  75           HN       LEU  75   3.130   3.522   0.587
  142    HA   LEU  75           HA       LEU  75   1.501   1.379  -0.168
  143    HB2  LEU  75           HB2      LEU  75   3.439   0.872   1.089
  144    HB3  LEU  75           HB1      LEU  75   3.039   2.056   2.331
  145    HG   LEU  75           HG       LEU  75   1.155   0.616   3.049
  146   HD11  LEU  75          HD11      LEU  75   0.991  -1.637   2.207
  147   HD12  LEU  75          HD12      LEU  75   2.327  -1.336   1.096
  148   HD13  LEU  75          HD13      LEU  75   0.800  -0.468   0.896
  149   HD21  LEU  75          HD21      LEU  75   3.827  -0.774   2.993
  150   HD22  LEU  75          HD22      LEU  75   2.508  -1.092   4.121
  151   HD23  LEU  75          HD23      LEU  75   3.336   0.465   4.151
  152    H    ALA  76           HN       ALA  76   1.237   3.417   2.717
  153    HA   ALA  76           HA       ALA  76  -1.402   2.556   3.285
  154    HB1  ALA  76           HB1      ALA  76   0.053   3.553   5.000
  155    HB2  ALA  76           HB2      ALA  76  -1.481   4.414   4.876
  156    HB3  ALA  76           HB3      ALA  76  -0.023   5.106   4.165
  157    H    ASN  77           HN       ASN  77  -0.102   5.065   1.180
  158    HA   ASN  77           HA       ASN  77  -2.530   6.400   0.638
  159    HB2  ASN  77           HB2      ASN  77  -0.425   7.242  -0.262
  160    HB3  ASN  77           HB1      ASN  77  -0.203   5.775  -1.205
  161   HD21  ASN  77          HD21      ASN  77  -1.988   8.742  -0.893
  162   HD22  ASN  77          HD22      ASN  77  -2.632   8.758  -2.512
  163    H    HIS  78           HN       HIS  78  -1.064   3.485  -0.693
  164    HA   HIS  78           HA       HIS  78  -3.101   2.766  -2.494
  165    HB2  HIS  78           HB2      HIS  78  -0.904   1.778  -2.561
  166    HB3  HIS  78           HB1      HIS  78  -1.069   1.174  -0.919
  167    HD1  HIS  78           HD1      HIS  78  -1.926   0.388  -4.457
  168    HD2  HIS  78           HD2      HIS  78  -2.560  -1.099  -0.641
  169    HE1  HIS  78           HE1      HIS  78  -2.685  -2.003  -4.760
  170    H    ILE  79           HN       ILE  79  -2.605   2.040   0.935
  171    HA   ILE  79           HA       ILE  79  -4.778   0.259   1.225
  172    HB   ILE  79           HB       ILE  79  -3.519   1.980   3.371
  173   HG12  ILE  79          HG12      ILE  79  -1.804   0.716   2.186
  174   HG13  ILE  79          HG11      ILE  79  -2.056   0.039   3.797
  175   HG21  ILE  79          HG21      ILE  79  -5.012  -0.630   3.509
  176   HG22  ILE  79          HG22      ILE  79  -5.612   0.943   4.036
  177   HG23  ILE  79          HG23      ILE  79  -4.254   0.192   4.873
  178   HD11  ILE  79          HD11      ILE  79  -3.146  -1.045   1.219
  179   HD12  ILE  79          HD12      ILE  79  -3.418  -1.730   2.821
  180   HD13  ILE  79          HD13      ILE  79  -1.790  -1.696   2.135
  181    H    ARG  80           HN       ARG  80  -4.430   3.764   1.670
  182    HA   ARG  80           HA       ARG  80  -6.821   4.342   2.897
  183    HB2  ARG  80           HB2      ARG  80  -4.996   5.826   1.055
  184    HB3  ARG  80           HB1      ARG  80  -6.487   6.554   1.590
  185    HG2  ARG  80           HG2      ARG  80  -4.380   5.493   3.438
  186    HG3  ARG  80           HG1      ARG  80  -4.519   7.181   2.948
  187    HD2  ARG  80           HD2      ARG  80  -6.669   5.610   4.367
  188    HD3  ARG  80           HD1      ARG  80  -5.531   6.702   5.159
  189    HE   ARG  80           HE       ARG  80  -6.534   8.515   3.836
  190   HH11  ARG  80          HH11      ARG  80  -8.327   5.543   4.270
  191   HH12  ARG  80          HH12      ARG  80  -9.873   6.284   3.999
  192   HH21  ARG  80          HH21      ARG  80  -8.578   9.502   3.470
  193   HH22  ARG  80          HH22      ARG  80 -10.020   8.530   3.550
  194    H    HIS  81           HN       HIS  81  -6.260   3.450  -0.423
  195    HA   HIS  81           HA       HIS  81  -8.849   4.456  -1.277
  196    HB2  HIS  81           HB2      HIS  81  -6.810   4.524  -2.751
  197    HB3  HIS  81           HB1      HIS  81  -6.890   2.769  -2.852
  198    HD1  HIS  81           HD1      HIS  81  -7.581   2.380  -5.219
  199    HD2  HIS  81           HD2      HIS  81  -9.906   5.283  -3.345
  200    HE1  HIS  81           HE1      HIS  81  -9.407   2.955  -6.855
  201    HE2  HIS  81           HE2      HIS  81 -10.791   4.728  -5.715
  202    H    HIS  82           HN       HIS  82  -7.859   1.852   0.428
  203    HA   HIS  82           HA       HIS  82  -9.628  -0.113  -0.746
  204    HB2  HIS  82           HB2      HIS  82  -7.664  -0.067   1.463
  205    HB3  HIS  82           HB1      HIS  82  -8.981  -1.203   1.629
  206    HD1  HIS  82           HD1      HIS  82  -9.174  -2.334  -1.231
  207    HD2  HIS  82           HD2      HIS  82  -5.623  -1.590   0.812
  208    HE1  HIS  82           HE1      HIS  82  -7.416  -3.857  -2.262
  209    H    ASP  83           HN       ASP  83  -9.566   2.087   1.892
  210    HA   ASP  83           HA       ASP  83 -12.348   1.528   2.540
  211    HB2  ASP  83           HB2      ASP  83 -11.190  -0.030   3.977
  212    HB3  ASP  83           HB1      ASP  83 -10.079   1.230   4.523
  Start of MODEL    8
    1    H1   LYS  58           HT1      LYS  58  11.970  -6.039  -1.012
    2    H2   LYS  58           HT2      LYS  58  10.310  -6.363  -0.923
    3    H3   LYS  58           HT3      LYS  58  11.348  -6.930   0.293
    4    HA   LYS  58           HA       LYS  58  11.854  -4.662   0.938
    5    HB2  LYS  58           HB2      LYS  58   9.790  -4.016  -1.183
    6    HB3  LYS  58           HB1      LYS  58  10.342  -2.867   0.027
    7    HG2  LYS  58           HG2      LYS  58  12.091  -4.200  -2.032
    8    HG3  LYS  58           HG1      LYS  58  11.454  -2.557  -2.133
    9    HD2  LYS  58           HD2      LYS  58  12.666  -1.943  -0.115
   10    HD3  LYS  58           HD1      LYS  58  13.259  -3.596   0.052
   11    HE2  LYS  58           HE2      LYS  58  14.983  -2.196  -0.905
   12    HE3  LYS  58           HE1      LYS  58  14.431  -3.365  -2.102
   13    HZ1  LYS  58           HZ1      LYS  58  13.134  -1.672  -3.167
   14    HZ2  LYS  58           HZ2      LYS  58  14.723  -1.105  -2.999
   15    HZ3  LYS  58           HZ3      LYS  58  13.509  -0.544  -1.955
   16    HA   PRO  59           HA       PRO  59   8.680  -5.776   3.760
   17    HB2  PRO  59           HB2      PRO  59   9.223  -4.092   5.751
   18    HB3  PRO  59           HB1      PRO  59  10.391  -5.338   5.267
   19    HG2  PRO  59           HG2      PRO  59  10.316  -2.434   4.541
   20    HG3  PRO  59           HG1      PRO  59  11.695  -3.404   5.092
   21    HD2  PRO  59           HD2      PRO  59  11.196  -2.833   2.463
   22    HD3  PRO  59           HD1      PRO  59  12.050  -4.293   3.002
   23    H    TYR  60           HN       TYR  60   7.796  -3.968   1.641
   24    HA   TYR  60           HA       TYR  60   5.669  -2.632   3.128
   25    HB2  TYR  60           HB2      TYR  60   7.399  -1.311   1.035
   26    HB3  TYR  60           HB1      TYR  60   5.839  -0.672   1.540
   27    HD1  TYR  60           HD2      TYR  60   5.519  -0.033   3.947
   28    HD2  TYR  60           HD1      TYR  60   9.348  -0.885   2.295
   29    HE1  TYR  60           HE2      TYR  60   6.589   1.126   5.836
   30    HE2  TYR  60           HE1      TYR  60  10.427   0.272   4.180
   31    HH   TYR  60           HH       TYR  60   9.907   1.954   5.848
   32    H    VAL  61           HN       VAL  61   4.330  -4.262   2.478
   33    HA   VAL  61           HA       VAL  61   3.400  -4.060  -0.285
   34    HB   VAL  61           HB       VAL  61   3.915  -6.650   1.210
   35   HG11  VAL  61          HG11      VAL  61   1.787  -6.731  -0.007
   36   HG12  VAL  61          HG12      VAL  61   2.994  -7.797  -0.726
   37   HG13  VAL  61          HG13      VAL  61   2.621  -6.249  -1.484
   38   HG21  VAL  61          HG21      VAL  61   5.036  -5.598  -1.377
   39   HG22  VAL  61          HG22      VAL  61   5.390  -7.173  -0.668
   40   HG23  VAL  61          HG23      VAL  61   5.898  -5.697   0.156
   41    H    CYS  62           HN       CYS  62   1.201  -4.064  -0.436
   42    HA   CYS  62           HA       CYS  62  -0.368  -3.928   1.950
   43    HB2  CYS  62           HB2      CYS  62  -1.168  -2.718   0.024
   44    HB3  CYS  62           HB1      CYS  62  -1.159  -4.168  -0.964
   45    H    GLU  63           HN       GLU  63  -0.453  -5.748   3.148
   46    HA   GLU  63           HA       GLU  63  -0.434  -8.353   1.975
   47    HB2  GLU  63           HB2      GLU  63  -1.484  -8.369   4.659
   48    HB3  GLU  63           HB1      GLU  63   0.040  -9.005   4.065
   49    HG2  GLU  63           HG2      GLU  63   0.649  -7.504   5.728
   50    HG3  GLU  63           HG1      GLU  63   0.903  -6.609   4.231
   51    H    ARG  64           HN       ARG  64  -2.745  -6.026   2.147
   52    HA   ARG  64           HA       ARG  64  -4.972  -7.783   2.676
   53    HB2  ARG  64           HB2      ARG  64  -5.030  -4.829   2.091
   54    HB3  ARG  64           HB1      ARG  64  -6.267  -5.799   2.879
   55    HG2  ARG  64           HG2      ARG  64  -4.586  -6.294   4.679
   56    HG3  ARG  64           HG1      ARG  64  -3.554  -5.078   3.940
   57    HD2  ARG  64           HD2      ARG  64  -5.371  -3.418   4.258
   58    HD3  ARG  64           HD1      ARG  64  -6.288  -4.658   5.133
   59    HE   ARG  64           HE       ARG  64  -3.588  -3.969   6.044
   60   HH11  ARG  64          HH11      ARG  64  -7.046  -3.928   6.597
   61   HH12  ARG  64          HH12      ARG  64  -6.895  -3.541   8.285
   62   HH21  ARG  64          HH21      ARG  64  -3.373  -3.461   8.229
   63   HH22  ARG  64          HH22      ARG  64  -4.793  -3.254   9.220
   64    H    CYS  65           HN       CYS  65  -3.475  -6.169  -0.148
   65    HA   CYS  65           HA       CYS  65  -5.246  -7.997  -1.620
   66    HB2  CYS  65           HB2      CYS  65  -5.786  -6.468  -3.370
   67    HB3  CYS  65           HB1      CYS  65  -6.201  -5.716  -1.829
   68    H    GLY  66           HN       GLY  66  -2.126  -7.080  -1.010
   69    HA2  GLY  66           HA2      GLY  66  -0.349  -8.455  -1.650
   70    HA3  GLY  66           HA1      GLY  66  -1.295  -9.009  -3.022
   71    H    LYS  67           HN       LYS  67  -1.162  -5.591  -2.736
   72    HA   LYS  67           HA       LYS  67   0.734  -5.581  -4.967
   73    HB2  LYS  67           HB2      LYS  67  -1.129  -3.394  -4.047
   74    HB3  LYS  67           HB1      LYS  67  -0.071  -3.313  -5.449
   75    HG2  LYS  67           HG2      LYS  67  -2.441  -5.114  -5.042
   76    HG3  LYS  67           HG1      LYS  67  -2.259  -3.809  -6.214
   77    HD2  LYS  67           HD2      LYS  67  -0.599  -6.328  -6.164
   78    HD3  LYS  67           HD1      LYS  67  -1.995  -6.065  -7.211
   79    HE2  LYS  67           HE2      LYS  67  -0.881  -4.244  -8.322
   80    HE3  LYS  67           HE1      LYS  67   0.465  -4.320  -7.187
   81    HZ1  LYS  67           HZ1      LYS  67   0.935  -5.394  -9.345
   82    HZ2  LYS  67           HZ2      LYS  67  -0.292  -6.525  -9.027
   83    HZ3  LYS  67           HZ3      LYS  67   1.074  -6.459  -8.030
   84    H    ARG  68           HN       ARG  68   2.542  -4.329  -5.037
   85    HA   ARG  68           HA       ARG  68   3.677  -3.766  -2.426
   86    HB2  ARG  68           HB2      ARG  68   4.907  -3.978  -5.160
   87    HB3  ARG  68           HB1      ARG  68   5.799  -3.687  -3.672
   88    HG2  ARG  68           HG2      ARG  68   4.999  -5.793  -2.792
   89    HG3  ARG  68           HG1      ARG  68   4.176  -6.112  -4.323
   90    HD2  ARG  68           HD2      ARG  68   6.268  -6.069  -5.512
   91    HD3  ARG  68           HD1      ARG  68   7.127  -5.608  -4.046
   92    HE   ARG  68           HE       ARG  68   6.006  -7.954  -3.342
   93   HH11  ARG  68          HH11      ARG  68   7.780  -6.999  -6.201
   94   HH12  ARG  68          HH12      ARG  68   8.575  -8.535  -6.380
   95   HH21  ARG  68          HH21      ARG  68   7.037  -9.988  -3.573
   96   HH22  ARG  68          HH22      ARG  68   8.145 -10.244  -4.890
   97    H    PHE  69           HN       PHE  69   4.916  -1.991  -1.977
   98    HA   PHE  69           HA       PHE  69   5.092   0.265  -3.785
   99    HB2  PHE  69           HB2      PHE  69   3.463   0.324  -1.288
  100    HB3  PHE  69           HB1      PHE  69   4.419   1.745  -1.700
  101    HD1  PHE  69           HD1      PHE  69   3.921   3.042  -3.679
  102    HD2  PHE  69           HD2      PHE  69   1.542  -0.309  -2.596
  103    HE1  PHE  69           HE1      PHE  69   2.168   3.794  -5.229
  104    HE2  PHE  69           HE2      PHE  69  -0.219   0.438  -4.144
  105    HZ   PHE  69           HZ       PHE  69   0.092   2.492  -5.463
  106    H    VAL  70           HN       VAL  70   6.828   1.476  -3.400
  107    HA   VAL  70           HA       VAL  70   8.812   0.338  -1.664
  108    HB   VAL  70           HB       VAL  70   8.783   2.304  -3.910
  109   HG11  VAL  70          HG11      VAL  70  10.020   3.467  -2.184
  110   HG12  VAL  70          HG12      VAL  70  11.082   2.944  -3.491
  111   HG13  VAL  70          HG13      VAL  70  11.060   2.058  -1.964
  112   HG21  VAL  70          HG21      VAL  70  10.514  -0.070  -3.238
  113   HG22  VAL  70          HG22      VAL  70  10.592   0.872  -4.726
  114   HG23  VAL  70          HG23      VAL  70   9.146  -0.061  -4.349
  115    H    GLN  71           HN       GLN  71   6.777   3.191  -1.857
  116    HA   GLN  71           HA       GLN  71   8.147   4.451   0.351
  117    HB2  GLN  71           HB2      GLN  71   5.719   5.382  -1.163
  118    HB3  GLN  71           HB1      GLN  71   6.896   6.339  -0.289
  119    HG2  GLN  71           HG2      GLN  71   7.671   4.755  -2.687
  120    HG3  GLN  71           HG1      GLN  71   6.972   6.354  -2.838
  121   HE21  GLN  71          HE21      GLN  71   9.141   5.412  -0.244
  122   HE22  GLN  71          HE22      GLN  71  10.468   6.400  -0.750
  123    H    SER  72           HN       SER  72   7.353   4.369   2.388
  124    HA   SER  72           HA       SER  72   5.214   2.674   3.082
  125    HB2  SER  72           HB2      SER  72   5.438   3.830   5.346
  126    HB3  SER  72           HB1      SER  72   6.890   3.049   4.724
  127    HG   SER  72           HG       SER  72   6.472   5.643   5.341
  128    H    SER  73           HN       SER  73   5.439   6.120   2.474
  129    HA   SER  73           HA       SER  73   2.846   6.803   3.358
  130    HB2  SER  73           HB2      SER  73   3.181   8.782   1.777
  131    HB3  SER  73           HB1      SER  73   4.380   8.581   3.052
  132    HG   SER  73           HG       SER  73   4.859   8.784   0.504
  133    H    GLN  74           HN       GLN  74   4.102   5.720   0.219
  134    HA   GLN  74           HA       GLN  74   1.575   6.081  -1.092
  135    HB2  GLN  74           HB2      GLN  74   4.187   4.825  -1.923
  136    HB3  GLN  74           HB1      GLN  74   2.753   4.777  -2.950
  137    HG2  GLN  74           HG2      GLN  74   4.028   7.299  -1.911
  138    HG3  GLN  74           HG1      GLN  74   4.327   6.606  -3.504
  139   HE21  GLN  74          HE21      GLN  74   1.582   5.725  -3.853
  140   HE22  GLN  74          HE22      GLN  74   0.647   7.143  -4.165
  141    H    LEU  75           HN       LEU  75   3.190   3.595   0.657
  142    HA   LEU  75           HA       LEU  75   1.612   1.402  -0.108
  143    HB2  LEU  75           HB2      LEU  75   3.555   0.914   1.137
  144    HB3  LEU  75           HB1      LEU  75   3.178   2.127   2.359
  145    HG   LEU  75           HG       LEU  75   1.319   0.694   3.157
  146   HD11  LEU  75          HD11      LEU  75   1.173  -1.594   2.372
  147   HD12  LEU  75          HD12      LEU  75   2.452  -1.278   1.199
  148   HD13  LEU  75          HD13      LEU  75   0.901  -0.445   1.059
  149   HD21  LEU  75          HD21      LEU  75   2.712  -0.980   4.241
  150   HD22  LEU  75          HD22      LEU  75   3.533   0.583   4.208
  151   HD23  LEU  75          HD23      LEU  75   3.998  -0.687   3.072
  152    H    ALA  76           HN       ALA  76   1.317   3.548   2.687
  153    HA   ALA  76           HA       ALA  76  -1.312   2.722   3.340
  154    HB1  ALA  76           HB1      ALA  76   0.159   3.837   4.959
  155    HB2  ALA  76           HB2      ALA  76  -1.377   4.686   4.791
  156    HB3  ALA  76           HB3      ALA  76   0.073   5.323   4.014
  157    H    ASN  77           HN       ASN  77  -0.040   5.088   1.077
  158    HA   ASN  77           HA       ASN  77  -2.499   6.368   0.488
  159    HB2  ASN  77           HB2      ASN  77  -0.223   7.077  -0.359
  160    HB3  ASN  77           HB1      ASN  77  -0.297   5.737  -1.498
  161   HD21  ASN  77          HD21      ASN  77  -2.784   8.031  -0.427
  162   HD22  ASN  77          HD22      ASN  77  -3.120   8.664  -2.019
  163    H    HIS  78           HN       HIS  78  -1.016   3.368  -0.580
  164    HA   HIS  78           HA       HIS  78  -2.972   2.615  -2.474
  165    HB2  HIS  78           HB2      HIS  78  -0.826   1.570  -2.476
  166    HB3  HIS  78           HB1      HIS  78  -0.987   1.091  -0.791
  167    HD1  HIS  78           HD1      HIS  78  -2.045   0.089  -4.259
  168    HD2  HIS  78           HD2      HIS  78  -2.355  -1.192  -0.330
  169    HE1  HIS  78           HE1      HIS  78  -2.867  -2.296  -4.365
  170    H    ILE  79           HN       ILE  79  -2.627   1.988   1.001
  171    HA   ILE  79           HA       ILE  79  -4.954   0.377   1.286
  172    HB   ILE  79           HB       ILE  79  -3.831   2.163   3.444
  173   HG12  ILE  79          HG12      ILE  79  -1.922   1.047   2.378
  174   HG13  ILE  79          HG11      ILE  79  -2.208   0.409   3.999
  175   HG21  ILE  79          HG21      ILE  79  -4.500   0.310   4.903
  176   HG22  ILE  79          HG22      ILE  79  -5.101  -0.563   3.493
  177   HG23  ILE  79          HG23      ILE  79  -5.857   0.953   3.980
  178   HD11  ILE  79          HD11      ILE  79  -3.274  -1.543   3.045
  179   HD12  ILE  79          HD12      ILE  79  -1.644  -1.335   2.408
  180   HD13  ILE  79          HD13      ILE  79  -3.041  -0.895   1.424
  181    H    ARG  80           HN       ARG  80  -4.293   3.847   1.511
  182    HA   ARG  80           HA       ARG  80  -6.739   4.786   2.367
  183    HB2  ARG  80           HB2      ARG  80  -4.455   5.797   0.788
  184    HB3  ARG  80           HB1      ARG  80  -5.941   6.708   0.691
  185    HG2  ARG  80           HG2      ARG  80  -4.702   5.946   3.304
  186    HG3  ARG  80           HG1      ARG  80  -4.273   7.425   2.444
  187    HD2  ARG  80           HD2      ARG  80  -7.016   6.638   3.415
  188    HD3  ARG  80           HD1      ARG  80  -5.979   7.882   4.114
  189    HE   ARG  80           HE       ARG  80  -6.229   9.054   1.916
  190   HH11  ARG  80          HH11      ARG  80  -8.650   6.783   3.024
  191   HH12  ARG  80          HH12      ARG  80  -9.925   7.487   2.089
  192   HH21  ARG  80          HH21      ARG  80  -7.904  10.006   0.710
  193   HH22  ARG  80          HH22      ARG  80  -9.511   9.336   0.785
  194    H    HIS  81           HN       HIS  81  -5.743   3.778  -0.874
  195    HA   HIS  81           HA       HIS  81  -8.215   4.702  -2.052
  196    HB2  HIS  81           HB2      HIS  81  -6.017   4.694  -3.288
  197    HB3  HIS  81           HB1      HIS  81  -6.126   2.939  -3.344
  198    HD1  HIS  81           HD1      HIS  81  -6.366   2.775  -5.874
  199    HD2  HIS  81           HD2      HIS  81  -9.242   5.196  -4.094
  200    HE1  HIS  81           HE1      HIS  81  -8.083   3.221  -7.666
  201    HE2  HIS  81           HE2      HIS  81  -9.913   4.520  -6.499
  202    H    HIS  82           HN       HIS  82  -7.560   2.196  -0.098
  203    HA   HIS  82           HA       HIS  82  -9.235   0.199  -1.337
  204    HB2  HIS  82           HB2      HIS  82  -7.745   0.490   1.195
  205    HB3  HIS  82           HB1      HIS  82  -9.201  -0.471   1.307
  206    HD1  HIS  82           HD1      HIS  82  -9.109  -2.121  -1.253
  207    HD2  HIS  82           HD2      HIS  82  -5.755  -1.249   1.057
  208    HE1  HIS  82           HE1      HIS  82  -7.395  -3.924  -1.755
  209    H    ASP  83           HN       ASP  83 -10.788   2.038  -1.769
  210    HA   ASP  83           HA       ASP  83 -12.328   2.957   0.517
  211    HB2  ASP  83           HB2      ASP  83 -11.563   4.430  -1.440
  212    HB3  ASP  83           HB1      ASP  83 -12.820   3.626  -2.386
  Start of MODEL    9
    1    H1   LYS  58           HT1      LYS  58   9.826  -4.615  -1.427
    2    H2   LYS  58           HT2      LYS  58  10.853  -5.671  -0.593
    3    H3   LYS  58           HT3      LYS  58  11.505  -4.362  -1.453
    4    HA   LYS  58           HA       LYS  58  11.528  -3.881   0.884
    5    HB2  LYS  58           HB2      LYS  58   9.399  -2.340  -0.624
    6    HB3  LYS  58           HB1      LYS  58  10.161  -1.794   0.864
    7    HG2  LYS  58           HG2      LYS  58  11.522  -2.248  -1.786
    8    HG3  LYS  58           HG1      LYS  58  11.142  -0.689  -1.046
    9    HD2  LYS  58           HD2      LYS  58  12.640  -1.204   0.814
   10    HD3  LYS  58           HD1      LYS  58  12.998  -2.776   0.094
   11    HE2  LYS  58           HE2      LYS  58  13.836  -1.556  -1.928
   12    HE3  LYS  58           HE1      LYS  58  13.669  -0.057  -1.014
   13    HZ1  LYS  58           HZ1      LYS  58  15.375  -2.365  -0.251
   14    HZ2  LYS  58           HZ2      LYS  58  15.220  -0.923   0.627
   15    HZ3  LYS  58           HZ3      LYS  58  15.929  -0.904  -0.919
   16    HA   PRO  59           HA       PRO  59   8.396  -5.586   3.450
   17    HB2  PRO  59           HB2      PRO  59   8.456  -3.995   5.612
   18    HB3  PRO  59           HB1      PRO  59   9.825  -5.038   5.182
   19    HG2  PRO  59           HG2      PRO  59   9.421  -2.126   4.609
   20    HG3  PRO  59           HG1      PRO  59  10.846  -2.930   5.295
   21    HD2  PRO  59           HD2      PRO  59  10.709  -2.282   2.683
   22    HD3  PRO  59           HD1      PRO  59  11.526  -3.757   3.238
   23    H    TYR  60           HN       TYR  60   7.807  -2.972   1.705
   24    HA   TYR  60           HA       TYR  60   5.334  -2.176   3.052
   25    HB2  TYR  60           HB2      TYR  60   6.886  -0.914   0.785
   26    HB3  TYR  60           HB1      TYR  60   5.336  -0.318   1.369
   27    HD1  TYR  60           HD2      TYR  60   5.161   0.793   3.536
   28    HD2  TYR  60           HD1      TYR  60   8.893  -0.645   2.086
   29    HE1  TYR  60           HE2      TYR  60   6.330   2.119   5.247
   30    HE2  TYR  60           HE1      TYR  60  10.072   0.685   3.784
   31    HH   TYR  60           HH       TYR  60   9.773   2.528   5.218
   32    H    VAL  61           HN       VAL  61   4.105  -4.001   2.512
   33    HA   VAL  61           HA       VAL  61   3.309  -4.084  -0.309
   34    HB   VAL  61           HB       VAL  61   3.353  -6.475   1.548
   35   HG11  VAL  61          HG11      VAL  61   1.671  -6.541  -0.229
   36   HG12  VAL  61          HG12      VAL  61   2.928  -7.753  -0.473
   37   HG13  VAL  61          HG13      VAL  61   2.938  -6.268  -1.432
   38   HG21  VAL  61          HG21      VAL  61   5.254  -7.265   0.209
   39   HG22  VAL  61          HG22      VAL  61   5.627  -5.773   1.073
   40   HG23  VAL  61          HG23      VAL  61   5.265  -5.726  -0.652
   41    H    CYS  62           HN       CYS  62   1.148  -4.193  -0.695
   42    HA   CYS  62           HA       CYS  62  -0.649  -3.396   1.377
   43    HB2  CYS  62           HB2      CYS  62  -1.007  -2.781  -0.991
   44    HB3  CYS  62           HB1      CYS  62  -1.271  -4.470  -1.373
   45    H    GLU  63           HN       GLU  63  -0.808  -4.853   2.970
   46    HA   GLU  63           HA       GLU  63  -0.903  -7.624   2.759
   47    HB2  GLU  63           HB2      GLU  63  -0.504  -6.355   4.831
   48    HB3  GLU  63           HB1      GLU  63  -2.173  -5.813   4.825
   49    HG2  GLU  63           HG2      GLU  63  -2.935  -8.088   5.165
   50    HG3  GLU  63           HG1      GLU  63  -1.270  -8.671   5.098
   51    H    ARG  64           HN       ARG  64  -3.215  -5.330   1.815
   52    HA   ARG  64           HA       ARG  64  -5.457  -7.104   2.253
   53    HB2  ARG  64           HB2      ARG  64  -5.463  -4.258   1.269
   54    HB3  ARG  64           HB1      ARG  64  -6.844  -5.193   1.822
   55    HG2  ARG  64           HG2      ARG  64  -5.465  -5.452   4.003
   56    HG3  ARG  64           HG1      ARG  64  -4.594  -4.048   3.398
   57    HD2  ARG  64           HD2      ARG  64  -6.659  -2.768   3.322
   58    HD3  ARG  64           HD1      ARG  64  -7.575  -4.187   3.854
   59    HE   ARG  64           HE       ARG  64  -5.503  -3.648   5.690
   60   HH11  ARG  64          HH11      ARG  64  -8.612  -2.372   4.669
   61   HH12  ARG  64          HH12      ARG  64  -8.966  -1.659   6.214
   62   HH21  ARG  64          HH21      ARG  64  -5.957  -2.718   7.701
   63   HH22  ARG  64          HH22      ARG  64  -7.433  -1.827   7.935
   64    H    CYS  65           HN       CYS  65  -3.513  -5.963  -0.522
   65    HA   CYS  65           HA       CYS  65  -5.153  -7.914  -1.980
   66    HB2  CYS  65           HB2      CYS  65  -5.486  -6.603  -3.910
   67    HB3  CYS  65           HB1      CYS  65  -5.951  -5.595  -2.539
   68    H    GLY  66           HN       GLY  66  -2.153  -7.134  -1.015
   69    HA2  GLY  66           HA2      GLY  66  -0.347  -8.578  -1.381
   70    HA3  GLY  66           HA1      GLY  66  -1.096  -9.096  -2.889
   71    H    LYS  67           HN       LYS  67  -1.347  -5.977  -3.362
   72    HA   LYS  67           HA       LYS  67   1.048  -5.920  -4.968
   73    HB2  LYS  67           HB2      LYS  67  -1.145  -3.866  -4.634
   74    HB3  LYS  67           HB1      LYS  67   0.110  -3.841  -5.872
   75    HG2  LYS  67           HG2      LYS  67  -0.747  -5.743  -6.942
   76    HG3  LYS  67           HG1      LYS  67  -1.757  -6.168  -5.562
   77    HD2  LYS  67           HD2      LYS  67  -3.068  -4.120  -5.967
   78    HD3  LYS  67           HD1      LYS  67  -2.097  -3.824  -7.415
   79    HE2  LYS  67           HE2      LYS  67  -3.862  -6.209  -6.879
   80    HE3  LYS  67           HE1      LYS  67  -4.161  -4.914  -8.033
   81    HZ1  LYS  67           HZ1      LYS  67  -2.188  -5.599  -9.259
   82    HZ2  LYS  67           HZ2      LYS  67  -3.304  -6.869  -9.136
   83    HZ3  LYS  67           HZ3      LYS  67  -1.922  -6.865  -8.157
   84    H    ARG  68           HN       ARG  68   2.873  -4.794  -4.626
   85    HA   ARG  68           HA       ARG  68   3.117  -3.630  -1.950
   86    HB2  ARG  68           HB2      ARG  68   5.550  -4.142  -2.285
   87    HB3  ARG  68           HB1      ARG  68   4.485  -5.545  -2.231
   88    HG2  ARG  68           HG2      ARG  68   4.563  -5.777  -4.579
   89    HG3  ARG  68           HG1      ARG  68   5.402  -4.235  -4.758
   90    HD2  ARG  68           HD2      ARG  68   7.339  -5.173  -3.570
   91    HD3  ARG  68           HD1      ARG  68   6.493  -6.716  -3.429
   92    HE   ARG  68           HE       ARG  68   6.479  -6.703  -5.943
   93   HH11  ARG  68          HH11      ARG  68   8.967  -5.082  -4.087
   94   HH12  ARG  68          HH12      ARG  68  10.125  -5.107  -5.385
   95   HH21  ARG  68          HH21      ARG  68   8.001  -6.769  -7.634
   96   HH22  ARG  68          HH22      ARG  68   9.583  -6.100  -7.383
   97    H    PHE  69           HN       PHE  69   4.977  -2.106  -1.714
   98    HA   PHE  69           HA       PHE  69   5.409  -0.251  -3.906
   99    HB2  PHE  69           HB2      PHE  69   3.964   0.361  -1.348
  100    HB3  PHE  69           HB1      PHE  69   4.972   1.604  -2.099
  101    HD1  PHE  69           HD2      PHE  69   1.949  -0.424  -2.413
  102    HD2  PHE  69           HD1      PHE  69   4.326   2.620  -4.194
  103    HE1  PHE  69           HE2      PHE  69   0.081   0.161  -3.897
  104    HE2  PHE  69           HE1      PHE  69   2.459   3.211  -5.679
  105    HZ   PHE  69           HZ       PHE  69   0.391   1.958  -5.611
  106    H    VAL  70           HN       VAL  70   6.904   1.534  -2.952
  107    HA   VAL  70           HA       VAL  70   9.008   0.193  -1.392
  108    HB   VAL  70           HB       VAL  70   9.323   2.610  -3.171
  109   HG11  VAL  70          HG11      VAL  70  11.686   1.931  -3.176
  110   HG12  VAL  70          HG12      VAL  70  11.288   0.630  -2.054
  111   HG13  VAL  70          HG13      VAL  70  11.079   2.311  -1.567
  112   HG21  VAL  70          HG21      VAL  70   9.716  -0.275  -3.940
  113   HG22  VAL  70          HG22      VAL  70  10.216   1.117  -4.903
  114   HG23  VAL  70          HG23      VAL  70   8.505   0.835  -4.579
  115    H    GLN  71           HN       GLN  71   6.654   2.580  -1.495
  116    HA   GLN  71           HA       GLN  71   8.126   4.390   0.290
  117    HB2  GLN  71           HB2      GLN  71   5.787   5.046  -1.501
  118    HB3  GLN  71           HB1      GLN  71   6.931   6.159  -0.771
  119    HG2  GLN  71           HG2      GLN  71   8.703   4.944  -2.207
  120    HG3  GLN  71           HG1      GLN  71   7.316   4.324  -3.092
  121   HE21  GLN  71          HE21      GLN  71   7.989   5.370  -4.956
  122   HE22  GLN  71          HE22      GLN  71   7.787   7.087  -5.163
  123    H    SER  72           HN       SER  72   7.312   4.689   2.270
  124    HA   SER  72           HA       SER  72   5.204   3.175   3.304
  125    HB2  SER  72           HB2      SER  72   7.005   4.198   4.678
  126    HB3  SER  72           HB1      SER  72   6.292   5.786   4.389
  127    HG   SER  72           HG       SER  72   5.652   4.819   6.396
  128    H    SER  73           HN       SER  73   5.339   6.564   2.329
  129    HA   SER  73           HA       SER  73   2.711   7.276   2.876
  130    HB2  SER  73           HB2      SER  73   3.112   8.935   0.938
  131    HB3  SER  73           HB1      SER  73   4.187   9.026   2.336
  132    HG   SER  73           HG       SER  73   5.802   8.169   1.186
  133    H    GLN  74           HN       GLN  74   4.099   5.740  -0.006
  134    HA   GLN  74           HA       GLN  74   1.726   6.048  -1.564
  135    HB2  GLN  74           HB2      GLN  74   4.252   4.435  -1.964
  136    HB3  GLN  74           HB1      GLN  74   2.947   4.496  -3.142
  137    HG2  GLN  74           HG2      GLN  74   4.559   6.844  -2.178
  138    HG3  GLN  74           HG1      GLN  74   4.747   6.020  -3.726
  139   HE21  GLN  74          HE21      GLN  74   3.189   6.303  -5.323
  140   HE22  GLN  74          HE22      GLN  74   2.036   7.590  -5.265
  141    H    LEU  75           HN       LEU  75   3.233   3.532   0.341
  142    HA   LEU  75           HA       LEU  75   1.444   1.450  -0.260
  143    HB2  LEU  75           HB2      LEU  75   3.518   0.968   0.873
  144    HB3  LEU  75           HB1      LEU  75   3.099   2.051   2.199
  145    HG   LEU  75           HG       LEU  75   1.233   0.531   2.801
  146   HD11  LEU  75          HD11      LEU  75   2.446  -1.196   0.671
  147   HD12  LEU  75          HD12      LEU  75   0.871  -0.402   0.618
  148   HD13  LEU  75          HD13      LEU  75   1.173  -1.683   1.793
  149   HD21  LEU  75          HD21      LEU  75   3.349   0.320   3.960
  150   HD22  LEU  75          HD22      LEU  75   3.961  -0.743   2.694
  151   HD23  LEU  75          HD23      LEU  75   2.626  -1.273   3.716
  152    H    ALA  76           HN       ALA  76   1.555   3.551   2.563
  153    HA   ALA  76           HA       ALA  76  -0.913   2.860   3.636
  154    HB1  ALA  76           HB1      ALA  76  -0.821   4.994   4.845
  155    HB2  ALA  76           HB2      ALA  76   0.470   5.547   3.778
  156    HB3  ALA  76           HB3      ALA  76   0.747   4.183   4.861
  157    H    ASN  77           HN       ASN  77  -0.090   5.289   1.161
  158    HA   ASN  77           HA       ASN  77  -2.673   6.377   0.874
  159    HB2  ASN  77           HB2      ASN  77  -0.724   7.346  -0.255
  160    HB3  ASN  77           HB1      ASN  77  -0.560   5.903  -1.248
  161   HD21  ASN  77          HD21      ASN  77  -2.360   8.804  -0.674
  162   HD22  ASN  77          HD22      ASN  77  -3.265   8.783  -2.167
  163    H    HIS  78           HN       HIS  78  -1.130   3.583  -0.615
  164    HA   HIS  78           HA       HIS  78  -3.194   2.825  -2.354
  165    HB2  HIS  78           HB2      HIS  78  -0.887   2.050  -2.498
  166    HB3  HIS  78           HB1      HIS  78  -1.051   1.217  -0.952
  167    HD1  HIS  78           HD1      HIS  78  -1.850   0.883  -4.588
  168    HD2  HIS  78           HD2      HIS  78  -2.406  -1.185  -1.027
  169    HE1  HIS  78           HE1      HIS  78  -2.500  -1.473  -5.235
  170    H    ILE  79           HN       ILE  79  -2.436   1.815   0.949
  171    HA   ILE  79           HA       ILE  79  -4.614  -0.052   1.033
  172    HB   ILE  79           HB       ILE  79  -2.644   0.844   3.122
  173   HG12  ILE  79          HG12      ILE  79  -2.924  -1.646   1.431
  174   HG13  ILE  79          HG11      ILE  79  -1.744  -0.359   1.184
  175   HG21  ILE  79          HG21      ILE  79  -4.687  -1.372   3.247
  176   HG22  ILE  79          HG22      ILE  79  -4.681   0.097   4.224
  177   HG23  ILE  79          HG23      ILE  79  -3.399  -1.099   4.423
  178   HD11  ILE  79          HD11      ILE  79  -0.794  -2.335   2.239
  179   HD12  ILE  79          HD12      ILE  79  -1.907  -2.129   3.600
  180   HD13  ILE  79          HD13      ILE  79  -0.682  -0.898   3.268
  181    H    ARG  80           HN       ARG  80  -4.154   3.302   2.025
  182    HA   ARG  80           HA       ARG  80  -6.343   3.600   3.690
  183    HB2  ARG  80           HB2      ARG  80  -4.832   5.321   1.804
  184    HB3  ARG  80           HB1      ARG  80  -6.364   5.912   2.391
  185    HG2  ARG  80           HG2      ARG  80  -4.194   4.949   4.212
  186    HG3  ARG  80           HG1      ARG  80  -4.339   6.623   3.686
  187    HD2  ARG  80           HD2      ARG  80  -6.572   6.742   4.674
  188    HD3  ARG  80           HD1      ARG  80  -6.447   5.055   5.168
  189    HE   ARG  80           HE       ARG  80  -4.280   6.236   6.317
  190   HH11  ARG  80          HH11      ARG  80  -7.720   6.881   6.369
  191   HH12  ARG  80          HH12      ARG  80  -7.710   7.537   7.977
  192   HH21  ARG  80          HH21      ARG  80  -4.263   7.088   8.438
  193   HH22  ARG  80          HH22      ARG  80  -5.739   7.668   9.148
  194    H    HIS  81           HN       HIS  81  -6.211   2.993   0.286
  195    HA   HIS  81           HA       HIS  81  -9.005   3.702  -0.137
  196    HB2  HIS  81           HB2      HIS  81  -6.977   2.462  -2.020
  197    HB3  HIS  81           HB1      HIS  81  -8.599   2.973  -2.468
  198    HD1  HIS  81           HD1      HIS  81  -6.067   4.153  -3.822
  199    HD2  HIS  81           HD2      HIS  81  -8.082   5.895  -0.623
  200    HE1  HIS  81           HE1      HIS  81  -5.490   6.602  -3.908
  201    HE2  HIS  81           HE2      HIS  81  -6.864   7.658  -2.075
  202    H    HIS  82           HN       HIS  82  -7.661   1.296   1.441
  203    HA   HIS  82           HA       HIS  82  -9.558  -0.735   0.461
  204    HB2  HIS  82           HB2      HIS  82  -6.887  -0.962   1.810
  205    HB3  HIS  82           HB1      HIS  82  -8.045  -2.269   1.925
  206    HD1  HIS  82           HD1      HIS  82  -8.434  -3.693  -0.231
  207    HD2  HIS  82           HD2      HIS  82  -5.664  -0.626  -0.625
  208    HE1  HIS  82           HE1      HIS  82  -7.079  -4.215  -2.308
  209    H    ASP  83           HN       ASP  83  -9.328   1.587   2.688
  210    HA   ASP  83           HA       ASP  83 -10.028   0.024   5.033
  211    HB2  ASP  83           HB2      ASP  83  -8.503   2.034   5.152
  212    HB3  ASP  83           HB1      ASP  83  -9.917   3.038   4.812
  Start of MODEL   10
    1    H1   LYS  58           HT1      LYS  58  10.883  -5.830  -2.241
    2    H2   LYS  58           HT2      LYS  58   9.507  -6.444  -1.466
    3    H3   LYS  58           HT3      LYS  58  10.977  -6.336  -0.623
    4    HA   LYS  58           HA       LYS  58  10.910  -3.920  -0.821
    5    HB2  LYS  58           HB2      LYS  58   8.083  -4.374  -1.812
    6    HB3  LYS  58           HB1      LYS  58   8.872  -2.827  -1.551
    7    HG2  LYS  58           HG2      LYS  58   9.629  -4.866  -3.631
    8    HG3  LYS  58           HG1      LYS  58   8.755  -3.359  -3.914
    9    HD2  LYS  58           HD2      LYS  58  10.684  -2.079  -3.183
   10    HD3  LYS  58           HD1      LYS  58  11.556  -3.567  -2.810
   11    HE2  LYS  58           HE2      LYS  58  11.346  -4.206  -5.212
   12    HE3  LYS  58           HE1      LYS  58  10.650  -2.617  -5.525
   13    HZ1  LYS  58           HZ1      LYS  58  12.708  -1.607  -4.717
   14    HZ2  LYS  58           HZ2      LYS  58  13.004  -2.636  -6.028
   15    HZ3  LYS  58           HZ3      LYS  58  13.377  -3.147  -4.458
   16    HA   PRO  59           HA       PRO  59   9.456  -4.778   3.254
   17    HB2  PRO  59           HB2      PRO  59   9.803  -1.955   3.897
   18    HB3  PRO  59           HB1      PRO  59  10.747  -3.348   4.443
   19    HG2  PRO  59           HG2      PRO  59  11.729  -1.482   2.737
   20    HG3  PRO  59           HG1      PRO  59  12.241  -3.178   2.705
   21    HD2  PRO  59           HD2      PRO  59  10.303  -1.748   0.927
   22    HD3  PRO  59           HD1      PRO  59  11.540  -2.955   0.511
   23    H    TYR  60           HN       TYR  60   7.808  -2.835   1.096
   24    HA   TYR  60           HA       TYR  60   5.579  -2.500   2.978
   25    HB2  TYR  60           HB2      TYR  60   6.554  -0.597   0.848
   26    HB3  TYR  60           HB1      TYR  60   4.965  -0.466   1.592
   27    HD1  TYR  60           HD2      TYR  60   4.740   0.233   3.926
   28    HD2  TYR  60           HD1      TYR  60   8.543  -0.081   2.063
   29    HE1  TYR  60           HE2      TYR  60   5.733   1.549   5.751
   30    HE2  TYR  60           HE1      TYR  60   9.553   1.230   3.880
   31    HH   TYR  60           HH       TYR  60   8.803   2.915   5.557
   32    H    VAL  61           HN       VAL  61   4.446  -4.300   2.359
   33    HA   VAL  61           HA       VAL  61   3.333  -4.159  -0.358
   34    HB   VAL  61           HB       VAL  61   3.777  -6.718   1.191
   35   HG11  VAL  61          HG11      VAL  61   3.204  -7.800  -0.913
   36   HG12  VAL  61          HG12      VAL  61   2.984  -6.223  -1.675
   37   HG13  VAL  61          HG13      VAL  61   1.898  -6.737  -0.381
   38   HG21  VAL  61          HG21      VAL  61   5.917  -5.756   0.549
   39   HG22  VAL  61          HG22      VAL  61   5.345  -5.577  -1.109
   40   HG23  VAL  61          HG23      VAL  61   5.563  -7.188  -0.421
   41    H    CYS  62           HN       CYS  62   1.179  -4.286  -0.503
   42    HA   CYS  62           HA       CYS  62  -0.392  -3.963   1.868
   43    HB2  CYS  62           HB2      CYS  62  -1.106  -2.857  -0.172
   44    HB3  CYS  62           HB1      CYS  62  -1.214  -4.396  -1.018
   45    H    GLU  63           HN       GLU  63  -0.460  -5.704   3.174
   46    HA   GLU  63           HA       GLU  63  -0.590  -8.387   2.349
   47    HB2  GLU  63           HB2      GLU  63  -0.013  -7.504   4.650
   48    HB3  GLU  63           HB1      GLU  63  -1.732  -7.243   4.903
   49    HG2  GLU  63           HG2      GLU  63  -1.151  -9.290   5.942
   50    HG3  GLU  63           HG1      GLU  63  -2.081  -9.680   4.495
   51    H    ARG  64           HN       ARG  64  -2.879  -5.925   2.190
   52    HA   ARG  64           HA       ARG  64  -5.186  -7.576   2.640
   53    HB2  ARG  64           HB2      ARG  64  -5.095  -4.683   1.802
   54    HB3  ARG  64           HB1      ARG  64  -6.426  -5.538   2.571
   55    HG2  ARG  64           HG2      ARG  64  -4.961  -5.904   4.550
   56    HG3  ARG  64           HG1      ARG  64  -3.756  -4.880   3.782
   57    HD2  ARG  64           HD2      ARG  64  -5.411  -3.029   3.761
   58    HD3  ARG  64           HD1      ARG  64  -6.524  -4.072   4.665
   59    HE   ARG  64           HE       ARG  64  -3.876  -3.638   5.805
   60   HH11  ARG  64          HH11      ARG  64  -7.297  -2.836   5.871
   61   HH12  ARG  64          HH12      ARG  64  -7.213  -2.169   7.480
   62   HH21  ARG  64          HH21      ARG  64  -3.787  -2.745   7.890
   63   HH22  ARG  64          HH22      ARG  64  -5.241  -2.111   8.614
   64    H    CYS  65           HN       CYS  65  -3.525  -6.135  -0.209
   65    HA   CYS  65           HA       CYS  65  -5.259  -7.971  -1.715
   66    HB2  CYS  65           HB2      CYS  65  -5.739  -6.444  -3.486
   67    HB3  CYS  65           HB1      CYS  65  -6.209  -5.689  -1.964
   68    H    GLY  66           HN       GLY  66  -2.172  -7.173  -0.993
   69    HA2  GLY  66           HA2      GLY  66  -0.377  -8.493  -1.649
   70    HA3  GLY  66           HA1      GLY  66  -1.299  -9.022  -3.043
   71    H    LYS  67           HN       LYS  67  -1.361  -5.662  -2.944
   72    HA   LYS  67           HA       LYS  67   0.795  -5.578  -4.920
   73    HB2  LYS  67           HB2      LYS  67  -1.186  -3.399  -4.248
   74    HB3  LYS  67           HB1      LYS  67  -0.062  -3.418  -5.600
   75    HG2  LYS  67           HG2      LYS  67  -2.460  -5.169  -5.184
   76    HG3  LYS  67           HG1      LYS  67  -2.207  -3.954  -6.433
   77    HD2  LYS  67           HD2      LYS  67  -0.582  -6.476  -6.137
   78    HD3  LYS  67           HD1      LYS  67  -1.935  -6.282  -7.250
   79    HE2  LYS  67           HE2      LYS  67  -0.750  -4.514  -8.417
   80    HE3  LYS  67           HE1      LYS  67   0.581  -4.617  -7.265
   81    HZ1  LYS  67           HZ1      LYS  67  -0.272  -6.761  -9.138
   82    HZ2  LYS  67           HZ2      LYS  67   0.973  -6.898  -8.001
   83    HZ3  LYS  67           HZ3      LYS  67   1.114  -5.802  -9.287
   84    H    ARG  68           HN       ARG  68   2.512  -4.138  -4.757
   85    HA   ARG  68           HA       ARG  68   3.022  -3.338  -1.984
   86    HB2  ARG  68           HB2      ARG  68   5.397  -3.889  -2.468
   87    HB3  ARG  68           HB1      ARG  68   4.304  -5.267  -2.452
   88    HG2  ARG  68           HG2      ARG  68   4.247  -5.233  -4.871
   89    HG3  ARG  68           HG1      ARG  68   5.331  -3.838  -4.871
   90    HD2  ARG  68           HD2      ARG  68   7.075  -5.156  -3.833
   91    HD3  ARG  68           HD1      ARG  68   5.985  -6.536  -3.705
   92    HE   ARG  68           HE       ARG  68   6.952  -5.425  -6.264
   93   HH11  ARG  68          HH11      ARG  68   5.999  -8.129  -4.247
   94   HH12  ARG  68          HH12      ARG  68   6.237  -9.314  -5.501
   95   HH21  ARG  68          HH21      ARG  68   7.252  -6.972  -7.916
   96   HH22  ARG  68          HH22      ARG  68   6.970  -8.658  -7.578
   97    H    PHE  69           HN       PHE  69   4.872  -1.838  -1.743
   98    HA   PHE  69           HA       PHE  69   5.219   0.157  -3.813
   99    HB2  PHE  69           HB2      PHE  69   3.594   0.547  -1.345
  100    HB3  PHE  69           HB1      PHE  69   4.620   1.875  -1.882
  101    HD1  PHE  69           HD1      PHE  69   4.275   2.866  -4.119
  102    HD2  PHE  69           HD2      PHE  69   1.600  -0.020  -2.502
  103    HE1  PHE  69           HE1      PHE  69   2.582   3.514  -5.779
  104    HE2  PHE  69           HE2      PHE  69  -0.098   0.623  -4.162
  105    HZ   PHE  69           HZ       PHE  69   0.392   2.391  -5.802
  106    H    VAL  70           HN       VAL  70   6.939   1.497  -3.418
  107    HA   VAL  70           HA       VAL  70   8.972   0.363  -1.750
  108    HB   VAL  70           HB       VAL  70   8.961   2.663  -3.708
  109   HG11  VAL  70          HG11      VAL  70  11.394   2.544  -3.583
  110   HG12  VAL  70          HG12      VAL  70  11.250   1.372  -2.273
  111   HG13  VAL  70          HG13      VAL  70  10.653   3.015  -2.055
  112   HG21  VAL  70          HG21      VAL  70   8.600   0.463  -4.723
  113   HG22  VAL  70          HG22      VAL  70  10.074  -0.128  -3.956
  114   HG23  VAL  70          HG23      VAL  70  10.161   1.142  -5.178
  115    H    GLN  71           HN       GLN  71   6.851   3.147  -1.801
  116    HA   GLN  71           HA       GLN  71   8.389   4.465   0.262
  117    HB2  GLN  71           HB2      GLN  71   6.042   5.368  -1.404
  118    HB3  GLN  71           HB1      GLN  71   6.998   6.363  -0.319
  119    HG2  GLN  71           HG2      GLN  71   8.998   5.731  -1.734
  120    HG3  GLN  71           HG1      GLN  71   7.838   5.108  -2.894
  121   HE21  GLN  71          HE21      GLN  71   6.618   6.498  -4.100
  122   HE22  GLN  71          HE22      GLN  71   6.900   8.206  -4.141
  123    H    SER  72           HN       SER  72   7.661   4.740   2.289
  124    HA   SER  72           HA       SER  72   5.771   3.119   3.473
  125    HB2  SER  72           HB2      SER  72   6.446   5.885   4.482
  126    HB3  SER  72           HB1      SER  72   6.067   4.445   5.426
  127    HG   SER  72           HG       SER  72   8.045   3.648   5.069
  128    H    SER  73           HN       SER  73   5.425   6.517   2.529
  129    HA   SER  73           HA       SER  73   2.765   6.844   3.302
  130    HB2  SER  73           HB2      SER  73   4.106   8.286   1.014
  131    HB3  SER  73           HB1      SER  73   2.840   8.892   2.085
  132    HG   SER  73           HG       SER  73   4.754   9.735   2.815
  133    H    GLN  74           HN       GLN  74   4.169   5.602   0.321
  134    HA   GLN  74           HA       GLN  74   1.812   5.940  -1.240
  135    HB2  GLN  74           HB2      GLN  74   4.406   4.474  -1.665
  136    HB3  GLN  74           HB1      GLN  74   3.092   4.403  -2.840
  137    HG2  GLN  74           HG2      GLN  74   4.252   6.998  -1.888
  138    HG3  GLN  74           HG1      GLN  74   4.936   6.098  -3.241
  139   HE21  GLN  74          HE21      GLN  74   2.237   7.974  -2.106
  140   HE22  GLN  74          HE22      GLN  74   1.492   8.191  -3.657
  141    H    LEU  75           HN       LEU  75   3.161   3.413   0.746
  142    HA   LEU  75           HA       LEU  75   1.501   1.318  -0.164
  143    HB2  LEU  75           HB2      LEU  75   3.432   0.786   1.187
  144    HB3  LEU  75           HB1      LEU  75   2.836   1.791   2.505
  145    HG   LEU  75           HG       LEU  75   0.990   0.250   2.888
  146   HD11  LEU  75          HD11      LEU  75   0.804  -1.818   1.650
  147   HD12  LEU  75          HD12      LEU  75   2.173  -1.348   0.641
  148   HD13  LEU  75          HD13      LEU  75   0.672  -0.417   0.583
  149   HD21  LEU  75          HD21      LEU  75   2.969  -0.252   4.119
  150   HD22  LEU  75          HD22      LEU  75   3.689  -1.069   2.730
  151   HD23  LEU  75          HD23      LEU  75   2.290  -1.775   3.544
  152    H    ALA  76           HN       ALA  76   1.211   3.352   2.715
  153    HA   ALA  76           HA       ALA  76  -1.451   2.551   3.250
  154    HB1  ALA  76           HB1      ALA  76  -0.031   5.079   4.118
  155    HB2  ALA  76           HB2      ALA  76   0.001   3.535   4.968
  156    HB3  ALA  76           HB3      ALA  76  -1.513   4.425   4.817
  157    H    ASN  77           HN       ASN  77  -0.065   4.999   1.135
  158    HA   ASN  77           HA       ASN  77  -2.467   6.336   0.495
  159    HB2  ASN  77           HB2      ASN  77  -0.346   7.165  -0.344
  160    HB3  ASN  77           HB1      ASN  77  -0.067   5.676  -1.235
  161   HD21  ASN  77          HD21      ASN  77  -1.032   5.372  -3.193
  162   HD22  ASN  77          HD22      ASN  77  -1.922   6.618  -4.018
  163    H    HIS  78           HN       HIS  78  -1.024   3.353  -0.672
  164    HA   HIS  78           HA       HIS  78  -3.047   2.632  -2.507
  165    HB2  HIS  78           HB2      HIS  78  -0.917   1.592  -2.661
  166    HB3  HIS  78           HB1      HIS  78  -0.941   1.114  -0.965
  167    HD1  HIS  78           HD1      HIS  78  -2.173   0.085  -4.356
  168    HD2  HIS  78           HD2      HIS  78  -2.294  -1.181  -0.403
  169    HE1  HIS  78           HE1      HIS  78  -2.977  -2.314  -4.408
  170    H    ILE  79           HN       ILE  79  -2.549   1.938   0.932
  171    HA   ILE  79           HA       ILE  79  -4.781   0.233   1.264
  172    HB   ILE  79           HB       ILE  79  -3.526   1.997   3.374
  173   HG12  ILE  79          HG12      ILE  79  -1.831   0.646   2.178
  174   HG13  ILE  79          HG11      ILE  79  -2.027   0.139   3.862
  175   HG21  ILE  79          HG21      ILE  79  -5.639   0.976   4.022
  176   HG22  ILE  79          HG22      ILE  79  -4.297   0.247   4.906
  177   HG23  ILE  79          HG23      ILE  79  -5.029  -0.609   3.548
  178   HD11  ILE  79          HD11      ILE  79  -1.814  -1.765   2.403
  179   HD12  ILE  79          HD12      ILE  79  -3.179  -1.205   1.435
  180   HD13  ILE  79          HD13      ILE  79  -3.431  -1.710   3.106
  181    H    ARG  80           HN       ARG  80  -4.364   3.740   1.411
  182    HA   ARG  80           HA       ARG  80  -6.730   4.476   2.591
  183    HB2  ARG  80           HB2      ARG  80  -4.805   5.665   0.694
  184    HB3  ARG  80           HB1      ARG  80  -6.354   6.453   0.864
  185    HG2  ARG  80           HG2      ARG  80  -4.489   5.825   3.130
  186    HG3  ARG  80           HG1      ARG  80  -4.636   7.389   2.336
  187    HD2  ARG  80           HD2      ARG  80  -6.641   5.950   4.041
  188    HD3  ARG  80           HD1      ARG  80  -5.965   7.561   4.269
  189    HE   ARG  80           HE       ARG  80  -7.782   6.931   2.033
  190   HH11  ARG  80          HH11      ARG  80  -6.833   8.968   4.727
  191   HH12  ARG  80          HH12      ARG  80  -8.101  10.133   4.448
  192   HH21  ARG  80          HH21      ARG  80  -9.437   8.431   1.663
  193   HH22  ARG  80          HH22      ARG  80  -9.581   9.833   2.693
  194    H    HIS  81           HN       HIS  81  -6.208   3.224  -0.628
  195    HA   HIS  81           HA       HIS  81  -8.837   4.074  -1.512
  196    HB2  HIS  81           HB2      HIS  81  -6.641   3.771  -2.947
  197    HB3  HIS  81           HB1      HIS  81  -7.218   2.110  -3.069
  198    HD1  HIS  81           HD1      HIS  81 -10.287   3.647  -2.938
  199    HD2  HIS  81           HD2      HIS  81  -7.269   3.730  -5.804
  200    HE1  HIS  81           HE1      HIS  81 -11.393   4.378  -5.074
  201    HE2  HIS  81           HE2      HIS  81  -9.500   4.665  -6.712
  202    H    HIS  82           HN       HIS  82  -7.825   1.803   0.524
  203    HA   HIS  82           HA       HIS  82  -9.784  -0.212  -0.241
  204    HB2  HIS  82           HB2      HIS  82  -7.673  -0.017   1.880
  205    HB3  HIS  82           HB1      HIS  82  -8.986  -1.157   2.088
  206    HD1  HIS  82           HD1      HIS  82  -9.123  -1.983  -1.013
  207    HD2  HIS  82           HD2      HIS  82  -5.739  -1.865   1.417
  208    HE1  HIS  82           HE1      HIS  82  -7.441  -3.582  -2.041
  209    H    ASP  83           HN       ASP  83 -11.162   1.852  -0.133
  210    HA   ASP  83           HA       ASP  83 -11.910   3.045   2.277
  211    HB2  ASP  83           HB2      ASP  83 -13.694   2.692  -0.138
  212    HB3  ASP  83           HB1      ASP  83 -13.761   3.978   1.068
  Start of MODEL   11
    1    H1   LYS  58           HT1      LYS  58  12.293  -4.561  -1.645
    2    H2   LYS  58           HT2      LYS  58  11.777  -5.969  -0.861
    3    H3   LYS  58           HT3      LYS  58  12.313  -4.641   0.051
    4    HA   LYS  58           HA       LYS  58  10.451  -3.323  -0.862
    5    HB2  LYS  58           HB2      LYS  58   9.420  -6.031  -1.728
    6    HB3  LYS  58           HB1      LYS  58   8.648  -4.472  -1.971
    7    HG2  LYS  58           HG2      LYS  58  10.346  -3.813  -3.537
    8    HG3  LYS  58           HG1      LYS  58  11.261  -5.288  -3.220
    9    HD2  LYS  58           HD2      LYS  58   9.381  -6.616  -4.081
   10    HD3  LYS  58           HD1      LYS  58   8.503  -5.127  -4.431
   11    HE2  LYS  58           HE2      LYS  58  10.230  -4.458  -6.002
   12    HE3  LYS  58           HE1      LYS  58  11.164  -5.904  -5.615
   13    HZ1  LYS  58           HZ1      LYS  58   9.341  -7.256  -6.471
   14    HZ2  LYS  58           HZ2      LYS  58   9.926  -6.200  -7.657
   15    HZ3  LYS  58           HZ3      LYS  58   8.466  -5.859  -6.868
   16    HA   PRO  59           HA       PRO  59   9.401  -5.045   3.199
   17    HB2  PRO  59           HB2      PRO  59   9.170  -2.398   4.225
   18    HB3  PRO  59           HB1      PRO  59  10.500  -3.537   4.467
   19    HG2  PRO  59           HG2      PRO  59  10.654  -1.151   3.039
   20    HG3  PRO  59           HG1      PRO  59  11.802  -2.496   2.923
   21    HD2  PRO  59           HD2      PRO  59   9.544  -1.760   1.114
   22    HD3  PRO  59           HD1      PRO  59  11.132  -2.454   0.718
   23    H    TYR  60           HN       TYR  60   7.830  -2.238   1.693
   24    HA   TYR  60           HA       TYR  60   5.459  -2.626   3.312
   25    HB2  TYR  60           HB2      TYR  60   6.335  -0.501   1.374
   26    HB3  TYR  60           HB1      TYR  60   4.692  -0.557   2.007
   27    HD1  TYR  60           HD1      TYR  60   8.234  -0.127   2.900
   28    HD2  TYR  60           HD2      TYR  60   4.210   0.115   4.253
   29    HE1  TYR  60           HE1      TYR  60   8.985   1.104   4.895
   30    HE2  TYR  60           HE2      TYR  60   4.946   1.340   6.253
   31    HH   TYR  60           HH       TYR  60   8.071   2.654   6.548
   32    H    VAL  61           HN       VAL  61   4.127  -4.161   2.692
   33    HA   VAL  61           HA       VAL  61   3.291  -4.226  -0.122
   34    HB   VAL  61           HB       VAL  61   3.384  -6.616   1.731
   35   HG11  VAL  61          HG11      VAL  61   2.953  -6.429  -1.247
   36   HG12  VAL  61          HG12      VAL  61   1.701  -6.717  -0.037
   37   HG13  VAL  61          HG13      VAL  61   2.977  -7.907  -0.283
   38   HG21  VAL  61          HG21      VAL  61   5.298  -7.380   0.393
   39   HG22  VAL  61          HG22      VAL  61   5.649  -5.886   1.262
   40   HG23  VAL  61          HG23      VAL  61   5.293  -5.838  -0.464
   41    H    CYS  62           HN       CYS  62   1.127  -4.551  -0.494
   42    HA   CYS  62           HA       CYS  62  -0.689  -3.833   1.630
   43    HB2  CYS  62           HB2      CYS  62  -1.026  -2.981  -0.644
   44    HB3  CYS  62           HB1      CYS  62  -1.189  -4.615  -1.253
   45    H    GLU  63           HN       GLU  63  -1.015  -5.410   3.084
   46    HA   GLU  63           HA       GLU  63  -1.102  -8.171   2.605
   47    HB2  GLU  63           HB2      GLU  63  -0.870  -7.084   4.822
   48    HB3  GLU  63           HB1      GLU  63  -2.540  -6.548   4.720
   49    HG2  GLU  63           HG2      GLU  63  -3.244  -8.918   4.666
   50    HG3  GLU  63           HG1      GLU  63  -1.559  -9.384   4.903
   51    H    ARG  64           HN       ARG  64  -3.315  -5.677   1.900
   52    HA   ARG  64           HA       ARG  64  -5.680  -7.280   2.107
   53    HB2  ARG  64           HB2      ARG  64  -5.412  -4.478   1.040
   54    HB3  ARG  64           HB1      ARG  64  -6.863  -5.260   1.649
   55    HG2  ARG  64           HG2      ARG  64  -5.767  -5.445   3.866
   56    HG3  ARG  64           HG1      ARG  64  -4.424  -4.504   3.228
   57    HD2  ARG  64           HD2      ARG  64  -6.035  -2.680   2.708
   58    HD3  ARG  64           HD1      ARG  64  -7.287  -3.619   3.539
   59    HE   ARG  64           HE       ARG  64  -4.822  -2.942   4.979
   60   HH11  ARG  64          HH11      ARG  64  -8.285  -2.567   4.573
   61   HH12  ARG  64          HH12      ARG  64  -8.499  -1.735   6.084
   62   HH21  ARG  64          HH21      ARG  64  -5.109  -1.860   6.966
   63   HH22  ARG  64          HH22      ARG  64  -6.689  -1.326   7.439
   64    H    CYS  65           HN       CYS  65  -3.590  -6.161  -0.603
   65    HA   CYS  65           HA       CYS  65  -5.230  -8.034  -2.175
   66    HB2  CYS  65           HB2      CYS  65  -5.403  -6.636  -4.082
   67    HB3  CYS  65           HB1      CYS  65  -5.930  -5.685  -2.692
   68    H    GLY  66           HN       GLY  66  -2.206  -7.237  -1.121
   69    HA2  GLY  66           HA2      GLY  66  -0.420  -8.734  -1.456
   70    HA3  GLY  66           HA1      GLY  66  -1.106  -9.168  -3.018
   71    H    LYS  67           HN       LYS  67  -1.351  -6.069  -3.415
   72    HA   LYS  67           HA       LYS  67   1.135  -5.929  -4.862
   73    HB2  LYS  67           HB2      LYS  67  -1.087  -3.911  -4.559
   74    HB3  LYS  67           HB1      LYS  67   0.304  -3.711  -5.617
   75    HG2  LYS  67           HG2      LYS  67  -1.831  -5.821  -5.811
   76    HG3  LYS  67           HG1      LYS  67  -1.552  -4.468  -6.908
   77    HD2  LYS  67           HD2      LYS  67   0.608  -5.394  -7.534
   78    HD3  LYS  67           HD1      LYS  67   0.367  -6.737  -6.413
   79    HE2  LYS  67           HE2      LYS  67  -1.469  -6.120  -8.723
   80    HE3  LYS  67           HE1      LYS  67  -0.126  -7.251  -8.817
   81    HZ1  LYS  67           HZ1      LYS  67  -1.161  -8.559  -7.054
   82    HZ2  LYS  67           HZ2      LYS  67  -2.199  -8.398  -8.385
   83    HZ3  LYS  67           HZ3      LYS  67  -2.462  -7.469  -6.990
   84    H    ARG  68           HN       ARG  68   2.842  -4.513  -4.539
   85    HA   ARG  68           HA       ARG  68   2.986  -3.468  -1.809
   86    HB2  ARG  68           HB2      ARG  68   5.392  -4.113  -1.918
   87    HB3  ARG  68           HB1      ARG  68   4.264  -5.463  -1.917
   88    HG2  ARG  68           HG2      ARG  68   4.466  -5.503  -4.383
   89    HG3  ARG  68           HG1      ARG  68   5.751  -4.304  -4.221
   90    HD2  ARG  68           HD2      ARG  68   6.743  -6.492  -4.420
   91    HD3  ARG  68           HD1      ARG  68   6.987  -5.897  -2.777
   92    HE   ARG  68           HE       ARG  68   5.650  -7.594  -1.986
   93   HH11  ARG  68          HH11      ARG  68   5.327  -7.378  -5.463
   94   HH12  ARG  68          HH12      ARG  68   4.458  -8.875  -5.612
   95   HH21  ARG  68          HH21      ARG  68   4.497  -9.567  -2.164
   96   HH22  ARG  68          HH22      ARG  68   3.976 -10.115  -3.731
   97    H    PHE  69           HN       PHE  69   4.764  -1.884  -1.483
   98    HA   PHE  69           HA       PHE  69   5.191  -0.106  -3.747
   99    HB2  PHE  69           HB2      PHE  69   3.373   0.385  -1.489
  100    HB3  PHE  69           HB1      PHE  69   4.449   1.723  -1.903
  101    HD1  PHE  69           HD1      PHE  69   4.355   2.720  -4.152
  102    HD2  PHE  69           HD2      PHE  69   1.592  -0.262  -2.906
  103    HE1  PHE  69           HE1      PHE  69   2.853   3.338  -6.005
  104    HE2  PHE  69           HE2      PHE  69   0.091   0.345  -4.758
  105    HZ   PHE  69           HZ       PHE  69   0.781   2.107  -6.370
  106    H    VAL  70           HN       VAL  70   6.799   1.247  -3.560
  107    HA   VAL  70           HA       VAL  70   8.997   0.466  -1.941
  108    HB   VAL  70           HB       VAL  70   8.851   3.031  -3.508
  109   HG11  VAL  70          HG11      VAL  70  10.831   2.700  -2.185
  110   HG12  VAL  70          HG12      VAL  70  11.230   2.556  -3.898
  111   HG13  VAL  70          HG13      VAL  70  11.079   1.109  -2.902
  112   HG21  VAL  70          HG21      VAL  70   7.948   1.313  -4.970
  113   HG22  VAL  70          HG22      VAL  70   9.353   0.292  -4.659
  114   HG23  VAL  70          HG23      VAL  70   9.546   1.824  -5.512
  115    H    GLN  71           HN       GLN  71   6.647   3.077  -1.912
  116    HA   GLN  71           HA       GLN  71   8.177   4.498   0.107
  117    HB2  GLN  71           HB2      GLN  71   5.714   5.490  -1.276
  118    HB3  GLN  71           HB1      GLN  71   7.106   6.381  -0.687
  119    HG2  GLN  71           HG2      GLN  71   8.461   5.349  -2.515
  120    HG3  GLN  71           HG1      GLN  71   6.960   4.676  -3.141
  121   HE21  GLN  71          HE21      GLN  71   8.868   7.528  -2.740
  122   HE22  GLN  71          HE22      GLN  71   7.903   8.564  -3.745
  123    H    SER  72           HN       SER  72   7.476   4.507   2.148
  124    HA   SER  72           HA       SER  72   5.398   2.948   3.128
  125    HB2  SER  72           HB2      SER  72   5.651   4.371   5.205
  126    HB3  SER  72           HB1      SER  72   7.154   3.681   4.592
  127    HG   SER  72           HG       SER  72   7.286   5.942   5.163
  128    H    SER  73           HN       SER  73   5.463   6.374   2.324
  129    HA   SER  73           HA       SER  73   2.864   6.993   3.204
  130    HB2  SER  73           HB2      SER  73   3.196   8.967   1.592
  131    HB3  SER  73           HB1      SER  73   4.349   8.795   2.917
  132    HG   SER  73           HG       SER  73   5.141   9.156   0.634
  133    H    GLN  74           HN       GLN  74   4.120   5.893   0.078
  134    HA   GLN  74           HA       GLN  74   1.639   6.387  -1.282
  135    HB2  GLN  74           HB2      GLN  74   3.969   6.396  -2.333
  136    HB3  GLN  74           HB1      GLN  74   3.911   4.635  -2.229
  137    HG2  GLN  74           HG2      GLN  74   3.280   5.262  -4.429
  138    HG3  GLN  74           HG1      GLN  74   1.838   4.687  -3.596
  139   HE21  GLN  74          HE21      GLN  74   0.449   5.794  -4.977
  140   HE22  GLN  74          HE22      GLN  74   0.289   7.516  -4.950
  141    H    LEU  75           HN       LEU  75   3.235   3.820   0.389
  142    HA   LEU  75           HA       LEU  75   1.527   1.702  -0.404
  143    HB2  LEU  75           HB2      LEU  75   3.797   1.426   0.572
  144    HB3  LEU  75           HB1      LEU  75   3.197   2.053   2.103
  145    HG   LEU  75           HG       LEU  75   3.493  -0.516   1.752
  146   HD11  LEU  75          HD11      LEU  75   0.965   0.609   2.931
  147   HD12  LEU  75          HD12      LEU  75   2.530   0.545   3.736
  148   HD13  LEU  75          HD13      LEU  75   1.693  -0.949   3.314
  149   HD21  LEU  75          HD21      LEU  75   2.259  -0.696  -0.298
  150   HD22  LEU  75          HD22      LEU  75   0.840   0.025   0.464
  151   HD23  LEU  75          HD23      LEU  75   1.403  -1.571   0.975
  152    H    ALA  76           HN       ALA  76   1.664   3.717   2.497
  153    HA   ALA  76           HA       ALA  76  -0.782   2.970   3.621
  154    HB1  ALA  76           HB1      ALA  76   0.846   4.348   4.816
  155    HB2  ALA  76           HB2      ALA  76  -0.737   5.125   4.785
  156    HB3  ALA  76           HB3      ALA  76   0.542   5.687   3.706
  157    H    ASN  77           HN       ASN  77  -0.053   5.437   1.169
  158    HA   ASN  77           HA       ASN  77  -2.671   6.399   0.841
  159    HB2  ASN  77           HB2      ASN  77  -0.747   7.463  -0.221
  160    HB3  ASN  77           HB1      ASN  77  -0.488   6.041  -1.227
  161   HD21  ASN  77          HD21      ASN  77  -0.750   6.995  -3.160
  162   HD22  ASN  77          HD22      ASN  77  -2.262   7.661  -3.722
  163    H    HIS  78           HN       HIS  78  -1.020   3.642  -0.565
  164    HA   HIS  78           HA       HIS  78  -2.974   2.740  -2.341
  165    HB2  HIS  78           HB2      HIS  78  -0.684   1.934  -2.346
  166    HB3  HIS  78           HB1      HIS  78  -0.890   1.245  -0.738
  167    HD1  HIS  78           HD1      HIS  78  -1.304   0.480  -4.312
  168    HD2  HIS  78           HD2      HIS  78  -2.543  -1.079  -0.663
  169    HE1  HIS  78           HE1      HIS  78  -1.969  -1.910  -4.764
  170    H    ILE  79           HN       ILE  79  -2.324   1.578   0.985
  171    HA   ILE  79           HA       ILE  79  -4.625  -0.041   1.099
  172    HB   ILE  79           HB       ILE  79  -2.696   0.994   3.144
  173   HG12  ILE  79          HG12      ILE  79  -2.431  -1.518   3.409
  174   HG13  ILE  79          HG11      ILE  79  -3.422  -1.685   1.970
  175   HG21  ILE  79          HG21      ILE  79  -5.134  -0.660   3.733
  176   HG22  ILE  79          HG22      ILE  79  -4.839   0.991   4.278
  177   HG23  ILE  79          HG23      ILE  79  -3.821  -0.326   4.860
  178   HD11  ILE  79          HD11      ILE  79  -0.737  -0.365   2.211
  179   HD12  ILE  79          HD12      ILE  79  -1.742  -0.324   0.764
  180   HD13  ILE  79          HD13      ILE  79  -1.130  -1.864   1.369
  181    H    ARG  80           HN       ARG  80  -4.094   3.372   1.980
  182    HA   ARG  80           HA       ARG  80  -6.486   3.894   3.249
  183    HB2  ARG  80           HB2      ARG  80  -4.576   5.396   1.566
  184    HB3  ARG  80           HB1      ARG  80  -6.142   6.119   1.827
  185    HG2  ARG  80           HG2      ARG  80  -4.376   5.164   4.054
  186    HG3  ARG  80           HG1      ARG  80  -4.367   6.812   3.435
  187    HD2  ARG  80           HD2      ARG  80  -6.783   6.975   3.965
  188    HD3  ARG  80           HD1      ARG  80  -6.705   5.362   4.668
  189    HE   ARG  80           HE       ARG  80  -4.757   6.849   5.951
  190   HH11  ARG  80          HH11      ARG  80  -8.254   6.974   5.572
  191   HH12  ARG  80          HH12      ARG  80  -8.507   7.764   7.098
  192   HH21  ARG  80          HH21      ARG  80  -5.103   7.885   7.946
  193   HH22  ARG  80          HH22      ARG  80  -6.719   8.291   8.444
  194    H    HIS  81           HN       HIS  81  -5.914   3.145  -0.110
  195    HA   HIS  81           HA       HIS  81  -8.501   4.079  -0.996
  196    HB2  HIS  81           HB2      HIS  81  -6.492   4.032  -2.486
  197    HB3  HIS  81           HB1      HIS  81  -6.544   2.274  -2.439
  198    HD1  HIS  81           HD1      HIS  81  -7.770   1.230  -4.321
  199    HD2  HIS  81           HD2      HIS  81  -9.057   5.120  -3.581
  200    HE1  HIS  81           HE1      HIS  81  -9.460   1.740  -6.112
  201    HE2  HIS  81           HE2      HIS  81 -10.107   4.149  -5.740
  202    H    HIS  82           HN       HIS  82  -7.462   1.466   0.761
  203    HA   HIS  82           HA       HIS  82  -9.426  -0.414  -0.306
  204    HB2  HIS  82           HB2      HIS  82  -7.139  -0.627   1.616
  205    HB3  HIS  82           HB1      HIS  82  -8.417  -1.827   1.676
  206    HD1  HIS  82           HD1      HIS  82  -8.514  -3.555  -0.266
  207    HD2  HIS  82           HD2      HIS  82  -5.509  -0.698  -0.625
  208    HE1  HIS  82           HE1      HIS  82  -7.009  -4.327  -2.160
  209    H    ASP  83           HN       ASP  83  -9.926   2.147   1.295
  210    HA   ASP  83           HA       ASP  83 -11.552   0.992   3.447
  211    HB2  ASP  83           HB2      ASP  83 -10.112   2.863   4.112
  212    HB3  ASP  83           HB1      ASP  83 -10.835   3.879   2.860
  Start of MODEL   12
    1    H1   LYS  58           HT1      LYS  58  12.888  -2.302  -0.257
    2    H2   LYS  58           HT2      LYS  58  11.757  -3.353  -0.966
    3    H3   LYS  58           HT3      LYS  58  12.566  -3.810   0.455
    4    HA   LYS  58           HA       LYS  58  11.498  -2.040   1.673
    5    HB2  LYS  58           HB2      LYS  58  10.128  -1.553  -0.977
    6    HB3  LYS  58           HB1      LYS  58   9.561  -0.891   0.550
    7    HG2  LYS  58           HG2      LYS  58  12.263  -0.355  -0.671
    8    HG3  LYS  58           HG1      LYS  58  10.869   0.726  -0.754
    9    HD2  LYS  58           HD2      LYS  58  10.845   0.829   1.713
   10    HD3  LYS  58           HD1      LYS  58  12.298  -0.172   1.747
   11    HE2  LYS  58           HE2      LYS  58  12.068   2.528   0.423
   12    HE3  LYS  58           HE1      LYS  58  12.785   2.234   2.005
   13    HZ1  LYS  58           HZ1      LYS  58  14.523   2.369   0.417
   14    HZ2  LYS  58           HZ2      LYS  58  13.777   1.262  -0.622
   15    HZ3  LYS  58           HZ3      LYS  58  14.400   0.740   0.869
   16    HA   PRO  59           HA       PRO  59   8.828  -5.570   2.226
   17    HB2  PRO  59           HB2      PRO  59   8.532  -4.939   4.969
   18    HB3  PRO  59           HB1      PRO  59   9.682  -6.073   4.254
   19    HG2  PRO  59           HG2      PRO  59  10.314  -3.669   5.538
   20    HG3  PRO  59           HG1      PRO  59  11.401  -4.624   4.516
   21    HD2  PRO  59           HD2      PRO  59   9.831  -2.180   3.857
   22    HD3  PRO  59           HD1      PRO  59  11.419  -2.704   3.254
   23    H    TYR  60           HN       TYR  60   7.855  -2.687   1.673
   24    HA   TYR  60           HA       TYR  60   5.443  -2.533   3.256
   25    HB2  TYR  60           HB2      TYR  60   6.772  -0.772   1.239
   26    HB3  TYR  60           HB1      TYR  60   5.068  -0.528   1.616
   27    HD1  TYR  60           HD1      TYR  60   8.374  -0.905   3.340
   28    HD2  TYR  60           HD2      TYR  60   4.496   0.849   3.353
   29    HE1  TYR  60           HE1      TYR  60   8.981   0.418   5.328
   30    HE2  TYR  60           HE2      TYR  60   5.090   2.166   5.340
   31    HH   TYR  60           HH       TYR  60   6.621   2.207   7.136
   32    H    VAL  61           HN       VAL  61   4.281  -4.310   2.668
   33    HA   VAL  61           HA       VAL  61   3.251  -4.340  -0.083
   34    HB   VAL  61           HB       VAL  61   3.494  -6.646   1.861
   35   HG11  VAL  61          HG11      VAL  61   1.545  -6.872   0.424
   36   HG12  VAL  61          HG12      VAL  61   2.786  -8.041  -0.025
   37   HG13  VAL  61          HG13      VAL  61   2.546  -6.592  -1.000
   38   HG21  VAL  61          HG21      VAL  61   5.655  -6.033   1.028
   39   HG22  VAL  61          HG22      VAL  61   5.037  -5.952  -0.620
   40   HG23  VAL  61          HG23      VAL  61   5.136  -7.506   0.209
   41    H    CYS  62           HN       CYS  62   1.105  -4.157  -0.337
   42    HA   CYS  62           HA       CYS  62  -0.644  -3.852   1.928
   43    HB2  CYS  62           HB2      CYS  62  -1.181  -2.699  -0.173
   44    HB3  CYS  62           HB1      CYS  62  -1.267  -4.234  -1.012
   45    H    GLU  63           HN       GLU  63  -0.559  -5.737   3.129
   46    HA   GLU  63           HA       GLU  63  -0.591  -8.330   2.020
   47    HB2  GLU  63           HB2      GLU  63   0.107  -7.642   4.369
   48    HB3  GLU  63           HB1      GLU  63  -1.604  -7.581   4.763
   49    HG2  GLU  63           HG2      GLU  63  -1.798  -9.957   4.129
   50    HG3  GLU  63           HG1      GLU  63  -0.057  -9.994   3.850
   51    H    ARG  64           HN       ARG  64  -3.000  -5.988   2.409
   52    HA   ARG  64           HA       ARG  64  -5.296  -7.598   2.490
   53    HB2  ARG  64           HB2      ARG  64  -4.968  -4.842   1.305
   54    HB3  ARG  64           HB1      ARG  64  -6.476  -5.590   1.808
   55    HG2  ARG  64           HG2      ARG  64  -5.687  -5.643   4.109
   56    HG3  ARG  64           HG1      ARG  64  -4.173  -4.904   3.610
   57    HD2  ARG  64           HD2      ARG  64  -5.695  -3.266   4.587
   58    HD3  ARG  64           HD1      ARG  64  -5.353  -2.907   2.889
   59    HE   ARG  64           HE       ARG  64  -7.601  -4.153   2.535
   60   HH11  ARG  64          HH11      ARG  64  -6.815  -2.099   5.267
   61   HH12  ARG  64          HH12      ARG  64  -8.448  -1.528   5.467
   62   HH21  ARG  64          HH21      ARG  64  -9.737  -3.431   2.801
   63   HH22  ARG  64          HH22      ARG  64 -10.127  -2.326   4.088
   64    H    CYS  65           HN       CYS  65  -3.658  -6.032  -0.382
   65    HA   CYS  65           HA       CYS  65  -5.188  -8.035  -1.945
   66    HB2  CYS  65           HB2      CYS  65  -5.520  -6.499  -3.747
   67    HB3  CYS  65           HB1      CYS  65  -6.055  -5.723  -2.251
   68    H    GLY  66           HN       GLY  66  -2.137  -7.290  -1.038
   69    HA2  GLY  66           HA2      GLY  66  -0.264  -8.528  -1.631
   70    HA3  GLY  66           HA1      GLY  66  -1.129  -9.107  -3.050
   71    H    LYS  67           HN       LYS  67  -1.221  -5.710  -2.830
   72    HA   LYS  67           HA       LYS  67   0.828  -5.561  -4.897
   73    HB2  LYS  67           HB2      LYS  67  -1.252  -3.567  -4.022
   74    HB3  LYS  67           HB1      LYS  67  -0.018  -3.224  -5.226
   75    HG2  LYS  67           HG2      LYS  67  -2.270  -5.190  -5.385
   76    HG3  LYS  67           HG1      LYS  67  -1.942  -3.803  -6.423
   77    HD2  LYS  67           HD2      LYS  67   0.117  -4.925  -7.204
   78    HD3  LYS  67           HD1      LYS  67  -0.313  -6.329  -6.227
   79    HE2  LYS  67           HE2      LYS  67  -2.401  -6.553  -7.517
   80    HE3  LYS  67           HE1      LYS  67  -1.910  -5.190  -8.522
   81    HZ1  LYS  67           HZ1      LYS  67  -1.350  -7.195  -9.655
   82    HZ2  LYS  67           HZ2      LYS  67  -0.564  -7.829  -8.295
   83    HZ3  LYS  67           HZ3      LYS  67   0.099  -6.498  -9.116
   84    H    ARG  68           HN       ARG  68   2.704  -4.559  -4.695
   85    HA   ARG  68           HA       ARG  68   3.452  -3.674  -2.029
   86    HB2  ARG  68           HB2      ARG  68   5.080  -4.376  -4.464
   87    HB3  ARG  68           HB1      ARG  68   5.742  -3.937  -2.890
   88    HG2  ARG  68           HG2      ARG  68   4.536  -5.803  -1.893
   89    HG3  ARG  68           HG1      ARG  68   4.005  -6.287  -3.508
   90    HD2  ARG  68           HD2      ARG  68   6.866  -6.066  -2.611
   91    HD3  ARG  68           HD1      ARG  68   5.952  -7.564  -2.732
   92    HE   ARG  68           HE       ARG  68   6.720  -5.864  -5.017
   93   HH11  ARG  68          HH11      ARG  68   5.819  -8.958  -3.652
   94   HH12  ARG  68          HH12      ARG  68   6.102  -9.834  -5.130
   95   HH21  ARG  68          HH21      ARG  68   7.131  -7.007  -6.947
   96   HH22  ARG  68          HH22      ARG  68   6.869  -8.728  -7.004
   97    H    PHE  69           HN       PHE  69   4.791  -1.914  -1.699
   98    HA   PHE  69           HA       PHE  69   5.013   0.133  -3.755
   99    HB2  PHE  69           HB2      PHE  69   3.362   0.405  -1.304
  100    HB3  PHE  69           HB1      PHE  69   4.341   1.790  -1.781
  101    HD1  PHE  69           HD2      PHE  69   1.538  -0.374  -2.692
  102    HD2  PHE  69           HD1      PHE  69   3.843   3.025  -3.798
  103    HE1  PHE  69           HE2      PHE  69  -0.196   0.269  -4.318
  104    HE2  PHE  69           HE1      PHE  69   2.115   3.675  -5.419
  105    HZ   PHE  69           HZ       PHE  69   0.151   2.283  -5.749
  106    H    VAL  70           HN       VAL  70   6.735   1.320  -3.577
  107    HA   VAL  70           HA       VAL  70   8.807   0.332  -1.886
  108    HB   VAL  70           HB       VAL  70   8.734   2.364  -4.116
  109   HG11  VAL  70          HG11      VAL  70  10.477   2.940  -2.559
  110   HG12  VAL  70          HG12      VAL  70  11.156   2.324  -4.065
  111   HG13  VAL  70          HG13      VAL  70  11.109   1.300  -2.630
  112   HG21  VAL  70          HG21      VAL  70   9.814  -0.447  -3.976
  113   HG22  VAL  70          HG22      VAL  70   9.956   0.636  -5.358
  114   HG23  VAL  70          HG23      VAL  70   8.368   0.079  -4.835
  115    H    GLN  71           HN       GLN  71   6.742   3.169  -2.057
  116    HA   GLN  71           HA       GLN  71   8.487   4.602  -0.252
  117    HB2  GLN  71           HB2      GLN  71   6.023   5.488  -1.751
  118    HB3  GLN  71           HB1      GLN  71   7.148   6.503  -0.873
  119    HG2  GLN  71           HG2      GLN  71   8.928   5.586  -2.460
  120    HG3  GLN  71           HG1      GLN  71   7.570   5.045  -3.438
  121   HE21  GLN  71          HE21      GLN  71   9.634   6.981  -4.063
  122   HE22  GLN  71          HE22      GLN  71   8.823   8.470  -4.423
  123    H    SER  72           HN       SER  72   7.934   4.953   1.830
  124    HA   SER  72           HA       SER  72   6.325   3.123   3.095
  125    HB2  SER  72           HB2      SER  72   7.136   5.853   4.115
  126    HB3  SER  72           HB1      SER  72   6.640   4.480   5.107
  127    HG   SER  72           HG       SER  72   8.568   3.668   4.914
  128    H    SER  73           HN       SER  73   5.572   6.531   2.453
  129    HA   SER  73           HA       SER  73   3.005   6.428   3.636
  130    HB2  SER  73           HB2      SER  73   4.061   8.405   1.605
  131    HB3  SER  73           HB1      SER  73   2.714   8.652   2.717
  132    HG   SER  73           HG       SER  73   4.204   9.438   3.976
  133    H    GLN  74           HN       GLN  74   4.164   5.485   0.493
  134    HA   GLN  74           HA       GLN  74   1.673   6.043  -0.829
  135    HB2  GLN  74           HB2      GLN  74   4.134   4.558  -1.756
  136    HB3  GLN  74           HB1      GLN  74   2.737   4.929  -2.774
  137    HG2  GLN  74           HG2      GLN  74   4.609   6.896  -1.471
  138    HG3  GLN  74           HG1      GLN  74   4.473   6.530  -3.191
  139   HE21  GLN  74          HE21      GLN  74   2.709   7.294  -4.346
  140   HE22  GLN  74          HE22      GLN  74   1.703   8.569  -3.741
  141    H    LEU  75           HN       LEU  75   3.102   3.395   0.866
  142    HA   LEU  75           HA       LEU  75   1.369   1.364  -0.069
  143    HB2  LEU  75           HB2      LEU  75   3.287   0.713   1.212
  144    HB3  LEU  75           HB1      LEU  75   2.822   1.758   2.553
  145    HG   LEU  75           HG       LEU  75   0.931   0.319   3.066
  146   HD11  LEU  75          HD11      LEU  75   1.872  -1.362   0.760
  147   HD12  LEU  75          HD12      LEU  75   0.439  -0.329   0.773
  148   HD13  LEU  75          HD13      LEU  75   0.531  -1.728   1.848
  149   HD21  LEU  75          HD21      LEU  75   3.482  -1.246   2.701
  150   HD22  LEU  75          HD22      LEU  75   2.132  -1.710   3.736
  151   HD23  LEU  75          HD23      LEU  75   3.054  -0.252   4.096
  152    H    ALA  76           HN       ALA  76   1.230   3.352   2.839
  153    HA   ALA  76           HA       ALA  76  -1.409   2.782   3.551
  154    HB1  ALA  76           HB1      ALA  76  -1.342   4.822   4.871
  155    HB2  ALA  76           HB2      ALA  76   0.078   5.377   3.985
  156    HB3  ALA  76           HB3      ALA  76   0.186   3.956   5.025
  157    H    ASN  77           HN       ASN  77  -0.069   5.154   1.279
  158    HA   ASN  77           HA       ASN  77  -2.478   6.456   0.656
  159    HB2  ASN  77           HB2      ASN  77  -0.231   7.178  -0.152
  160    HB3  ASN  77           HB1      ASN  77  -0.219   5.803  -1.255
  161   HD21  ASN  77          HD21      ASN  77  -1.535   8.925  -0.578
  162   HD22  ASN  77          HD22      ASN  77  -2.306   9.167  -2.120
  163    H    HIS  78           HN       HIS  78  -0.996   3.526  -0.690
  164    HA   HIS  78           HA       HIS  78  -2.920   2.916  -2.621
  165    HB2  HIS  78           HB2      HIS  78  -0.851   1.752  -2.649
  166    HB3  HIS  78           HB1      HIS  78  -1.036   1.226  -0.979
  167    HD1  HIS  78           HD1      HIS  78  -2.456   0.505  -4.441
  168    HD2  HIS  78           HD2      HIS  78  -2.199  -1.160  -0.644
  169    HE1  HIS  78           HE1      HIS  78  -3.291  -1.871  -4.655
  170    H    ILE  79           HN       ILE  79  -2.707   1.827   0.763
  171    HA   ILE  79           HA       ILE  79  -5.103   0.285   0.594
  172    HB   ILE  79           HB       ILE  79  -3.451   1.168   2.953
  173   HG12  ILE  79          HG12      ILE  79  -3.598  -1.342   1.276
  174   HG13  ILE  79          HG11      ILE  79  -2.238  -0.223   1.404
  175   HG21  ILE  79          HG21      ILE  79  -4.627  -0.550   4.214
  176   HG22  ILE  79          HG22      ILE  79  -5.640  -0.900   2.814
  177   HG23  ILE  79          HG23      ILE  79  -5.759   0.664   3.620
  178   HD11  ILE  79          HD11      ILE  79  -1.881  -0.888   3.685
  179   HD12  ILE  79          HD12      ILE  79  -1.876  -2.298   2.616
  180   HD13  ILE  79          HD13      ILE  79  -3.290  -1.946   3.618
  181    H    ARG  80           HN       ARG  80  -4.403   3.621   1.608
  182    HA   ARG  80           HA       ARG  80  -7.012   4.085   2.590
  183    HB2  ARG  80           HB2      ARG  80  -4.742   5.796   1.688
  184    HB3  ARG  80           HB1      ARG  80  -6.302   6.506   2.007
  185    HG2  ARG  80           HG2      ARG  80  -6.196   5.340   4.268
  186    HG3  ARG  80           HG1      ARG  80  -4.493   5.078   3.902
  187    HD2  ARG  80           HD2      ARG  80  -4.142   7.468   3.695
  188    HD3  ARG  80           HD1      ARG  80  -5.857   7.767   3.965
  189    HE   ARG  80           HE       ARG  80  -4.254   6.426   6.033
  190   HH11  ARG  80          HH11      ARG  80  -6.203   9.154   4.987
  191   HH12  ARG  80          HH12      ARG  80  -6.366   9.813   6.584
  192   HH21  ARG  80          HH21      ARG  80  -4.477   7.285   8.136
  193   HH22  ARG  80          HH22      ARG  80  -5.348   8.777   8.368
  194    H    HIS  81           HN       HIS  81  -6.090   3.261  -0.451
  195    HA   HIS  81           HA       HIS  81  -8.324   4.680  -1.710
  196    HB2  HIS  81           HB2      HIS  81  -6.061   3.015  -2.773
  197    HB3  HIS  81           HB1      HIS  81  -7.511   3.239  -3.739
  198    HD1  HIS  81           HD1      HIS  81  -4.721   5.262  -2.168
  199    HD2  HIS  81           HD2      HIS  81  -7.624   5.576  -5.124
  200    HE1  HIS  81           HE1      HIS  81  -4.199   7.387  -3.398
  201    HE2  HIS  81           HE2      HIS  81  -6.086   7.659  -5.056
  202    H    HIS  82           HN       HIS  82  -7.894   2.068   0.186
  203    HA   HIS  82           HA       HIS  82  -9.408   0.124  -1.316
  204    HB2  HIS  82           HB2      HIS  82  -7.785   0.120   1.129
  205    HB3  HIS  82           HB1      HIS  82  -9.203  -0.905   1.220
  206    HD1  HIS  82           HD1      HIS  82  -9.038  -1.788  -1.892
  207    HD2  HIS  82           HD2      HIS  82  -6.020  -1.914   0.967
  208    HE1  HIS  82           HE1      HIS  82  -7.340  -3.489  -2.708
  209    H    ASP  83           HN       ASP  83 -10.233   2.747   0.523
  210    HA   ASP  83           HA       ASP  83 -12.936   1.667   0.767
  211    HB2  ASP  83           HB2      ASP  83 -13.341   2.981   2.770
  212    HB3  ASP  83           HB1      ASP  83 -11.973   1.904   3.032
  Start of MODEL   13
    1    H1   LYS  58           HT1      LYS  58  11.092  -3.319  -1.558
    2    H2   LYS  58           HT2      LYS  58  12.251  -4.367  -0.894
    3    H3   LYS  58           HT3      LYS  58  12.638  -2.741  -1.167
    4    HA   LYS  58           HA       LYS  58  12.220  -3.212   1.174
    5    HB2  LYS  58           HB2      LYS  58  10.580  -1.299  -0.422
    6    HB3  LYS  58           HB1      LYS  58  10.211  -1.471   1.286
    7    HG2  LYS  58           HG2      LYS  58  12.516  -0.881   1.847
    8    HG3  LYS  58           HG1      LYS  58  12.890  -0.718   0.131
    9    HD2  LYS  58           HD2      LYS  58  11.480   1.150  -0.105
   10    HD3  LYS  58           HD1      LYS  58  10.685   0.846   1.438
   11    HE2  LYS  58           HE2      LYS  58  13.574   1.648   1.106
   12    HE3  LYS  58           HE1      LYS  58  12.260   2.752   1.510
   13    HZ1  LYS  58           HZ1      LYS  58  13.301   2.162   3.529
   14    HZ2  LYS  58           HZ2      LYS  58  13.315   0.510   3.143
   15    HZ3  LYS  58           HZ3      LYS  58  11.854   1.285   3.493
   16    HA   PRO  59           HA       PRO  59   8.823  -5.881   2.105
   17    HB2  PRO  59           HB2      PRO  59   8.843  -5.234   4.872
   18    HB3  PRO  59           HB1      PRO  59   9.685  -6.569   4.074
   19    HG2  PRO  59           HG2      PRO  59  10.892  -4.374   5.302
   20    HG3  PRO  59           HG1      PRO  59  11.673  -5.488   4.166
   21    HD2  PRO  59           HD2      PRO  59  10.541  -2.770   3.690
   22    HD3  PRO  59           HD1      PRO  59  11.951  -3.556   2.946
   23    H    TYR  60           HN       TYR  60   7.904  -3.446   1.105
   24    HA   TYR  60           HA       TYR  60   5.751  -2.686   2.965
   25    HB2  TYR  60           HB2      TYR  60   6.942  -1.249   0.586
   26    HB3  TYR  60           HB1      TYR  60   5.481  -0.711   1.404
   27    HD1  TYR  60           HD1      TYR  60   9.033  -1.575   2.160
   28    HD2  TYR  60           HD2      TYR  60   5.667   0.856   3.065
   29    HE1  TYR  60           HE1      TYR  60  10.420  -0.259   3.702
   30    HE2  TYR  60           HE2      TYR  60   7.044   2.183   4.628
   31    HH   TYR  60           HH       TYR  60   9.098   2.010   5.904
   32    H    VAL  61           HN       VAL  61   4.407  -4.463   2.469
   33    HA   VAL  61           HA       VAL  61   3.328  -4.419  -0.263
   34    HB   VAL  61           HB       VAL  61   3.471  -6.846   1.537
   35   HG11  VAL  61          HG11      VAL  61   2.831  -8.071  -0.445
   36   HG12  VAL  61          HG12      VAL  61   2.851  -6.587  -1.400
   37   HG13  VAL  61          HG13      VAL  61   1.653  -6.799  -0.122
   38   HG21  VAL  61          HG21      VAL  61   5.718  -6.172   0.885
   39   HG22  VAL  61          HG22      VAL  61   5.214  -6.101  -0.803
   40   HG23  VAL  61          HG23      VAL  61   5.242  -7.648   0.043
   41    H    CYS  62           HN       CYS  62   1.154  -4.481  -0.489
   42    HA   CYS  62           HA       CYS  62  -0.467  -3.764   1.765
   43    HB2  CYS  62           HB2      CYS  62  -0.952  -2.888  -0.494
   44    HB3  CYS  62           HB1      CYS  62  -1.285  -4.520  -1.047
   45    H    GLU  63           HN       GLU  63  -0.917  -5.267   3.229
   46    HA   GLU  63           HA       GLU  63  -0.963  -8.033   2.844
   47    HB2  GLU  63           HB2      GLU  63  -2.396  -6.377   4.930
   48    HB3  GLU  63           HB1      GLU  63  -2.111  -8.109   5.028
   49    HG2  GLU  63           HG2      GLU  63   0.077  -6.056   4.855
   50    HG3  GLU  63           HG1      GLU  63  -0.550  -6.710   6.366
   51    H    ARG  64           HN       ARG  64  -3.294  -5.634   2.090
   52    HA   ARG  64           HA       ARG  64  -5.541  -7.407   2.327
   53    HB2  ARG  64           HB2      ARG  64  -5.490  -4.566   1.330
   54    HB3  ARG  64           HB1      ARG  64  -6.890  -5.479   1.867
   55    HG2  ARG  64           HG2      ARG  64  -5.739  -5.651   4.115
   56    HG3  ARG  64           HG1      ARG  64  -4.618  -4.431   3.515
   57    HD2  ARG  64           HD2      ARG  64  -6.620  -2.993   3.007
   58    HD3  ARG  64           HD1      ARG  64  -7.594  -4.176   3.896
   59    HE   ARG  64           HE       ARG  64  -5.441  -3.373   5.513
   60   HH11  ARG  64          HH11      ARG  64  -8.455  -2.130   4.235
   61   HH12  ARG  64          HH12      ARG  64  -8.642  -0.928   5.475
   62   HH21  ARG  64          HH21      ARG  64  -5.674  -1.807   7.149
   63   HH22  ARG  64          HH22      ARG  64  -7.053  -0.744   7.139
   64    H    CYS  65           HN       CYS  65  -3.596  -6.066  -0.407
   65    HA   CYS  65           HA       CYS  65  -5.311  -7.824  -2.048
   66    HB2  CYS  65           HB2      CYS  65  -5.471  -6.246  -3.849
   67    HB3  CYS  65           HB1      CYS  65  -5.995  -5.456  -2.365
   68    H    GLY  66           HN       GLY  66  -2.213  -7.174  -1.073
   69    HA2  GLY  66           HA2      GLY  66  -0.464  -8.650  -1.594
   70    HA3  GLY  66           HA1      GLY  66  -1.273  -9.038  -3.108
   71    H    LYS  67           HN       LYS  67  -1.416  -5.845  -3.253
   72    HA   LYS  67           HA       LYS  67   0.940  -5.738  -4.929
   73    HB2  LYS  67           HB2      LYS  67  -1.187  -3.673  -4.368
   74    HB3  LYS  67           HB1      LYS  67   0.154  -3.429  -5.481
   75    HG2  LYS  67           HG2      LYS  67  -2.081  -5.427  -5.710
   76    HG3  LYS  67           HG1      LYS  67  -1.740  -4.055  -6.764
   77    HD2  LYS  67           HD2      LYS  67   0.376  -5.115  -7.429
   78    HD3  LYS  67           HD1      LYS  67  -0.022  -6.501  -6.412
   79    HE2  LYS  67           HE2      LYS  67  -0.580  -6.989  -8.701
   80    HE3  LYS  67           HE1      LYS  67  -2.056  -6.865  -7.751
   81    HZ1  LYS  67           HZ1      LYS  67  -2.174  -4.505  -8.573
   82    HZ2  LYS  67           HZ2      LYS  67  -2.443  -5.701  -9.737
   83    HZ3  LYS  67           HZ3      LYS  67  -0.946  -4.900  -9.673
   84    H    ARG  68           HN       ARG  68   2.731  -4.433  -4.659
   85    HA   ARG  68           HA       ARG  68   3.075  -3.453  -1.924
   86    HB2  ARG  68           HB2      ARG  68   5.452  -4.198  -2.183
   87    HB3  ARG  68           HB1      ARG  68   4.252  -5.476  -2.057
   88    HG2  ARG  68           HG2      ARG  68   4.361  -5.862  -4.411
   89    HG3  ARG  68           HG1      ARG  68   5.427  -4.470  -4.611
   90    HD2  ARG  68           HD2      ARG  68   7.197  -5.541  -3.459
   91    HD3  ARG  68           HD1      ARG  68   6.134  -6.822  -2.879
   92    HE   ARG  68           HE       ARG  68   5.979  -7.130  -5.541
   93   HH11  ARG  68          HH11      ARG  68   8.719  -6.728  -3.412
   94   HH12  ARG  68          HH12      ARG  68   9.775  -7.716  -4.369
   95   HH21  ARG  68          HH21      ARG  68   7.353  -8.430  -6.813
   96   HH22  ARG  68          HH22      ARG  68   9.002  -8.683  -6.315
   97    H    PHE  69           HN       PHE  69   5.104  -2.090  -1.720
   98    HA   PHE  69           HA       PHE  69   5.496  -0.202  -3.893
   99    HB2  PHE  69           HB2      PHE  69   4.155   0.443  -1.267
  100    HB3  PHE  69           HB1      PHE  69   4.945   1.677  -2.255
  101    HD1  PHE  69           HD2      PHE  69   2.129  -0.643  -2.009
  102    HD2  PHE  69           HD1      PHE  69   3.973   2.395  -4.343
  103    HE1  PHE  69           HE2      PHE  69   0.055  -0.386  -3.310
  104    HE2  PHE  69           HE1      PHE  69   1.909   2.654  -5.646
  105    HZ   PHE  69           HZ       PHE  69  -0.011   1.208  -5.212
  106    H    VAL  70           HN       VAL  70   6.914   1.625  -2.948
  107    HA   VAL  70           HA       VAL  70   9.015   0.412  -1.302
  108    HB   VAL  70           HB       VAL  70   9.067   2.196  -3.719
  109   HG11  VAL  70          HG11      VAL  70  11.381   2.810  -3.265
  110   HG12  VAL  70          HG12      VAL  70  11.267   2.050  -1.676
  111   HG13  VAL  70          HG13      VAL  70  10.270   3.453  -2.057
  112   HG21  VAL  70          HG21      VAL  70  10.724  -0.173  -2.858
  113   HG22  VAL  70          HG22      VAL  70  10.887   0.690  -4.389
  114   HG23  VAL  70          HG23      VAL  70   9.400  -0.187  -4.025
  115    H    GLN  71           HN       GLN  71   6.742   2.918  -1.791
  116    HA   GLN  71           HA       GLN  71   8.014   4.734   0.085
  117    HB2  GLN  71           HB2      GLN  71   5.548   5.027  -1.643
  118    HB3  GLN  71           HB1      GLN  71   6.393   6.311  -0.801
  119    HG2  GLN  71           HG2      GLN  71   8.395   5.815  -2.192
  120    HG3  GLN  71           HG1      GLN  71   7.404   4.689  -3.106
  121   HE21  GLN  71          HE21      GLN  71   7.682   5.822  -5.002
  122   HE22  GLN  71          HE22      GLN  71   6.905   7.341  -5.308
  123    H    SER  72           HN       SER  72   7.321   4.839   2.132
  124    HA   SER  72           HA       SER  72   5.330   3.138   3.165
  125    HB2  SER  72           HB2      SER  72   7.173   4.054   4.539
  126    HB3  SER  72           HB1      SER  72   6.473   5.667   4.393
  127    HG   SER  72           HG       SER  72   5.534   3.422   5.823
  128    H    SER  73           HN       SER  73   5.343   6.556   2.304
  129    HA   SER  73           HA       SER  73   2.702   7.126   3.079
  130    HB2  SER  73           HB2      SER  73   4.322   8.899   2.610
  131    HB3  SER  73           HB1      SER  73   4.410   8.397   0.924
  132    HG   SER  73           HG       SER  73   2.145   9.461   2.283
  133    H    GLN  74           HN       GLN  74   4.086   5.811   0.094
  134    HA   GLN  74           HA       GLN  74   1.683   6.175  -1.426
  135    HB2  GLN  74           HB2      GLN  74   4.015   6.107  -2.383
  136    HB3  GLN  74           HB1      GLN  74   4.045   4.382  -2.023
  137    HG2  GLN  74           HG2      GLN  74   3.550   4.785  -4.346
  138    HG3  GLN  74           HG1      GLN  74   2.179   4.031  -3.534
  139   HE21  GLN  74          HE21      GLN  74   3.402   6.931  -4.997
  140   HE22  GLN  74          HE22      GLN  74   1.883   7.745  -5.145
  141    H    LEU  75           HN       LEU  75   3.210   3.681   0.440
  142    HA   LEU  75           HA       LEU  75   1.531   1.528  -0.219
  143    HB2  LEU  75           HB2      LEU  75   3.608   1.118   0.915
  144    HB3  LEU  75           HB1      LEU  75   3.170   2.199   2.232
  145    HG   LEU  75           HG       LEU  75   1.427   0.606   2.938
  146   HD11  LEU  75          HD11      LEU  75   0.997  -0.341   0.745
  147   HD12  LEU  75          HD12      LEU  75   1.337  -1.594   1.945
  148   HD13  LEU  75          HD13      LEU  75   2.577  -1.127   0.775
  149   HD21  LEU  75          HD21      LEU  75   2.946  -1.133   3.771
  150   HD22  LEU  75          HD22      LEU  75   3.631   0.482   3.949
  151   HD23  LEU  75          HD23      LEU  75   4.186  -0.574   2.648
  152    H    ALA  76           HN       ALA  76   1.506   3.574   2.652
  153    HA   ALA  76           HA       ALA  76  -1.020   2.871   3.577
  154    HB1  ALA  76           HB1      ALA  76   0.324   5.564   3.846
  155    HB2  ALA  76           HB2      ALA  76   0.605   4.175   4.896
  156    HB3  ALA  76           HB3      ALA  76  -0.982   4.943   4.854
  157    H    ASN  77           HN       ASN  77  -0.067   5.320   1.188
  158    HA   ASN  77           HA       ASN  77  -2.613   6.431   0.791
  159    HB2  ASN  77           HB2      ASN  77  -0.610   7.397  -0.217
  160    HB3  ASN  77           HB1      ASN  77  -0.400   5.968  -1.224
  161   HD21  ASN  77          HD21      ASN  77  -1.631   5.715  -3.040
  162   HD22  ASN  77          HD22      ASN  77  -2.672   6.963  -3.664
  163    H    HIS  78           HN       HIS  78  -1.057   3.609  -0.667
  164    HA   HIS  78           HA       HIS  78  -3.079   2.872  -2.456
  165    HB2  HIS  78           HB2      HIS  78  -0.890   1.904  -2.577
  166    HB3  HIS  78           HB1      HIS  78  -1.000   1.296  -0.929
  167    HD1  HIS  78           HD1      HIS  78  -2.329   0.584  -4.412
  168    HD2  HIS  78           HD2      HIS  78  -2.076  -1.157  -0.643
  169    HE1  HIS  78           HE1      HIS  78  -3.028  -1.829  -4.696
  170    H    ILE  79           HN       ILE  79  -2.482   1.764   0.853
  171    HA   ILE  79           HA       ILE  79  -4.775   0.064   0.931
  172    HB   ILE  79           HB       ILE  79  -2.930   1.018   3.116
  173   HG12  ILE  79          HG12      ILE  79  -3.013  -1.437   1.355
  174   HG13  ILE  79          HG11      ILE  79  -1.781  -0.174   1.355
  175   HG21  ILE  79          HG21      ILE  79  -4.911  -1.258   3.106
  176   HG22  ILE  79          HG22      ILE  79  -5.064   0.237   4.022
  177   HG23  ILE  79          HG23      ILE  79  -3.761  -0.889   4.392
  178   HD11  ILE  79          HD11      ILE  79  -2.344  -2.008   3.657
  179   HD12  ILE  79          HD12      ILE  79  -1.018  -0.852   3.509
  180   HD13  ILE  79          HD13      ILE  79  -1.087  -2.264   2.444
  181    H    ARG  80           HN       ARG  80  -4.224   3.455   1.834
  182    HA   ARG  80           HA       ARG  80  -6.404   3.911   3.452
  183    HB2  ARG  80           HB2      ARG  80  -4.934   5.519   1.427
  184    HB3  ARG  80           HB1      ARG  80  -6.415   6.151   2.092
  185    HG2  ARG  80           HG2      ARG  80  -5.395   5.729   4.382
  186    HG3  ARG  80           HG1      ARG  80  -3.870   5.511   3.520
  187    HD2  ARG  80           HD2      ARG  80  -5.607   7.960   3.617
  188    HD3  ARG  80           HD1      ARG  80  -3.972   7.776   4.245
  189    HE   ARG  80           HE       ARG  80  -4.294   7.407   1.380
  190   HH11  ARG  80          HH11      ARG  80  -3.493   9.604   3.985
  191   HH12  ARG  80          HH12      ARG  80  -2.617  10.703   2.959
  192   HH21  ARG  80          HH21      ARG  80  -3.178   8.892   0.015
  193   HH22  ARG  80          HH22      ARG  80  -2.492  10.330   0.713
  194    H    HIS  81           HN       HIS  81  -6.321   3.269   0.020
  195    HA   HIS  81           HA       HIS  81  -9.134   3.970  -0.283
  196    HB2  HIS  81           HB2      HIS  81  -7.491   4.600  -2.040
  197    HB3  HIS  81           HB1      HIS  81  -7.196   2.892  -2.343
  198    HD1  HIS  81           HD1      HIS  81 -10.667   4.288  -1.807
  199    HD2  HIS  81           HD2      HIS  81  -8.251   2.873  -4.889
  200    HE1  HIS  81           HE1      HIS  81 -12.178   4.038  -3.801
  201    HE2  HIS  81           HE2      HIS  81 -10.739   2.993  -5.585
  202    H    HIS  82           HN       HIS  82  -7.992   1.641   1.302
  203    HA   HIS  82           HA       HIS  82  -9.629  -0.459   0.068
  204    HB2  HIS  82           HB2      HIS  82  -7.320  -0.480   1.928
  205    HB3  HIS  82           HB1      HIS  82  -8.542  -1.704   2.188
  206    HD1  HIS  82           HD1      HIS  82  -8.913  -1.728  -1.196
  207    HD2  HIS  82           HD2      HIS  82  -5.663  -2.573   1.239
  208    HE1  HIS  82           HE1      HIS  82  -7.320  -3.155  -2.581
  209    H    ASP  83           HN       ASP  83 -10.202   2.061   1.753
  210    HA   ASP  83           HA       ASP  83 -11.954   0.825   3.739
  211    HB2  ASP  83           HB2      ASP  83 -10.673   2.662   4.631
  212    HB3  ASP  83           HB1      ASP  83 -11.125   3.699   3.271
  Start of MODEL   14
    1    H1   LYS  58           HT1      LYS  58  10.685   1.074   0.222
    2    H2   LYS  58           HT2      LYS  58  11.991   0.033   0.496
    3    H3   LYS  58           HT3      LYS  58  12.035   1.625   1.090
    4    HA   LYS  58           HA       LYS  58  11.563   0.152   2.890
    5    HB2  LYS  58           HB2      LYS  58   9.937   2.307   2.086
    6    HB3  LYS  58           HB1      LYS  58   8.827   1.063   2.641
    7    HG2  LYS  58           HG2      LYS  58   9.348   2.512   4.471
    8    HG3  LYS  58           HG1      LYS  58  10.091   0.941   4.765
    9    HD2  LYS  58           HD2      LYS  58  12.242   1.780   4.072
   10    HD3  LYS  58           HD1      LYS  58  11.528   3.327   3.613
   11    HE2  LYS  58           HE2      LYS  58  10.909   3.746   5.935
   12    HE3  LYS  58           HE1      LYS  58  11.577   2.184   6.405
   13    HZ1  LYS  58           HZ1      LYS  58  13.758   2.944   5.699
   14    HZ2  LYS  58           HZ2      LYS  58  13.114   3.977   6.877
   15    HZ3  LYS  58           HZ3      LYS  58  13.113   4.447   5.247
   16    HA   PRO  59           HA       PRO  59   9.497  -3.582   1.739
   17    HB2  PRO  59           HB2      PRO  59   9.428  -4.542   4.406
   18    HB3  PRO  59           HB1      PRO  59  10.680  -4.834   3.191
   19    HG2  PRO  59           HG2      PRO  59  10.988  -3.358   5.545
   20    HG3  PRO  59           HG1      PRO  59  12.086  -3.345   4.157
   21    HD2  PRO  59           HD2      PRO  59   9.961  -1.396   4.917
   22    HD3  PRO  59           HD1      PRO  59  11.529  -1.113   4.129
   23    H    TYR  60           HN       TYR  60   7.575  -1.903   1.554
   24    HA   TYR  60           HA       TYR  60   5.511  -2.648   3.505
   25    HB2  TYR  60           HB2      TYR  60   6.118  -0.127   2.076
   26    HB3  TYR  60           HB1      TYR  60   4.413  -0.518   2.286
   27    HD1  TYR  60           HD1      TYR  60   7.525  -0.652   4.364
   28    HD2  TYR  60           HD2      TYR  60   3.419   0.439   4.121
   29    HE1  TYR  60           HE1      TYR  60   7.613   0.186   6.673
   30    HE2  TYR  60           HE2      TYR  60   3.500   1.278   6.429
   31    HH   TYR  60           HH       TYR  60   4.782   1.007   8.437
   32    H    VAL  61           HN       VAL  61   4.404  -4.290   2.757
   33    HA   VAL  61           HA       VAL  61   3.451  -4.206  -0.023
   34    HB   VAL  61           HB       VAL  61   3.695  -6.609   1.800
   35   HG11  VAL  61          HG11      VAL  61   3.178  -7.920  -0.191
   36   HG12  VAL  61          HG12      VAL  61   3.007  -6.442  -1.136
   37   HG13  VAL  61          HG13      VAL  61   1.872  -6.792   0.168
   38   HG21  VAL  61          HG21      VAL  61   5.382  -5.769  -0.544
   39   HG22  VAL  61          HG22      VAL  61   5.517  -7.304   0.315
   40   HG23  VAL  61          HG23      VAL  61   5.882  -5.792   1.148
   41    H    CYS  62           HN       CYS  62   1.315  -4.149  -0.366
   42    HA   CYS  62           HA       CYS  62  -0.511  -3.945   1.831
   43    HB2  CYS  62           HB2      CYS  62  -1.143  -2.763  -0.172
   44    HB3  CYS  62           HB1      CYS  62  -0.967  -4.212  -1.153
   45    H    GLU  63           HN       GLU  63  -0.508  -5.817   3.032
   46    HA   GLU  63           HA       GLU  63  -0.565  -8.412   1.901
   47    HB2  GLU  63           HB2      GLU  63  -1.563  -7.491   4.603
   48    HB3  GLU  63           HB1      GLU  63  -1.273  -9.162   4.137
   49    HG2  GLU  63           HG2      GLU  63   1.103  -8.655   3.840
   50    HG3  GLU  63           HG1      GLU  63   0.800  -6.990   4.334
   51    H    ARG  64           HN       ARG  64  -2.871  -5.957   2.178
   52    HA   ARG  64           HA       ARG  64  -5.203  -7.532   2.424
   53    HB2  ARG  64           HB2      ARG  64  -5.022  -4.744   1.288
   54    HB3  ARG  64           HB1      ARG  64  -6.422  -5.516   2.014
   55    HG2  ARG  64           HG2      ARG  64  -5.025  -5.664   4.144
   56    HG3  ARG  64           HG1      ARG  64  -3.936  -4.522   3.358
   57    HD2  ARG  64           HD2      ARG  64  -5.364  -3.176   4.627
   58    HD3  ARG  64           HD1      ARG  64  -6.020  -3.083   2.985
   59    HE   ARG  64           HE       ARG  64  -7.216  -5.168   4.552
   60   HH11  ARG  64          HH11      ARG  64  -7.343  -1.739   3.839
   61   HH12  ARG  64          HH12      ARG  64  -8.993  -1.570   4.345
   62   HH21  ARG  64          HH21      ARG  64  -9.349  -4.950   5.231
   63   HH22  ARG  64          HH22      ARG  64 -10.143  -3.401   5.147
   64    H    CYS  65           HN       CYS  65  -3.520  -6.106  -0.462
   65    HA   CYS  65           HA       CYS  65  -5.067  -8.120  -1.967
   66    HB2  CYS  65           HB2      CYS  65  -5.616  -6.667  -3.756
   67    HB3  CYS  65           HB1      CYS  65  -6.101  -5.859  -2.263
   68    H    GLY  66           HN       GLY  66  -2.086  -7.191  -1.127
   69    HA2  GLY  66           HA2      GLY  66  -0.238  -8.512  -1.684
   70    HA3  GLY  66           HA1      GLY  66  -1.003  -8.920  -3.210
   71    H    LYS  67           HN       LYS  67  -1.360  -5.718  -3.257
   72    HA   LYS  67           HA       LYS  67   1.011  -5.456  -4.921
   73    HB2  LYS  67           HB2      LYS  67  -1.312  -3.578  -4.479
   74    HB3  LYS  67           HB1      LYS  67  -0.049  -3.376  -5.689
   75    HG2  LYS  67           HG2      LYS  67  -0.766  -5.256  -6.908
   76    HG3  LYS  67           HG1      LYS  67  -1.786  -5.820  -5.585
   77    HD2  LYS  67           HD2      LYS  67  -3.256  -3.938  -5.881
   78    HD3  LYS  67           HD1      LYS  67  -2.217  -3.291  -7.156
   79    HE2  LYS  67           HE2      LYS  67  -3.771  -5.876  -7.214
   80    HE3  LYS  67           HE1      LYS  67  -4.094  -4.425  -8.157
   81    HZ1  LYS  67           HZ1      LYS  67  -2.974  -6.022  -9.521
   82    HZ2  LYS  67           HZ2      LYS  67  -1.717  -6.196  -8.397
   83    HZ3  LYS  67           HZ3      LYS  67  -1.914  -4.732  -9.233
   84    H    ARG  68           HN       ARG  68   2.828  -4.469  -4.302
   85    HA   ARG  68           HA       ARG  68   2.770  -3.064  -1.747
   86    HB2  ARG  68           HB2      ARG  68   5.168  -3.651  -1.617
   87    HB3  ARG  68           HB1      ARG  68   4.088  -5.038  -1.624
   88    HG2  ARG  68           HG2      ARG  68   4.627  -5.505  -3.890
   89    HG3  ARG  68           HG1      ARG  68   5.543  -4.001  -4.032
   90    HD2  ARG  68           HD2      ARG  68   7.152  -4.794  -2.403
   91    HD3  ARG  68           HD1      ARG  68   6.209  -6.260  -2.148
   92    HE   ARG  68           HE       ARG  68   6.718  -6.546  -4.699
   93   HH11  ARG  68          HH11      ARG  68   8.851  -5.316  -2.208
   94   HH12  ARG  68          HH12      ARG  68  10.296  -5.911  -2.967
   95   HH21  ARG  68          HH21      ARG  68   8.619  -7.370  -5.683
   96   HH22  ARG  68          HH22      ARG  68  10.165  -7.092  -4.935
   97    H    PHE  69           HN       PHE  69   4.612  -1.517  -1.441
   98    HA   PHE  69           HA       PHE  69   5.247   0.073  -3.799
   99    HB2  PHE  69           HB2      PHE  69   3.668   0.989  -1.424
  100    HB3  PHE  69           HB1      PHE  69   4.688   2.120  -2.311
  101    HD1  PHE  69           HD1      PHE  69   4.245   2.472  -4.768
  102    HD2  PHE  69           HD2      PHE  69   1.565   0.372  -2.215
  103    HE1  PHE  69           HE1      PHE  69   2.427   2.799  -6.396
  104    HE2  PHE  69           HE2      PHE  69  -0.249   0.693  -3.840
  105    HZ   PHE  69           HZ       PHE  69   0.224   1.919  -5.979
  106    H    VAL  70           HN       VAL  70   7.074   1.166  -3.640
  107    HA   VAL  70           HA       VAL  70   9.041   0.252  -1.872
  108    HB   VAL  70           HB       VAL  70   9.153   2.661  -3.691
  109   HG11  VAL  70          HG11      VAL  70  11.526   2.134  -3.800
  110   HG12  VAL  70          HG12      VAL  70  11.270   0.792  -2.686
  111   HG13  VAL  70          HG13      VAL  70  10.997   2.446  -2.150
  112   HG21  VAL  70          HG21      VAL  70  10.018   1.115  -5.418
  113   HG22  VAL  70          HG22      VAL  70   8.339   0.791  -4.994
  114   HG23  VAL  70          HG23      VAL  70   9.619  -0.245  -4.369
  115    H    GLN  71           HN       GLN  71   6.890   3.025  -1.903
  116    HA   GLN  71           HA       GLN  71   8.295   4.159   0.381
  117    HB2  GLN  71           HB2      GLN  71   6.197   5.322  -1.451
  118    HB3  GLN  71           HB1      GLN  71   7.070   6.167  -0.193
  119    HG2  GLN  71           HG2      GLN  71   9.166   5.371  -1.541
  120    HG3  GLN  71           HG1      GLN  71   7.998   5.264  -2.851
  121   HE21  GLN  71          HE21      GLN  71   7.772   7.616  -0.289
  122   HE22  GLN  71          HE22      GLN  71   8.134   9.001  -1.261
  123    H    SER  72           HN       SER  72   7.380   4.089   2.319
  124    HA   SER  72           HA       SER  72   5.161   2.550   2.961
  125    HB2  SER  72           HB2      SER  72   6.143   4.889   4.600
  126    HB3  SER  72           HB1      SER  72   5.403   3.395   5.176
  127    HG   SER  72           HG       SER  72   8.011   3.928   4.472
  128    H    SER  73           HN       SER  73   5.455   6.014   2.381
  129    HA   SER  73           HA       SER  73   2.878   6.805   3.109
  130    HB2  SER  73           HB2      SER  73   4.700   8.397   2.664
  131    HB3  SER  73           HB1      SER  73   4.688   7.948   0.960
  132    HG   SER  73           HG       SER  73   2.817   9.445   2.438
  133    H    GLN  74           HN       GLN  74   4.127   5.521   0.051
  134    HA   GLN  74           HA       GLN  74   1.705   6.089  -1.367
  135    HB2  GLN  74           HB2      GLN  74   4.157   4.484  -2.104
  136    HB3  GLN  74           HB1      GLN  74   2.796   4.752  -3.195
  137    HG2  GLN  74           HG2      GLN  74   4.478   6.929  -1.965
  138    HG3  GLN  74           HG1      GLN  74   4.681   6.284  -3.593
  139   HE21  GLN  74          HE21      GLN  74   3.991   8.988  -2.610
  140   HE22  GLN  74          HE22      GLN  74   2.519   9.400  -3.419
  141    H    LEU  75           HN       LEU  75   3.126   3.355   0.284
  142    HA   LEU  75           HA       LEU  75   1.235   1.453  -0.654
  143    HB2  LEU  75           HB2      LEU  75   3.545   1.019   0.368
  144    HB3  LEU  75           HB1      LEU  75   2.793   1.310   1.931
  145    HG   LEU  75           HG       LEU  75   3.053  -1.105   1.345
  146   HD11  LEU  75          HD11      LEU  75   0.850  -1.782   2.058
  147   HD12  LEU  75          HD12      LEU  75   0.202  -0.199   1.619
  148   HD13  LEU  75          HD13      LEU  75   1.356  -0.343   2.947
  149   HD21  LEU  75          HD21      LEU  75   2.645  -0.964  -1.043
  150   HD22  LEU  75          HD22      LEU  75   0.982  -0.459  -0.746
  151   HD23  LEU  75          HD23      LEU  75   1.508  -2.079  -0.285
  152    H    ALA  76           HN       ALA  76   1.444   3.577   2.182
  153    HA   ALA  76           HA       ALA  76  -1.042   2.589   3.245
  154    HB1  ALA  76           HB1      ALA  76  -0.884   4.455   4.818
  155    HB2  ALA  76           HB2      ALA  76   0.438   5.157   3.881
  156    HB3  ALA  76           HB3      ALA  76   0.661   3.610   4.702
  157    H    ASN  77           HN       ASN  77  -0.060   5.198   1.072
  158    HA   ASN  77           HA       ASN  77  -2.610   6.399   0.837
  159    HB2  ASN  77           HB2      ASN  77  -0.511   7.314  -0.178
  160    HB3  ASN  77           HB1      ASN  77  -0.561   6.016  -1.367
  161   HD21  ASN  77          HD21      ASN  77  -1.992   8.983  -0.284
  162   HD22  ASN  77          HD22      ASN  77  -2.956   9.271  -1.712
  163    H    HIS  78           HN       HIS  78  -1.111   3.607  -0.646
  164    HA   HIS  78           HA       HIS  78  -3.135   2.735  -2.348
  165    HB2  HIS  78           HB2      HIS  78  -0.875   1.800  -2.297
  166    HB3  HIS  78           HB1      HIS  78  -1.145   1.194  -0.671
  167    HD1  HIS  78           HD1      HIS  78  -1.887   0.419  -4.264
  168    HD2  HIS  78           HD2      HIS  78  -2.610  -1.118  -0.465
  169    HE1  HIS  78           HE1      HIS  78  -2.622  -1.978  -4.596
  170    H    ILE  79           HN       ILE  79  -2.536   1.949   1.067
  171    HA   ILE  79           HA       ILE  79  -4.776   0.301   1.435
  172    HB   ILE  79           HB       ILE  79  -3.461   2.006   3.551
  173   HG12  ILE  79          HG12      ILE  79  -1.745   0.771   2.378
  174   HG13  ILE  79          HG11      ILE  79  -2.017   0.023   3.958
  175   HG21  ILE  79          HG21      ILE  79  -5.540   0.983   4.246
  176   HG22  ILE  79          HG22      ILE  79  -4.178   0.200   5.049
  177   HG23  ILE  79          HG23      ILE  79  -4.974  -0.588   3.685
  178   HD11  ILE  79          HD11      ILE  79  -3.046  -0.942   1.306
  179   HD12  ILE  79          HD12      ILE  79  -3.387  -1.689   2.865
  180   HD13  ILE  79          HD13      ILE  79  -1.733  -1.643   2.247
  181    H    ARG  80           HN       ARG  80  -4.284   3.778   1.871
  182    HA   ARG  80           HA       ARG  80  -6.637   4.480   3.087
  183    HB2  ARG  80           HB2      ARG  80  -4.820   5.883   1.178
  184    HB3  ARG  80           HB1      ARG  80  -6.243   6.658   1.820
  185    HG2  ARG  80           HG2      ARG  80  -5.436   6.306   4.092
  186    HG3  ARG  80           HG1      ARG  80  -3.997   5.518   3.443
  187    HD2  ARG  80           HD2      ARG  80  -3.484   7.616   2.220
  188    HD3  ARG  80           HD1      ARG  80  -4.841   8.375   3.050
  189    HE   ARG  80           HE       ARG  80  -2.934   7.154   4.831
  190   HH11  ARG  80          HH11      ARG  80  -3.757  10.051   3.046
  191   HH12  ARG  80          HH12      ARG  80  -2.828  11.107   4.067
  192   HH21  ARG  80          HH21      ARG  80  -1.685   8.536   6.159
  193   HH22  ARG  80          HH22      ARG  80  -1.621  10.235   5.816
  194    H    HIS  81           HN       HIS  81  -6.151   3.719  -0.346
  195    HA   HIS  81           HA       HIS  81  -8.961   4.424  -0.775
  196    HB2  HIS  81           HB2      HIS  81  -8.587   4.238  -3.170
  197    HB3  HIS  81           HB1      HIS  81  -7.449   5.358  -2.444
  198    HD1  HIS  81           HD1      HIS  81  -7.651   2.051  -4.183
  199    HD2  HIS  81           HD2      HIS  81  -4.767   4.640  -2.673
  200    HE1  HIS  81           HE1      HIS  81  -5.453   1.226  -5.090
  201    HE2  HIS  81           HE2      HIS  81  -3.760   2.920  -4.315
  202    H    HIS  82           HN       HIS  82  -8.020   2.079   0.718
  203    HA   HIS  82           HA       HIS  82  -9.409  -0.018  -0.799
  204    HB2  HIS  82           HB2      HIS  82  -7.535   0.019   1.476
  205    HB3  HIS  82           HB1      HIS  82  -8.866  -1.108   1.661
  206    HD1  HIS  82           HD1      HIS  82  -9.073  -2.257  -1.197
  207    HD2  HIS  82           HD2      HIS  82  -5.496  -1.567   0.829
  208    HE1  HIS  82           HE1      HIS  82  -7.348  -3.813  -2.225
  209    H    ASP  83           HN       ASP  83 -10.538   2.496   0.360
  210    HA   ASP  83           HA       ASP  83 -12.175   1.594   2.575
  211    HB2  ASP  83           HB2      ASP  83 -11.148   3.816   2.672
  212    HB3  ASP  83           HB1      ASP  83 -11.985   4.278   1.188
  Start of MODEL   15
    1    H1   LYS  58           HT1      LYS  58   9.253  -7.446  -0.437
    2    H2   LYS  58           HT2      LYS  58  10.744  -7.246   0.338
    3    H3   LYS  58           HT3      LYS  58  10.663  -7.235  -1.356
    4    HA   LYS  58           HA       LYS  58  10.928  -5.011  -0.512
    5    HB2  LYS  58           HB2      LYS  58   8.157  -5.556  -1.616
    6    HB3  LYS  58           HB1      LYS  58   8.961  -3.990  -1.617
    7    HG2  LYS  58           HG2      LYS  58  10.690  -4.821  -3.074
    8    HG3  LYS  58           HG1      LYS  58  10.017  -6.447  -2.998
    9    HD2  LYS  58           HD2      LYS  58   9.362  -5.484  -5.074
   10    HD3  LYS  58           HD1      LYS  58   7.934  -5.547  -4.042
   11    HE2  LYS  58           HE2      LYS  58   8.002  -3.224  -3.633
   12    HE3  LYS  58           HE1      LYS  58   9.648  -3.088  -4.252
   13    HZ1  LYS  58           HZ1      LYS  58   7.317  -3.855  -5.925
   14    HZ2  LYS  58           HZ2      LYS  58   8.888  -3.487  -6.454
   15    HZ3  LYS  58           HZ3      LYS  58   7.909  -2.271  -5.800
   16    HA   PRO  59           HA       PRO  59   9.599  -4.380   3.514
   17    HB2  PRO  59           HB2      PRO  59   9.719  -1.479   3.162
   18    HB3  PRO  59           HB1      PRO  59  10.789  -2.542   4.083
   19    HG2  PRO  59           HG2      PRO  59  11.566  -1.317   1.803
   20    HG3  PRO  59           HG1      PRO  59  12.182  -2.907   2.290
   21    HD2  PRO  59           HD2      PRO  59  10.062  -2.226   0.286
   22    HD3  PRO  59           HD1      PRO  59  11.356  -3.439   0.187
   23    H    TYR  60           HN       TYR  60   7.730  -2.887   1.011
   24    HA   TYR  60           HA       TYR  60   5.573  -2.424   2.944
   25    HB2  TYR  60           HB2      TYR  60   6.413  -0.607   0.678
   26    HB3  TYR  60           HB1      TYR  60   4.928  -0.407   1.610
   27    HD1  TYR  60           HD2      TYR  60   5.070   0.058   4.048
   28    HD2  TYR  60           HD1      TYR  60   8.507   0.118   1.545
   29    HE1  TYR  60           HE2      TYR  60   6.305   1.287   5.783
   30    HE2  TYR  60           HE1      TYR  60   9.757   1.338   3.278
   31    HH   TYR  60           HH       TYR  60   9.349   2.748   5.212
   32    H    VAL  61           HN       VAL  61   4.185  -3.986   2.535
   33    HA   VAL  61           HA       VAL  61   3.243  -4.303  -0.232
   34    HB   VAL  61           HB       VAL  61   3.646  -6.481   1.823
   35   HG11  VAL  61          HG11      VAL  61   1.614  -6.830   0.507
   36   HG12  VAL  61          HG12      VAL  61   2.853  -8.025   0.126
   37   HG13  VAL  61          HG13      VAL  61   2.554  -6.683  -0.977
   38   HG21  VAL  61          HG21      VAL  61   5.234  -7.387   0.159
   39   HG22  VAL  61          HG22      VAL  61   5.725  -5.815   0.793
   40   HG23  VAL  61          HG23      VAL  61   4.999  -5.931  -0.810
   41    H    CYS  62           HN       CYS  62   1.117  -4.181  -0.495
   42    HA   CYS  62           HA       CYS  62  -0.655  -3.651   1.693
   43    HB2  CYS  62           HB2      CYS  62  -1.095  -2.739  -0.552
   44    HB3  CYS  62           HB1      CYS  62  -1.256  -4.360  -1.188
   45    H    GLU  63           HN       GLU  63  -0.568  -5.403   3.082
   46    HA   GLU  63           HA       GLU  63  -0.686  -8.102   2.419
   47    HB2  GLU  63           HB2      GLU  63  -1.506  -8.418   4.742
   48    HB3  GLU  63           HB1      GLU  63  -0.114  -7.344   4.651
   49    HG2  GLU  63           HG2      GLU  63  -1.779  -5.431   4.643
   50    HG3  GLU  63           HG1      GLU  63  -2.989  -6.625   5.107
   51    H    ARG  64           HN       ARG  64  -3.089  -5.692   2.254
   52    HA   ARG  64           HA       ARG  64  -5.358  -7.362   2.517
   53    HB2  ARG  64           HB2      ARG  64  -5.090  -4.611   1.321
   54    HB3  ARG  64           HB1      ARG  64  -6.600  -5.401   1.747
   55    HG2  ARG  64           HG2      ARG  64  -5.664  -5.552   4.104
   56    HG3  ARG  64           HG1      ARG  64  -4.430  -4.418   3.560
   57    HD2  ARG  64           HD2      ARG  64  -6.284  -3.264   4.647
   58    HD3  ARG  64           HD1      ARG  64  -6.149  -2.812   2.944
   59    HE   ARG  64           HE       ARG  64  -7.948  -4.788   2.828
   60   HH11  ARG  64          HH11      ARG  64  -7.751  -2.059   5.028
   61   HH12  ARG  64          HH12      ARG  64  -9.481  -1.885   5.148
   62   HH21  ARG  64          HH21      ARG  64 -10.197  -4.585   3.025
   63   HH22  ARG  64          HH22      ARG  64 -10.866  -3.320   4.010
   64    H    CYS  65           HN       CYS  65  -3.624  -6.038  -0.420
   65    HA   CYS  65           HA       CYS  65  -5.256  -8.066  -1.847
   66    HB2  CYS  65           HB2      CYS  65  -5.465  -6.695  -3.790
   67    HB3  CYS  65           HB1      CYS  65  -5.985  -5.754  -2.389
   68    H    GLY  66           HN       GLY  66  -2.100  -6.890  -1.247
   69    HA2  GLY  66           HA2      GLY  66  -0.284  -8.403  -1.594
   70    HA3  GLY  66           HA1      GLY  66  -1.099  -8.996  -3.038
   71    H    LYS  67           HN       LYS  67  -1.347  -5.683  -3.128
   72    HA   LYS  67           HA       LYS  67   0.807  -5.554  -5.060
   73    HB2  LYS  67           HB2      LYS  67  -1.074  -3.353  -4.214
   74    HB3  LYS  67           HB1      LYS  67   0.022  -3.313  -5.587
   75    HG2  LYS  67           HG2      LYS  67  -2.441  -4.969  -5.223
   76    HG3  LYS  67           HG1      LYS  67  -2.097  -3.767  -6.464
   77    HD2  LYS  67           HD2      LYS  67  -0.647  -6.393  -6.158
   78    HD3  LYS  67           HD1      LYS  67  -1.975  -6.107  -7.280
   79    HE2  LYS  67           HE2      LYS  67  -0.671  -4.442  -8.455
   80    HE3  LYS  67           HE1      LYS  67   0.641  -4.608  -7.287
   81    HZ1  LYS  67           HZ1      LYS  67  -0.326  -6.684  -9.178
   82    HZ2  LYS  67           HZ2      LYS  67   0.846  -6.952  -7.977
   83    HZ3  LYS  67           HZ3      LYS  67   1.164  -5.870  -9.240
   84    H    ARG  68           HN       ARG  68   2.624  -4.378  -4.940
   85    HA   ARG  68           HA       ARG  68   3.438  -3.737  -2.209
   86    HB2  ARG  68           HB2      ARG  68   5.042  -4.594  -4.609
   87    HB3  ARG  68           HB1      ARG  68   5.677  -4.311  -2.991
   88    HG2  ARG  68           HG2      ARG  68   4.266  -6.029  -2.108
   89    HG3  ARG  68           HG1      ARG  68   3.589  -6.320  -3.711
   90    HD2  ARG  68           HD2      ARG  68   5.766  -7.009  -4.534
   91    HD3  ARG  68           HD1      ARG  68   6.481  -6.669  -2.961
   92    HE   ARG  68           HE       ARG  68   5.340  -8.548  -2.063
   93   HH11  ARG  68          HH11      ARG  68   5.022  -8.219  -5.543
   94   HH12  ARG  68          HH12      ARG  68   4.394  -9.828  -5.758
   95   HH21  ARG  68          HH21      ARG  68   4.564 -10.663  -2.359
   96   HH22  ARG  68          HH22      ARG  68   4.160 -11.217  -3.955
   97    H    PHE  69           HN       PHE  69   5.005  -2.182  -1.833
   98    HA   PHE  69           HA       PHE  69   5.469  -0.090  -3.796
   99    HB2  PHE  69           HB2      PHE  69   3.886   0.258  -1.267
  100    HB3  PHE  69           HB1      PHE  69   4.881   1.586  -1.876
  101    HD1  PHE  69           HD1      PHE  69   4.379   2.589  -4.070
  102    HD2  PHE  69           HD2      PHE  69   1.854  -0.355  -2.326
  103    HE1  PHE  69           HE1      PHE  69   2.562   3.243  -5.594
  104    HE2  PHE  69           HE2      PHE  69   0.034   0.295  -3.845
  105    HZ   PHE  69           HZ       PHE  69   0.428   2.042  -5.554
  106    H    VAL  70           HN       VAL  70   6.968   1.533  -2.853
  107    HA   VAL  70           HA       VAL  70   8.923   0.202  -1.113
  108    HB   VAL  70           HB       VAL  70   9.158   1.747  -3.635
  109   HG11  VAL  70          HG11      VAL  70  10.195   3.328  -2.174
  110   HG12  VAL  70          HG12      VAL  70  11.450   2.503  -3.105
  111   HG13  VAL  70          HG13      VAL  70  11.166   2.066  -1.418
  112   HG21  VAL  70          HG21      VAL  70  11.094   0.263  -3.951
  113   HG22  VAL  70          HG22      VAL  70   9.624  -0.631  -3.566
  114   HG23  VAL  70          HG23      VAL  70  10.850  -0.378  -2.326
  115    H    GLN  71           HN       GLN  71   6.939   2.923  -1.793
  116    HA   GLN  71           HA       GLN  71   8.146   4.592   0.236
  117    HB2  GLN  71           HB2      GLN  71   5.752   4.975  -1.562
  118    HB3  GLN  71           HB1      GLN  71   6.600   6.220  -0.660
  119    HG2  GLN  71           HG2      GLN  71   7.881   4.557  -2.795
  120    HG3  GLN  71           HG1      GLN  71   7.134   6.111  -3.092
  121   HE21  GLN  71          HE21      GLN  71   9.862   5.341  -3.527
  122   HE22  GLN  71          HE22      GLN  71  10.848   6.380  -2.543
  123    H    SER  72           HN       SER  72   7.398   4.639   2.248
  124    HA   SER  72           HA       SER  72   5.322   3.033   3.229
  125    HB2  SER  72           HB2      SER  72   7.126   3.942   4.663
  126    HB3  SER  72           HB1      SER  72   6.490   5.567   4.429
  127    HG   SER  72           HG       SER  72   5.761   3.721   6.226
  128    H    SER  73           HN       SER  73   5.470   6.402   2.244
  129    HA   SER  73           HA       SER  73   2.877   7.171   2.933
  130    HB2  SER  73           HB2      SER  73   4.687   8.736   2.271
  131    HB3  SER  73           HB1      SER  73   4.552   8.159   0.611
  132    HG   SER  73           HG       SER  73   3.220  10.112   1.701
  133    H    GLN  74           HN       GLN  74   4.131   5.655  -0.040
  134    HA   GLN  74           HA       GLN  74   1.678   6.019  -1.450
  135    HB2  GLN  74           HB2      GLN  74   4.174   4.437  -2.049
  136    HB3  GLN  74           HB1      GLN  74   2.775   4.453  -3.119
  137    HG2  GLN  74           HG2      GLN  74   2.993   6.937  -3.230
  138    HG3  GLN  74           HG1      GLN  74   4.508   6.779  -2.342
  139   HE21  GLN  74          HE21      GLN  74   4.014   7.794  -5.038
  140   HE22  GLN  74          HE22      GLN  74   4.993   6.830  -6.087
  141    H    LEU  75           HN       LEU  75   3.190   3.467   0.410
  142    HA   LEU  75           HA       LEU  75   1.369   1.410  -0.185
  143    HB2  LEU  75           HB2      LEU  75   3.381   0.835   0.978
  144    HB3  LEU  75           HB1      LEU  75   3.052   2.009   2.255
  145    HG   LEU  75           HG       LEU  75   1.086   0.639   2.933
  146   HD11  LEU  75          HD11      LEU  75   2.222  -1.299   0.950
  147   HD12  LEU  75          HD12      LEU  75   0.707  -0.408   0.797
  148   HD13  LEU  75          HD13      LEU  75   0.894  -1.615   2.071
  149   HD21  LEU  75          HD21      LEU  75   3.193   0.399   4.113
  150   HD22  LEU  75          HD22      LEU  75   3.739  -0.790   2.927
  151   HD23  LEU  75          HD23      LEU  75   2.375  -1.158   3.983
  152    H    ALA  76           HN       ALA  76   1.480   3.537   2.630
  153    HA   ALA  76           HA       ALA  76  -1.051   2.945   3.623
  154    HB1  ALA  76           HB1      ALA  76  -0.938   5.085   4.808
  155    HB2  ALA  76           HB2      ALA  76   0.407   5.591   3.783
  156    HB3  ALA  76           HB3      ALA  76   0.606   4.235   4.892
  157    H    ASN  77           HN       ASN  77  -0.073   5.304   1.143
  158    HA   ASN  77           HA       ASN  77  -2.611   6.457   0.763
  159    HB2  ASN  77           HB2      ASN  77  -0.624   7.389  -0.304
  160    HB3  ASN  77           HB1      ASN  77  -0.426   5.928  -1.269
  161   HD21  ASN  77          HD21      ASN  77  -2.228   8.856  -0.829
  162   HD22  ASN  77          HD22      ASN  77  -3.077   8.805  -2.351
  163    H    HIS  78           HN       HIS  78  -1.119   3.575  -0.613
  164    HA   HIS  78           HA       HIS  78  -3.144   2.885  -2.428
  165    HB2  HIS  78           HB2      HIS  78  -0.929   1.950  -2.550
  166    HB3  HIS  78           HB1      HIS  78  -1.074   1.261  -0.940
  167    HD1  HIS  78           HD1      HIS  78  -2.021   0.646  -4.514
  168    HD2  HIS  78           HD2      HIS  78  -2.452  -1.081  -0.770
  169    HE1  HIS  78           HE1      HIS  78  -2.757  -1.738  -4.922
  170    H    ILE  79           HN       ILE  79  -2.609   1.914   0.939
  171    HA   ILE  79           HA       ILE  79  -4.871   0.145   0.937
  172    HB   ILE  79           HB       ILE  79  -2.986   1.015   3.115
  173   HG12  ILE  79          HG12      ILE  79  -3.222  -1.472   1.411
  174   HG13  ILE  79          HG11      ILE  79  -1.972  -0.232   1.280
  175   HG21  ILE  79          HG21      ILE  79  -3.871  -0.854   4.408
  176   HG22  ILE  79          HG22      ILE  79  -5.061  -1.172   3.147
  177   HG23  ILE  79          HG23      ILE  79  -5.132   0.330   4.066
  178   HD11  ILE  79          HD11      ILE  79  -1.131  -0.823   3.457
  179   HD12  ILE  79          HD12      ILE  79  -1.193  -2.245   2.398
  180   HD13  ILE  79          HD13      ILE  79  -2.422  -2.015   3.649
  181    H    ARG  80           HN       ARG  80  -4.273   3.486   1.900
  182    HA   ARG  80           HA       ARG  80  -6.671   3.814   3.340
  183    HB2  ARG  80           HB2      ARG  80  -4.788   5.639   1.914
  184    HB3  ARG  80           HB1      ARG  80  -6.287   6.240   2.576
  185    HG2  ARG  80           HG2      ARG  80  -5.611   5.294   4.783
  186    HG3  ARG  80           HG1      ARG  80  -4.046   4.924   4.059
  187    HD2  ARG  80           HD2      ARG  80  -3.757   7.303   3.521
  188    HD3  ARG  80           HD1      ARG  80  -5.287   7.654   4.324
  189    HE   ARG  80           HE       ARG  80  -4.194   6.740   6.385
  190   HH11  ARG  80          HH11      ARG  80  -2.310   8.109   3.771
  191   HH12  ARG  80          HH12      ARG  80  -0.970   8.542   4.793
  192   HH21  ARG  80          HH21      ARG  80  -2.444   7.306   7.731
  193   HH22  ARG  80          HH22      ARG  80  -1.048   8.085   7.052
  194    H    HIS  81           HN       HIS  81  -6.287   2.928   0.191
  195    HA   HIS  81           HA       HIS  81  -8.910   4.061  -0.526
  196    HB2  HIS  81           HB2      HIS  81  -6.683   3.051  -2.305
  197    HB3  HIS  81           HB1      HIS  81  -8.304   3.413  -2.889
  198    HD1  HIS  81           HD1      HIS  81  -5.150   4.890  -2.901
  199    HD2  HIS  81           HD2      HIS  81  -8.934   6.295  -1.889
  200    HE1  HIS  81           HE1      HIS  81  -5.013   7.393  -3.074
  201    HE2  HIS  81           HE2      HIS  81  -7.337   8.222  -2.567
  202    H    HIS  82           HN       HIS  82  -8.174   1.712   1.165
  203    HA   HIS  82           HA       HIS  82  -9.432  -0.442  -0.386
  204    HB2  HIS  82           HB2      HIS  82  -7.309  -0.399   1.639
  205    HB3  HIS  82           HB1      HIS  82  -8.535  -1.625   1.932
  206    HD1  HIS  82           HD1      HIS  82  -8.301  -3.761   0.616
  207    HD2  HIS  82           HD2      HIS  82  -6.090  -0.623  -0.977
  208    HE1  HIS  82           HE1      HIS  82  -6.877  -4.749  -1.225
  209    H    ASP  83           HN       ASP  83 -11.370   1.056   0.152
  210    HA   ASP  83           HA       ASP  83 -12.688  -0.160   2.464
  211    HB2  ASP  83           HB2      ASP  83 -13.819   1.926   2.968
  212    HB3  ASP  83           HB1      ASP  83 -12.075   2.183   3.022
  Start of MODEL   16
    1    H1   LYS  58           HT1      LYS  58  10.593  -7.239   1.847
    2    H2   LYS  58           HT2      LYS  58  11.431  -6.413   0.624
    3    H3   LYS  58           HT3      LYS  58   9.740  -6.515   0.576
    4    HA   LYS  58           HA       LYS  58  11.301  -5.125   2.668
    5    HB2  LYS  58           HB2      LYS  58  10.566  -3.048   1.646
    6    HB3  LYS  58           HB1      LYS  58  11.423  -4.010   0.454
    7    HG2  LYS  58           HG2      LYS  58   9.268  -4.728  -0.489
    8    HG3  LYS  58           HG1      LYS  58   8.436  -3.698   0.679
    9    HD2  LYS  58           HD2      LYS  58   8.574  -2.491  -1.376
   10    HD3  LYS  58           HD1      LYS  58   9.716  -1.755  -0.251
   11    HE2  LYS  58           HE2      LYS  58  10.800  -1.930  -2.369
   12    HE3  LYS  58           HE1      LYS  58  11.515  -3.138  -1.302
   13    HZ1  LYS  58           HZ1      LYS  58   9.414  -3.673  -3.337
   14    HZ2  LYS  58           HZ2      LYS  58  10.145  -4.832  -2.338
   15    HZ3  LYS  58           HZ3      LYS  58  11.064  -4.026  -3.515
   16    HA   PRO  59           HA       PRO  59   7.691  -5.419   5.097
   17    HB2  PRO  59           HB2      PRO  59   8.104  -2.755   6.211
   18    HB3  PRO  59           HB1      PRO  59   8.335  -4.331   6.974
   19    HG2  PRO  59           HG2      PRO  59  10.398  -2.700   6.339
   20    HG3  PRO  59           HG1      PRO  59  10.536  -4.467   6.328
   21    HD2  PRO  59           HD2      PRO  59  10.156  -2.581   4.031
   22    HD3  PRO  59           HD1      PRO  59  11.204  -4.010   4.154
   23    H    TYR  60           HN       TYR  60   7.667  -3.441   2.520
   24    HA   TYR  60           HA       TYR  60   5.146  -2.130   3.275
   25    HB2  TYR  60           HB2      TYR  60   7.118  -1.365   1.115
   26    HB3  TYR  60           HB1      TYR  60   5.622  -0.513   1.487
   27    HD1  TYR  60           HD2      TYR  60   5.418   0.791   3.556
   28    HD2  TYR  60           HD1      TYR  60   9.059  -1.125   2.484
   29    HE1  TYR  60           HE2      TYR  60   6.615   2.171   5.200
   30    HE2  TYR  60           HE1      TYR  60  10.269   0.251   4.130
   31    HH   TYR  60           HH       TYR  60   8.650   2.141   6.483
   32    H    VAL  61           HN       VAL  61   3.897  -3.966   2.790
   33    HA   VAL  61           HA       VAL  61   3.301  -4.190  -0.055
   34    HB   VAL  61           HB       VAL  61   3.419  -6.611   1.762
   35   HG11  VAL  61          HG11      VAL  61   1.758  -6.686  -0.037
   36   HG12  VAL  61          HG12      VAL  61   3.041  -7.875  -0.265
   37   HG13  VAL  61          HG13      VAL  61   3.036  -6.388  -1.220
   38   HG21  VAL  61          HG21      VAL  61   5.329  -5.770  -0.405
   39   HG22  VAL  61          HG22      VAL  61   5.345  -7.329   0.419
   40   HG23  VAL  61          HG23      VAL  61   5.677  -5.851   1.322
   41    H    CYS  62           HN       CYS  62   1.147  -4.482  -0.479
   42    HA   CYS  62           HA       CYS  62  -0.702  -3.804   1.622
   43    HB2  CYS  62           HB2      CYS  62  -1.080  -2.926  -0.604
   44    HB3  CYS  62           HB1      CYS  62  -1.125  -4.548  -1.280
   45    H    GLU  63           HN       GLU  63  -1.141  -5.354   3.074
   46    HA   GLU  63           HA       GLU  63  -1.205  -8.126   2.528
   47    HB2  GLU  63           HB2      GLU  63  -0.980  -6.942   4.793
   48    HB3  GLU  63           HB1      GLU  63  -2.728  -6.762   4.742
   49    HG2  GLU  63           HG2      GLU  63  -2.218  -8.679   6.050
   50    HG3  GLU  63           HG1      GLU  63  -2.915  -9.229   4.526
   51    H    ARG  64           HN       ARG  64  -3.409  -5.598   1.926
   52    HA   ARG  64           HA       ARG  64  -5.775  -7.171   2.001
   53    HB2  ARG  64           HB2      ARG  64  -5.312  -4.411   0.879
   54    HB3  ARG  64           HB1      ARG  64  -6.874  -5.157   1.182
   55    HG2  ARG  64           HG2      ARG  64  -6.172  -5.357   3.588
   56    HG3  ARG  64           HG1      ARG  64  -4.802  -4.331   3.182
   57    HD2  ARG  64           HD2      ARG  64  -6.640  -3.030   4.122
   58    HD3  ARG  64           HD1      ARG  64  -6.300  -2.564   2.456
   59    HE   ARG  64           HE       ARG  64  -8.271  -4.227   2.005
   60   HH11  ARG  64          HH11      ARG  64  -7.990  -2.043   4.740
   61   HH12  ARG  64          HH12      ARG  64  -9.693  -1.713   4.807
   62   HH21  ARG  64          HH21      ARG  64 -10.525  -3.790   2.106
   63   HH22  ARG  64          HH22      ARG  64 -11.135  -2.694   3.312
   64    H    CYS  65           HN       CYS  65  -3.581  -6.111  -0.679
   65    HA   CYS  65           HA       CYS  65  -5.091  -8.074  -2.262
   66    HB2  CYS  65           HB2      CYS  65  -5.412  -6.684  -4.132
   67    HB3  CYS  65           HB1      CYS  65  -5.940  -5.748  -2.730
   68    H    GLY  66           HN       GLY  66  -2.147  -7.244  -1.171
   69    HA2  GLY  66           HA2      GLY  66  -0.274  -8.588  -1.627
   70    HA3  GLY  66           HA1      GLY  66  -0.946  -8.948  -3.215
   71    H    LYS  67           HN       LYS  67  -1.388  -5.914  -3.549
   72    HA   LYS  67           HA       LYS  67   1.000  -5.507  -5.019
   73    HB2  LYS  67           HB2      LYS  67  -1.183  -3.579  -4.237
   74    HB3  LYS  67           HB1      LYS  67   0.113  -3.201  -5.367
   75    HG2  LYS  67           HG2      LYS  67  -0.651  -4.832  -6.916
   76    HG3  LYS  67           HG1      LYS  67  -1.802  -5.490  -5.748
   77    HD2  LYS  67           HD2      LYS  67  -3.022  -4.134  -7.270
   78    HD3  LYS  67           HD1      LYS  67  -2.917  -3.260  -5.741
   79    HE2  LYS  67           HE2      LYS  67  -2.506  -1.743  -7.581
   80    HE3  LYS  67           HE1      LYS  67  -1.031  -1.954  -6.643
   81    HZ1  LYS  67           HZ1      LYS  67  -0.672  -2.008  -9.063
   82    HZ2  LYS  67           HZ2      LYS  67  -1.640  -3.399  -9.164
   83    HZ3  LYS  67           HZ3      LYS  67  -0.184  -3.443  -8.302
   84    H    ARG  68           HN       ARG  68   2.896  -4.704  -4.461
   85    HA   ARG  68           HA       ARG  68   3.173  -3.605  -1.760
   86    HB2  ARG  68           HB2      ARG  68   5.575  -4.266  -2.044
   87    HB3  ARG  68           HB1      ARG  68   4.431  -5.604  -2.014
   88    HG2  ARG  68           HG2      ARG  68   4.494  -5.662  -4.453
   89    HG3  ARG  68           HG1      ARG  68   5.695  -4.370  -4.425
   90    HD2  ARG  68           HD2      ARG  68   6.841  -6.461  -4.702
   91    HD3  ARG  68           HD1      ARG  68   7.163  -5.865  -3.073
   92    HE   ARG  68           HE       ARG  68   4.926  -7.555  -2.974
   93   HH11  ARG  68          HH11      ARG  68   8.353  -7.757  -3.637
   94   HH12  ARG  68          HH12      ARG  68   8.499  -9.389  -3.050
   95   HH21  ARG  68          HH21      ARG  68   5.097  -9.688  -2.216
   96   HH22  ARG  68          HH22      ARG  68   6.646 -10.491  -2.237
   97    H    PHE  69           HN       PHE  69   5.049  -2.054  -1.519
   98    HA   PHE  69           HA       PHE  69   5.340  -0.202  -3.742
   99    HB2  PHE  69           HB2      PHE  69   3.823   0.377  -1.217
  100    HB3  PHE  69           HB1      PHE  69   4.673   1.674  -2.066
  101    HD1  PHE  69           HD2      PHE  69   1.896  -0.696  -2.184
  102    HD2  PHE  69           HD1      PHE  69   3.931   2.427  -4.229
  103    HE1  PHE  69           HE2      PHE  69  -0.008  -0.466  -3.718
  104    HE2  PHE  69           HE1      PHE  69   2.032   2.663  -5.768
  105    HZ   PHE  69           HZ       PHE  69   0.057   1.218  -5.513
  106    H    VAL  70           HN       VAL  70   7.004   1.185  -3.526
  107    HA   VAL  70           HA       VAL  70   9.154   0.329  -1.847
  108    HB   VAL  70           HB       VAL  70   9.244   2.932  -3.312
  109   HG11  VAL  70          HG11      VAL  70  11.175   2.237  -2.057
  110   HG12  VAL  70          HG12      VAL  70  11.537   2.203  -3.784
  111   HG13  VAL  70          HG13      VAL  70  11.220   0.699  -2.919
  112   HG21  VAL  70          HG21      VAL  70   8.127   1.543  -4.917
  113   HG22  VAL  70          HG22      VAL  70   9.296   0.243  -4.673
  114   HG23  VAL  70          HG23      VAL  70   9.804   1.763  -5.413
  115    H    GLN  71           HN       GLN  71   6.811   2.956  -1.908
  116    HA   GLN  71           HA       GLN  71   8.284   4.365   0.163
  117    HB2  GLN  71           HB2      GLN  71   5.959   5.275  -1.529
  118    HB3  GLN  71           HB1      GLN  71   7.026   6.253  -0.546
  119    HG2  GLN  71           HG2      GLN  71   8.884   5.274  -2.119
  120    HG3  GLN  71           HG1      GLN  71   7.508   5.025  -3.190
  121   HE21  GLN  71          HE21      GLN  71   9.462   7.393  -1.554
  122   HE22  GLN  71          HE22      GLN  71   8.910   8.757  -2.469
  123    H    SER  72           HN       SER  72   7.398   4.801   2.109
  124    HA   SER  72           HA       SER  72   5.324   3.192   3.121
  125    HB2  SER  72           HB2      SER  72   5.482   4.754   5.108
  126    HB3  SER  72           HB1      SER  72   7.012   4.028   4.615
  127    HG   SER  72           HG       SER  72   6.258   6.648   4.659
  128    H    SER  73           HN       SER  73   5.431   6.519   1.966
  129    HA   SER  73           HA       SER  73   2.836   7.286   2.669
  130    HB2  SER  73           HB2      SER  73   4.645   8.825   1.903
  131    HB3  SER  73           HB1      SER  73   4.434   8.202   0.267
  132    HG   SER  73           HG       SER  73   3.158  10.189   1.364
  133    H    GLN  74           HN       GLN  74   4.081   5.774  -0.296
  134    HA   GLN  74           HA       GLN  74   1.657   5.910  -1.736
  135    HB2  GLN  74           HB2      GLN  74   4.086   4.137  -2.051
  136    HB3  GLN  74           HB1      GLN  74   2.721   4.119  -3.166
  137    HG2  GLN  74           HG2      GLN  74   3.147   6.435  -3.748
  138    HG3  GLN  74           HG1      GLN  74   4.479   6.495  -2.592
  139   HE21  GLN  74          HE21      GLN  74   4.489   6.904  -5.493
  140   HE22  GLN  74          HE22      GLN  74   5.611   5.750  -6.130
  141    H    LEU  75           HN       LEU  75   3.193   3.547   0.329
  142    HA   LEU  75           HA       LEU  75   1.394   1.438  -0.055
  143    HB2  LEU  75           HB2      LEU  75   3.541   1.100   1.035
  144    HB3  LEU  75           HB1      LEU  75   3.092   2.207   2.329
  145    HG   LEU  75           HG       LEU  75   1.313   0.626   3.017
  146   HD11  LEU  75          HD11      LEU  75   1.359  -1.635   2.083
  147   HD12  LEU  75          HD12      LEU  75   2.547  -1.097   0.894
  148   HD13  LEU  75          HD13      LEU  75   0.919  -0.406   0.892
  149   HD21  LEU  75          HD21      LEU  75   2.800  -1.063   3.977
  150   HD22  LEU  75          HD22      LEU  75   3.487   0.555   4.114
  151   HD23  LEU  75          HD23      LEU  75   4.085  -0.556   2.882
  152    H    ALA  76           HN       ALA  76   1.591   3.636   2.687
  153    HA   ALA  76           HA       ALA  76  -0.871   3.071   3.818
  154    HB1  ALA  76           HB1      ALA  76   0.479   5.772   3.753
  155    HB2  ALA  76           HB2      ALA  76   0.833   4.480   4.900
  156    HB3  ALA  76           HB3      ALA  76  -0.755   5.244   4.897
  157    H    ASN  77           HN       ASN  77  -0.092   5.401   1.231
  158    HA   ASN  77           HA       ASN  77  -2.704   6.453   0.996
  159    HB2  ASN  77           HB2      ASN  77  -0.696   7.413  -0.117
  160    HB3  ASN  77           HB1      ASN  77  -0.682   6.039  -1.217
  161   HD21  ASN  77          HD21      ASN  77  -0.948   7.315  -3.023
  162   HD22  ASN  77          HD22      ASN  77  -2.461   8.103  -3.385
  163    H    HIS  78           HN       HIS  78  -1.143   3.631  -0.424
  164    HA   HIS  78           HA       HIS  78  -3.172   2.913  -2.226
  165    HB2  HIS  78           HB2      HIS  78  -0.903   2.037  -2.337
  166    HB3  HIS  78           HB1      HIS  78  -1.111   1.238  -0.780
  167    HD1  HIS  78           HD1      HIS  78  -2.156   0.972  -4.396
  168    HD2  HIS  78           HD2      HIS  78  -2.406  -1.157  -0.819
  169    HE1  HIS  78           HE1      HIS  78  -2.902  -1.360  -5.011
  170    H    ILE  79           HN       ILE  79  -2.475   1.665   1.052
  171    HA   ILE  79           HA       ILE  79  -4.756  -0.010   1.078
  172    HB   ILE  79           HB       ILE  79  -2.859   0.915   3.222
  173   HG12  ILE  79          HG12      ILE  79  -2.377  -1.549   3.261
  174   HG13  ILE  79          HG11      ILE  79  -3.422  -1.727   1.858
  175   HG21  ILE  79          HG21      ILE  79  -3.952  -0.649   4.750
  176   HG22  ILE  79          HG22      ILE  79  -5.214  -0.921   3.550
  177   HG23  ILE  79          HG23      ILE  79  -5.022   0.671   4.285
  178   HD11  ILE  79          HD11      ILE  79  -1.917  -0.210   0.631
  179   HD12  ILE  79          HD12      ILE  79  -1.136  -1.695   1.170
  180   HD13  ILE  79          HD13      ILE  79  -0.852  -0.184   2.034
  181    H    ARG  80           HN       ARG  80  -4.175   3.320   2.212
  182    HA   ARG  80           HA       ARG  80  -6.603   3.681   3.529
  183    HB2  ARG  80           HB2      ARG  80  -4.683   5.473   2.116
  184    HB3  ARG  80           HB1      ARG  80  -6.195   6.100   2.714
  185    HG2  ARG  80           HG2      ARG  80  -5.602   5.234   4.967
  186    HG3  ARG  80           HG1      ARG  80  -4.023   4.799   4.315
  187    HD2  ARG  80           HD2      ARG  80  -3.593   7.118   3.749
  188    HD3  ARG  80           HD1      ARG  80  -5.192   7.572   4.340
  189    HE   ARG  80           HE       ARG  80  -3.484   6.247   6.276
  190   HH11  ARG  80          HH11      ARG  80  -4.525   9.315   4.931
  191   HH12  ARG  80          HH12      ARG  80  -4.129  10.221   6.361
  192   HH21  ARG  80          HH21      ARG  80  -2.974   7.437   8.156
  193   HH22  ARG  80          HH22      ARG  80  -3.262   9.145   8.198
  194    H    HIS  81           HN       HIS  81  -5.845   3.437   0.173
  195    HA   HIS  81           HA       HIS  81  -8.339   4.565  -0.760
  196    HB2  HIS  81           HB2      HIS  81  -6.131   4.657  -2.011
  197    HB3  HIS  81           HB1      HIS  81  -6.322   2.936  -2.316
  198    HD1  HIS  81           HD1      HIS  81  -7.890   2.245  -4.211
  199    HD2  HIS  81           HD2      HIS  81  -7.995   6.320  -3.375
  200    HE1  HIS  81           HE1      HIS  81  -9.191   3.289  -6.087
  201    HE2  HIS  81           HE2      HIS  81  -9.084   5.773  -5.657
  202    H    HIS  82           HN       HIS  82  -7.514   1.724   0.697
  203    HA   HIS  82           HA       HIS  82  -9.145  -0.035  -0.926
  204    HB2  HIS  82           HB2      HIS  82  -7.272  -0.366   1.325
  205    HB3  HIS  82           HB1      HIS  82  -8.622  -1.494   1.295
  206    HD1  HIS  82           HD1      HIS  82  -8.698  -3.212  -0.664
  207    HD2  HIS  82           HD2      HIS  82  -5.417  -0.653  -0.701
  208    HE1  HIS  82           HE1      HIS  82  -7.065  -4.161  -2.356
  209    H    ASP  83           HN       ASP  83 -10.992   1.491  -0.561
  210    HA   ASP  83           HA       ASP  83 -12.437   1.077   1.905
  211    HB2  ASP  83           HB2      ASP  83 -12.850   3.150   0.768
  212    HB3  ASP  83           HB1      ASP  83 -13.218   2.315  -0.741
  Start of MODEL   17
    1    H1   LYS  58           HT1      LYS  58  12.508  -5.401  -0.544
    2    H2   LYS  58           HT2      LYS  58  11.164  -6.432  -0.437
    3    H3   LYS  58           HT3      LYS  58  12.008  -5.991   0.967
    4    HA   LYS  58           HA       LYS  58  11.357  -3.690   0.665
    5    HB2  LYS  58           HB2      LYS  58   9.770  -4.823  -1.654
    6    HB3  LYS  58           HB1      LYS  58   9.618  -3.182  -1.036
    7    HG2  LYS  58           HG2      LYS  58  11.883  -2.679  -1.662
    8    HG3  LYS  58           HG1      LYS  58  12.163  -4.352  -2.139
    9    HD2  LYS  58           HD2      LYS  58  10.469  -4.113  -3.906
   10    HD3  LYS  58           HD1      LYS  58  10.239  -2.425  -3.438
   11    HE2  LYS  58           HE2      LYS  58  12.540  -1.921  -3.988
   12    HE3  LYS  58           HE1      LYS  58  12.853  -3.615  -4.353
   13    HZ1  LYS  58           HZ1      LYS  58  11.237  -3.464  -6.167
   14    HZ2  LYS  58           HZ2      LYS  58  12.516  -2.376  -6.371
   15    HZ3  LYS  58           HZ3      LYS  58  11.008  -1.817  -5.840
   16    HA   PRO  59           HA       PRO  59   8.624  -5.808   3.515
   17    HB2  PRO  59           HB2      PRO  59   8.732  -3.290   5.010
   18    HB3  PRO  59           HB1      PRO  59   9.300  -4.899   5.480
   19    HG2  PRO  59           HG2      PRO  59  11.003  -2.893   4.916
   20    HG3  PRO  59           HG1      PRO  59  11.381  -4.583   4.524
   21    HD2  PRO  59           HD2      PRO  59  10.365  -2.401   2.732
   22    HD3  PRO  59           HD1      PRO  59  11.634  -3.608   2.427
   23    H    TYR  60           HN       TYR  60   7.994  -2.843   1.871
   24    HA   TYR  60           HA       TYR  60   5.434  -2.460   3.169
   25    HB2  TYR  60           HB2      TYR  60   6.837  -0.879   1.011
   26    HB3  TYR  60           HB1      TYR  60   5.296  -0.429   1.743
   27    HD1  TYR  60           HD2      TYR  60   5.294  -0.292   4.335
   28    HD2  TYR  60           HD1      TYR  60   8.801  -0.054   1.947
   29    HE1  TYR  60           HE2      TYR  60   6.478   0.813   6.190
   30    HE2  TYR  60           HE1      TYR  60   9.996   1.051   3.794
   31    HH   TYR  60           HH       TYR  60   8.899   1.052   6.934
   32    H    VAL  61           HN       VAL  61   4.294  -4.256   2.540
   33    HA   VAL  61           HA       VAL  61   3.318  -4.149  -0.224
   34    HB   VAL  61           HB       VAL  61   3.587  -6.660   1.444
   35   HG11  VAL  61          HG11      VAL  61   2.899  -6.279  -1.465
   36   HG12  VAL  61          HG12      VAL  61   1.761  -6.673  -0.176
   37   HG13  VAL  61          HG13      VAL  61   3.026  -7.821  -0.610
   38   HG21  VAL  61          HG21      VAL  61   5.785  -5.845   0.835
   39   HG22  VAL  61          HG22      VAL  61   5.280  -5.694  -0.846
   40   HG23  VAL  61          HG23      VAL  61   5.388  -7.288  -0.098
   41    H    CYS  62           HN       CYS  62   1.142  -4.203  -0.458
   42    HA   CYS  62           HA       CYS  62  -0.518  -3.819   1.846
   43    HB2  CYS  62           HB2      CYS  62  -1.108  -2.797  -0.320
   44    HB3  CYS  62           HB1      CYS  62  -1.284  -4.390  -1.024
   45    H    GLU  63           HN       GLU  63  -0.576  -5.559   3.180
   46    HA   GLU  63           HA       GLU  63  -0.539  -8.249   2.423
   47    HB2  GLU  63           HB2      GLU  63  -1.871  -7.090   4.880
   48    HB3  GLU  63           HB1      GLU  63  -1.315  -8.743   4.670
   49    HG2  GLU  63           HG2      GLU  63   1.005  -7.845   4.445
   50    HG3  GLU  63           HG1      GLU  63   0.369  -6.262   4.889
   51    H    ARG  64           HN       ARG  64  -2.985  -5.949   2.078
   52    HA   ARG  64           HA       ARG  64  -5.158  -7.796   2.413
   53    HB2  ARG  64           HB2      ARG  64  -5.228  -4.889   1.609
   54    HB3  ARG  64           HB1      ARG  64  -6.582  -5.863   2.165
   55    HG2  ARG  64           HG2      ARG  64  -5.206  -6.233   4.291
   56    HG3  ARG  64           HG1      ARG  64  -4.209  -4.901   3.722
   57    HD2  ARG  64           HD2      ARG  64  -6.137  -3.426   3.718
   58    HD3  ARG  64           HD1      ARG  64  -7.184  -4.766   4.215
   59    HE   ARG  64           HE       ARG  64  -4.960  -3.761   5.887
   60   HH11  ARG  64          HH11      ARG  64  -8.271  -4.873   5.513
   61   HH12  ARG  64          HH12      ARG  64  -8.625  -4.782   7.207
   62   HH21  ARG  64          HH21      ARG  64  -5.419  -3.682   8.112
   63   HH22  ARG  64          HH22      ARG  64  -6.995  -4.136   8.697
   64    H    CYS  65           HN       CYS  65  -3.537  -6.133  -0.360
   65    HA   CYS  65           HA       CYS  65  -5.170  -7.993  -1.979
   66    HB2  CYS  65           HB2      CYS  65  -5.533  -6.397  -3.713
   67    HB3  CYS  65           HB1      CYS  65  -6.015  -5.648  -2.186
   68    H    GLY  66           HN       GLY  66  -2.141  -7.320  -1.026
   69    HA2  GLY  66           HA2      GLY  66  -0.318  -8.638  -1.663
   70    HA3  GLY  66           HA1      GLY  66  -1.129  -8.988  -3.185
   71    H    LYS  67           HN       LYS  67  -1.483  -5.841  -3.255
   72    HA   LYS  67           HA       LYS  67   0.801  -5.510  -4.976
   73    HB2  LYS  67           HB2      LYS  67  -1.420  -3.616  -4.200
   74    HB3  LYS  67           HB1      LYS  67  -0.184  -3.264  -5.406
   75    HG2  LYS  67           HG2      LYS  67  -0.961  -4.947  -6.847
   76    HG3  LYS  67           HG1      LYS  67  -1.956  -5.676  -5.584
   77    HD2  LYS  67           HD2      LYS  67  -3.424  -3.779  -5.587
   78    HD3  LYS  67           HD1      LYS  67  -2.387  -2.930  -6.741
   79    HE2  LYS  67           HE2      LYS  67  -3.945  -5.469  -7.219
   80    HE3  LYS  67           HE1      LYS  67  -4.282  -3.878  -7.898
   81    HZ1  LYS  67           HZ1      LYS  67  -1.830  -5.477  -8.426
   82    HZ2  LYS  67           HZ2      LYS  67  -2.195  -3.966  -9.100
   83    HZ3  LYS  67           HZ3      LYS  67  -3.144  -5.314  -9.482
   84    H    ARG  68           HN       ARG  68   2.628  -4.340  -4.627
   85    HA   ARG  68           HA       ARG  68   2.965  -3.376  -1.887
   86    HB2  ARG  68           HB2      ARG  68   5.373  -3.949  -2.233
   87    HB3  ARG  68           HB1      ARG  68   4.275  -5.323  -2.186
   88    HG2  ARG  68           HG2      ARG  68   4.381  -5.560  -4.541
   89    HG3  ARG  68           HG1      ARG  68   5.267  -4.040  -4.701
   90    HD2  ARG  68           HD2      ARG  68   7.178  -4.964  -3.601
   91    HD3  ARG  68           HD1      ARG  68   6.289  -6.425  -3.178
   92    HE   ARG  68           HE       ARG  68   6.157  -6.682  -5.747
   93   HH11  ARG  68          HH11      ARG  68   8.851  -5.317  -3.997
   94   HH12  ARG  68          HH12      ARG  68  10.048  -5.888  -5.120
   95   HH21  ARG  68          HH21      ARG  68   7.699  -7.452  -7.217
   96   HH22  ARG  68          HH22      ARG  68   9.387  -7.116  -6.963
   97    H    PHE  69           HN       PHE  69   4.860  -1.902  -1.647
   98    HA   PHE  69           HA       PHE  69   5.278   0.017  -3.781
   99    HB2  PHE  69           HB2      PHE  69   3.659   0.522  -1.323
  100    HB3  PHE  69           HB1      PHE  69   4.721   1.807  -1.902
  101    HD1  PHE  69           HD1      PHE  69   4.357   2.805  -4.118
  102    HD2  PHE  69           HD2      PHE  69   1.666  -0.069  -2.497
  103    HE1  PHE  69           HE1      PHE  69   2.662   3.467  -5.772
  104    HE2  PHE  69           HE2      PHE  69  -0.035   0.592  -4.149
  105    HZ   PHE  69           HZ       PHE  69   0.462   2.362  -5.787
  106    H    VAL  70           HN       VAL  70   7.023   1.356  -3.369
  107    HA   VAL  70           HA       VAL  70   8.945   0.272  -1.511
  108    HB   VAL  70           HB       VAL  70   9.008   2.067  -3.882
  109   HG11  VAL  70          HG11      VAL  70  10.088   3.455  -2.244
  110   HG12  VAL  70          HG12      VAL  70  11.281   2.816  -3.374
  111   HG13  VAL  70          HG13      VAL  70  11.134   2.121  -1.760
  112   HG21  VAL  70          HG21      VAL  70  10.803  -0.148  -2.918
  113   HG22  VAL  70          HG22      VAL  70  10.919   0.671  -4.476
  114   HG23  VAL  70          HG23      VAL  70   9.498  -0.303  -4.094
  115    H    GLN  71           HN       GLN  71   6.943   3.109  -2.040
  116    HA   GLN  71           HA       GLN  71   8.205   4.593   0.062
  117    HB2  GLN  71           HB2      GLN  71   5.700   5.307  -1.430
  118    HB3  GLN  71           HB1      GLN  71   6.982   6.352  -0.838
  119    HG2  GLN  71           HG2      GLN  71   7.489   6.408  -3.035
  120    HG3  GLN  71           HG1      GLN  71   8.425   4.999  -2.583
  121   HE21  GLN  71          HE21      GLN  71   5.742   6.195  -4.383
  122   HE22  GLN  71          HE22      GLN  71   5.339   4.714  -5.178
  123    H    SER  72           HN       SER  72   7.480   4.614   2.084
  124    HA   SER  72           HA       SER  72   5.492   2.827   2.969
  125    HB2  SER  72           HB2      SER  72   7.426   3.640   4.348
  126    HB3  SER  72           HB1      SER  72   6.607   5.196   4.489
  127    HG   SER  72           HG       SER  72   6.131   3.907   6.282
  128    H    SER  73           HN       SER  73   5.522   6.255   2.278
  129    HA   SER  73           HA       SER  73   2.950   6.855   3.272
  130    HB2  SER  73           HB2      SER  73   4.662   8.581   2.770
  131    HB3  SER  73           HB1      SER  73   4.492   8.227   1.053
  132    HG   SER  73           HG       SER  73   3.169  10.008   2.295
  133    H    GLN  74           HN       GLN  74   4.114   5.601   0.157
  134    HA   GLN  74           HA       GLN  74   1.569   6.091  -1.106
  135    HB2  GLN  74           HB2      GLN  74   3.999   4.579  -2.074
  136    HB3  GLN  74           HB1      GLN  74   2.582   4.953  -3.057
  137    HG2  GLN  74           HG2      GLN  74   4.461   6.940  -1.801
  138    HG3  GLN  74           HG1      GLN  74   4.368   6.516  -3.509
  139   HE21  GLN  74          HE21      GLN  74   4.010   9.071  -2.076
  140   HE22  GLN  74          HE22      GLN  74   2.452   9.659  -2.576
  141    H    LEU  75           HN       LEU  75   3.167   3.550   0.572
  142    HA   LEU  75           HA       LEU  75   1.471   1.419  -0.106
  143    HB2  LEU  75           HB2      LEU  75   3.464   0.917   1.086
  144    HB3  LEU  75           HB1      LEU  75   3.103   2.105   2.336
  145    HG   LEU  75           HG       LEU  75   1.235   0.673   3.105
  146   HD11  LEU  75          HD11      LEU  75   0.862  -0.421   0.945
  147   HD12  LEU  75          HD12      LEU  75   1.020  -1.564   2.282
  148   HD13  LEU  75          HD13      LEU  75   2.367  -1.316   1.169
  149   HD21  LEU  75          HD21      LEU  75   3.919  -0.683   2.991
  150   HD22  LEU  75          HD22      LEU  75   2.627  -1.040   4.137
  151   HD23  LEU  75          HD23      LEU  75   3.419   0.533   4.167
  152    H    ALA  76           HN       ALA  76   1.393   3.574   2.679
  153    HA   ALA  76           HA       ALA  76  -1.190   2.937   3.551
  154    HB1  ALA  76           HB1      ALA  76   0.239   5.596   3.800
  155    HB2  ALA  76           HB2      ALA  76   0.417   4.233   4.904
  156    HB3  ALA  76           HB3      ALA  76  -1.133   5.055   4.765
  157    H    ASN  77           HN       ASN  77  -0.056   5.326   1.162
  158    HA   ASN  77           HA       ASN  77  -2.539   6.491   0.585
  159    HB2  ASN  77           HB2      ASN  77  -0.408   7.309  -0.355
  160    HB3  ASN  77           HB1      ASN  77  -0.287   5.862  -1.349
  161   HD21  ASN  77          HD21      ASN  77  -0.244   7.039  -3.245
  162   HD22  ASN  77          HD22      ASN  77  -1.668   7.812  -3.885
  163    H    HIS  78           HN       HIS  78  -1.019   3.559  -0.702
  164    HA   HIS  78           HA       HIS  78  -2.987   2.825  -2.542
  165    HB2  HIS  78           HB2      HIS  78  -0.837   1.756  -2.527
  166    HB3  HIS  78           HB1      HIS  78  -1.055   1.217  -0.864
  167    HD1  HIS  78           HD1      HIS  78  -2.431   0.516  -4.348
  168    HD2  HIS  78           HD2      HIS  78  -2.116  -1.216  -0.584
  169    HE1  HIS  78           HE1      HIS  78  -3.215  -1.880  -4.599
  170    H    ILE  79           HN       ILE  79  -2.619   1.861   0.858
  171    HA   ILE  79           HA       ILE  79  -4.982   0.244   0.818
  172    HB   ILE  79           HB       ILE  79  -3.199   1.111   3.086
  173   HG12  ILE  79          HG12      ILE  79  -3.343  -1.368   1.360
  174   HG13  ILE  79          HG11      ILE  79  -2.053  -0.162   1.370
  175   HG21  ILE  79          HG21      ILE  79  -5.318  -1.033   2.989
  176   HG22  ILE  79          HG22      ILE  79  -5.399   0.468   3.914
  177   HG23  ILE  79          HG23      ILE  79  -4.197  -0.758   4.319
  178   HD11  ILE  79          HD11      ILE  79  -1.458  -2.229   2.524
  179   HD12  ILE  79          HD12      ILE  79  -2.777  -1.944   3.669
  180   HD13  ILE  79          HD13      ILE  79  -1.419  -0.815   3.586
  181    H    ARG  80           HN       ARG  80  -4.290   3.592   1.695
  182    HA   ARG  80           HA       ARG  80  -6.609   4.140   3.142
  183    HB2  ARG  80           HB2      ARG  80  -4.719   5.686   1.441
  184    HB3  ARG  80           HB1      ARG  80  -6.208   6.441   1.941
  185    HG2  ARG  80           HG2      ARG  80  -4.273   5.199   3.862
  186    HG3  ARG  80           HG1      ARG  80  -4.225   6.893   3.393
  187    HD2  ARG  80           HD2      ARG  80  -5.437   6.916   5.382
  188    HD3  ARG  80           HD1      ARG  80  -6.687   6.953   4.141
  189    HE   ARG  80           HE       ARG  80  -5.901   4.396   5.369
  190   HH11  ARG  80          HH11      ARG  80  -8.335   6.816   4.666
  191   HH12  ARG  80          HH12      ARG  80  -9.638   5.891   5.351
  192   HH21  ARG  80          HH21      ARG  80  -7.614   3.186   6.295
  193   HH22  ARG  80          HH22      ARG  80  -9.219   3.855   6.320
  194    H    HIS  81           HN       HIS  81  -6.193   3.347  -0.165
  195    HA   HIS  81           HA       HIS  81  -8.853   4.369  -0.851
  196    HB2  HIS  81           HB2      HIS  81  -6.601   3.287  -2.544
  197    HB3  HIS  81           HB1      HIS  81  -8.214   3.584  -3.191
  198    HD1  HIS  81           HD1      HIS  81  -5.047   5.257  -2.383
  199    HD2  HIS  81           HD2      HIS  81  -8.981   6.383  -3.123
  200    HE1  HIS  81           HE1      HIS  81  -4.971   7.720  -2.871
  201    HE2  HIS  81           HE2      HIS  81  -7.379   8.412  -3.117
  202    H    HIS  82           HN       HIS  82  -8.059   1.966   0.848
  203    HA   HIS  82           HA       HIS  82  -9.522  -0.106  -0.609
  204    HB2  HIS  82           HB2      HIS  82  -7.545  -0.107   1.571
  205    HB3  HIS  82           HB1      HIS  82  -8.878  -1.222   1.811
  206    HD1  HIS  82           HD1      HIS  82  -8.959  -1.693  -1.506
  207    HD2  HIS  82           HD2      HIS  82  -5.878  -2.269   1.220
  208    HE1  HIS  82           HE1      HIS  82  -7.331  -3.309  -2.589
  209    H    ASP  83           HN       ASP  83 -11.443   1.289  -0.422
  210    HA   ASP  83           HA       ASP  83 -12.749   1.513   2.110
  211    HB2  ASP  83           HB2      ASP  83 -13.344   3.037   0.304
  212    HB3  ASP  83           HB1      ASP  83 -13.855   1.675  -0.704
  Start of MODEL   18
    1    H1   LYS  58           HT1      LYS  58  12.388  -2.581  -1.351
    2    H2   LYS  58           HT2      LYS  58  10.905  -3.327  -1.696
    3    H3   LYS  58           HT3      LYS  58  12.124  -4.192  -0.904
    4    HA   LYS  58           HA       LYS  58  11.952  -2.826   1.026
    5    HB2  LYS  58           HB2      LYS  58   9.843  -1.356  -0.573
    6    HB3  LYS  58           HB1      LYS  58  10.136  -1.114   1.143
    7    HG2  LYS  58           HG2      LYS  58  12.125  -0.597  -1.060
    8    HG3  LYS  58           HG1      LYS  58  11.162   0.629  -0.233
    9    HD2  LYS  58           HD2      LYS  58  13.144  -1.210   1.110
   10    HD3  LYS  58           HD1      LYS  58  13.480   0.454   0.629
   11    HE2  LYS  58           HE2      LYS  58  11.706   1.242   2.119
   12    HE3  LYS  58           HE1      LYS  58  11.359  -0.421   2.591
   13    HZ1  LYS  58           HZ1      LYS  58  13.628  -0.579   3.469
   14    HZ2  LYS  58           HZ2      LYS  58  12.729   0.638   4.237
   15    HZ3  LYS  58           HZ3      LYS  58  13.891   1.054   3.080
   16    HA   PRO  59           HA       PRO  59   8.908  -5.871   2.086
   17    HB2  PRO  59           HB2      PRO  59   8.987  -4.979   4.837
   18    HB3  PRO  59           HB1      PRO  59   9.716  -6.421   4.118
   19    HG2  PRO  59           HG2      PRO  59  11.162  -4.315   5.088
   20    HG3  PRO  59           HG1      PRO  59  11.735  -5.401   3.810
   21    HD2  PRO  59           HD2      PRO  59  10.543  -2.664   3.579
   22    HD3  PRO  59           HD1      PRO  59  11.909  -3.380   2.694
   23    H    TYR  60           HN       TYR  60   7.891  -3.260   1.222
   24    HA   TYR  60           HA       TYR  60   5.648  -2.837   3.066
   25    HB2  TYR  60           HB2      TYR  60   6.813  -1.093   0.891
   26    HB3  TYR  60           HB1      TYR  60   5.295  -0.734   1.705
   27    HD1  TYR  60           HD1      TYR  60   8.889  -1.368   2.367
   28    HD2  TYR  60           HD2      TYR  60   5.308   0.514   3.684
   29    HE1  TYR  60           HE1      TYR  60  10.145  -0.231   4.153
   30    HE2  TYR  60           HE2      TYR  60   6.553   1.646   5.472
   31    HH   TYR  60           HH       TYR  60   9.959   1.719   5.581
   32    H    VAL  61           HN       VAL  61   4.240  -4.405   2.498
   33    HA   VAL  61           HA       VAL  61   3.261  -4.335  -0.264
   34    HB   VAL  61           HB       VAL  61   4.425  -6.438   0.088
   35   HG11  VAL  61          HG11      VAL  61   3.651  -8.041   1.791
   36   HG12  VAL  61          HG12      VAL  61   2.597  -6.788   2.452
   37   HG13  VAL  61          HG13      VAL  61   4.349  -6.579   2.489
   38   HG21  VAL  61          HG21      VAL  61   1.434  -6.784   0.138
   39   HG22  VAL  61          HG22      VAL  61   2.592  -8.017  -0.360
   40   HG23  VAL  61          HG23      VAL  61   2.439  -6.525  -1.289
   41    H    CYS  62           HN       CYS  62   1.117  -4.175  -0.528
   42    HA   CYS  62           HA       CYS  62  -0.592  -3.564   1.675
   43    HB2  CYS  62           HB2      CYS  62  -0.884  -2.736  -0.699
   44    HB3  CYS  62           HB1      CYS  62  -1.380  -4.354  -1.129
   45    H    GLU  63           HN       GLU  63  -0.672  -5.324   3.086
   46    HA   GLU  63           HA       GLU  63  -0.863  -8.014   2.282
   47    HB2  GLU  63           HB2      GLU  63  -1.721  -6.683   4.852
   48    HB3  GLU  63           HB1      GLU  63  -1.633  -8.423   4.616
   49    HG2  GLU  63           HG2      GLU  63   0.770  -8.242   4.194
   50    HG3  GLU  63           HG1      GLU  63   0.674  -6.498   4.445
   51    H    ARG  64           HN       ARG  64  -3.134  -5.542   2.127
   52    HA   ARG  64           HA       ARG  64  -5.453  -7.178   2.350
   53    HB2  ARG  64           HB2      ARG  64  -5.157  -4.388   1.251
   54    HB3  ARG  64           HB1      ARG  64  -6.665  -5.182   1.680
   55    HG2  ARG  64           HG2      ARG  64  -5.765  -5.395   4.009
   56    HG3  ARG  64           HG1      ARG  64  -4.441  -4.354   3.508
   57    HD2  ARG  64           HD2      ARG  64  -6.117  -3.022   4.598
   58    HD3  ARG  64           HD1      ARG  64  -6.069  -2.615   2.879
   59    HE   ARG  64           HE       ARG  64  -8.057  -4.391   2.917
   60   HH11  ARG  64          HH11      ARG  64  -7.373  -1.797   5.173
   61   HH12  ARG  64          HH12      ARG  64  -9.049  -1.431   5.471
   62   HH21  ARG  64          HH21      ARG  64 -10.275  -3.919   3.321
   63   HH22  ARG  64          HH22      ARG  64 -10.687  -2.628   4.414
   64    H    CYS  65           HN       CYS  65  -3.455  -5.998  -0.431
   65    HA   CYS  65           HA       CYS  65  -5.168  -7.824  -2.017
   66    HB2  CYS  65           HB2      CYS  65  -5.155  -6.338  -3.920
   67    HB3  CYS  65           HB1      CYS  65  -5.761  -5.480  -2.505
   68    H    GLY  66           HN       GLY  66  -2.053  -7.203  -1.008
   69    HA2  GLY  66           HA2      GLY  66  -0.311  -8.730  -1.404
   70    HA3  GLY  66           HA1      GLY  66  -1.102  -9.209  -2.904
   71    H    LYS  67           HN       LYS  67  -1.205  -5.996  -3.172
   72    HA   LYS  67           HA       LYS  67   1.140  -6.008  -4.889
   73    HB2  LYS  67           HB2      LYS  67  -0.987  -3.892  -4.517
   74    HB3  LYS  67           HB1      LYS  67   0.205  -3.955  -5.813
   75    HG2  LYS  67           HG2      LYS  67  -0.775  -5.870  -6.769
   76    HG3  LYS  67           HG1      LYS  67  -1.754  -6.178  -5.335
   77    HD2  LYS  67           HD2      LYS  67  -3.215  -5.284  -6.958
   78    HD3  LYS  67           HD1      LYS  67  -2.903  -3.993  -5.800
   79    HE2  LYS  67           HE2      LYS  67  -1.426  -2.890  -7.287
   80    HE3  LYS  67           HE1      LYS  67  -1.361  -4.281  -8.368
   81    HZ1  LYS  67           HZ1      LYS  67  -2.779  -2.592  -9.285
   82    HZ2  LYS  67           HZ2      LYS  67  -3.722  -2.541  -7.878
   83    HZ3  LYS  67           HZ3      LYS  67  -3.727  -3.927  -8.852
   84    H    ARG  68           HN       ARG  68   3.012  -4.986  -4.516
   85    HA   ARG  68           HA       ARG  68   3.377  -3.757  -1.923
   86    HB2  ARG  68           HB2      ARG  68   5.313  -4.607  -4.070
   87    HB3  ARG  68           HB1      ARG  68   5.775  -3.952  -2.500
   88    HG2  ARG  68           HG2      ARG  68   4.589  -5.791  -1.415
   89    HG3  ARG  68           HG1      ARG  68   4.247  -6.475  -3.005
   90    HD2  ARG  68           HD2      ARG  68   6.960  -6.016  -1.796
   91    HD3  ARG  68           HD1      ARG  68   6.160  -7.570  -2.014
   92    HE   ARG  68           HE       ARG  68   6.873  -5.884  -4.325
   93   HH11  ARG  68          HH11      ARG  68   6.912  -8.952  -2.644
   94   HH12  ARG  68          HH12      ARG  68   7.814  -9.770  -3.891
   95   HH21  ARG  68          HH21      ARG  68   8.044  -6.950  -5.966
   96   HH22  ARG  68          HH22      ARG  68   8.473  -8.628  -5.774
   97    H    PHE  69           HN       PHE  69   4.798  -1.977  -1.657
   98    HA   PHE  69           HA       PHE  69   5.026  -0.014  -3.795
   99    HB2  PHE  69           HB2      PHE  69   3.399   0.330  -1.316
  100    HB3  PHE  69           HB1      PHE  69   4.334   1.707  -1.906
  101    HD1  PHE  69           HD2      PHE  69   1.740  -0.749  -2.861
  102    HD2  PHE  69           HD1      PHE  69   3.573   2.988  -3.716
  103    HE1  PHE  69           HE2      PHE  69  -0.059  -0.242  -4.451
  104    HE2  PHE  69           HE1      PHE  69   1.767   3.509  -5.308
  105    HZ   PHE  69           HZ       PHE  69   0.046   1.878  -5.787
  106    H    VAL  70           HN       VAL  70   6.661   1.417  -3.473
  107    HA   VAL  70           HA       VAL  70   8.788   0.379  -1.862
  108    HB   VAL  70           HB       VAL  70   8.620   2.570  -3.933
  109   HG11  VAL  70          HG11      VAL  70  11.023   1.560  -2.452
  110   HG12  VAL  70          HG12      VAL  70  10.296   3.160  -2.329
  111   HG13  VAL  70          HG13      VAL  70  11.055   2.652  -3.837
  112   HG21  VAL  70          HG21      VAL  70   8.412   0.305  -4.809
  113   HG22  VAL  70          HG22      VAL  70   9.902  -0.163  -3.988
  114   HG23  VAL  70          HG23      VAL  70   9.949   1.022  -5.294
  115    H    GLN  71           HN       GLN  71   6.615   3.139  -1.950
  116    HA   GLN  71           HA       GLN  71   8.140   4.493   0.120
  117    HB2  GLN  71           HB2      GLN  71   5.688   5.360  -1.413
  118    HB3  GLN  71           HB1      GLN  71   6.731   6.357  -0.420
  119    HG2  GLN  71           HG2      GLN  71   8.597   5.746  -2.025
  120    HG3  GLN  71           HG1      GLN  71   7.323   5.139  -3.077
  121   HE21  GLN  71          HE21      GLN  71   7.657   6.642  -4.682
  122   HE22  GLN  71          HE22      GLN  71   7.275   8.318  -4.487
  123    H    SER  72           HN       SER  72   7.482   4.508   2.181
  124    HA   SER  72           HA       SER  72   5.421   2.907   3.173
  125    HB2  SER  72           HB2      SER  72   7.314   3.711   4.544
  126    HB3  SER  72           HB1      SER  72   6.682   5.354   4.448
  127    HG   SER  72           HG       SER  72   6.064   4.362   6.394
  128    H    SER  73           HN       SER  73   5.545   6.351   2.447
  129    HA   SER  73           HA       SER  73   2.988   7.076   3.283
  130    HB2  SER  73           HB2      SER  73   4.374   8.274   0.884
  131    HB3  SER  73           HB1      SER  73   3.319   9.075   2.051
  132    HG   SER  73           HG       SER  73   5.517   9.557   2.449
  133    H    GLN  74           HN       GLN  74   4.116   5.804   0.159
  134    HA   GLN  74           HA       GLN  74   1.577   6.229  -1.103
  135    HB2  GLN  74           HB2      GLN  74   4.082   4.800  -2.004
  136    HB3  GLN  74           HB1      GLN  74   2.631   4.945  -2.998
  137    HG2  GLN  74           HG2      GLN  74   4.244   7.247  -1.916
  138    HG3  GLN  74           HG1      GLN  74   4.339   6.613  -3.558
  139   HE21  GLN  74          HE21      GLN  74   2.455   8.447  -1.294
  140   HE22  GLN  74          HE22      GLN  74   1.321   9.077  -2.434
  141    H    LEU  75           HN       LEU  75   3.199   3.650   0.559
  142    HA   LEU  75           HA       LEU  75   1.490   1.538  -0.154
  143    HB2  LEU  75           HB2      LEU  75   3.501   1.036   1.036
  144    HB3  LEU  75           HB1      LEU  75   3.076   2.138   2.346
  145    HG   LEU  75           HG       LEU  75   1.202   0.631   2.956
  146   HD11  LEU  75          HD11      LEU  75   1.147  -1.604   1.986
  147   HD12  LEU  75          HD12      LEU  75   2.412  -1.128   0.850
  148   HD13  LEU  75          HD13      LEU  75   0.833  -0.340   0.797
  149   HD21  LEU  75          HD21      LEU  75   3.344   0.432   4.107
  150   HD22  LEU  75          HD22      LEU  75   3.908  -0.701   2.878
  151   HD23  LEU  75          HD23      LEU  75   2.568  -1.141   3.935
  152    H    ALA  76           HN       ALA  76   1.441   3.551   2.739
  153    HA   ALA  76           HA       ALA  76  -1.117   2.888   3.621
  154    HB1  ALA  76           HB1      ALA  76  -1.067   4.990   4.874
  155    HB2  ALA  76           HB2      ALA  76   0.302   5.544   3.910
  156    HB3  ALA  76           HB3      ALA  76   0.483   4.158   4.988
  157    H    ASN  77           HN       ASN  77  -0.044   5.337   1.288
  158    HA   ASN  77           HA       ASN  77  -2.521   6.536   0.779
  159    HB2  ASN  77           HB2      ASN  77  -0.323   7.283  -0.155
  160    HB3  ASN  77           HB1      ASN  77  -0.364   5.909  -1.253
  161   HD21  ASN  77          HD21      ASN  77  -3.113   7.884  -0.295
  162   HD22  ASN  77          HD22      ASN  77  -3.402   8.564  -1.873
  163    H    HIS  78           HN       HIS  78  -1.022   3.656  -0.612
  164    HA   HIS  78           HA       HIS  78  -3.001   3.013  -2.485
  165    HB2  HIS  78           HB2      HIS  78  -0.802   2.034  -2.586
  166    HB3  HIS  78           HB1      HIS  78  -0.981   1.337  -0.978
  167    HD1  HIS  78           HD1      HIS  78  -2.294   0.887  -4.520
  168    HD2  HIS  78           HD2      HIS  78  -2.019  -1.117  -0.892
  169    HE1  HIS  78           HE1      HIS  78  -3.005  -1.500  -4.976
  170    H    ILE  79           HN       ILE  79  -2.502   1.812   0.827
  171    HA   ILE  79           HA       ILE  79  -4.786   0.108   0.778
  172    HB   ILE  79           HB       ILE  79  -3.127   1.116   3.089
  173   HG12  ILE  79          HG12      ILE  79  -2.957  -1.264   1.239
  174   HG13  ILE  79          HG11      ILE  79  -1.740  -0.011   1.518
  175   HG21  ILE  79          HG21      ILE  79  -5.019  -1.223   2.915
  176   HG22  ILE  79          HG22      ILE  79  -5.294   0.263   3.821
  177   HG23  ILE  79          HG23      ILE  79  -3.989  -0.828   4.289
  178   HD11  ILE  79          HD11      ILE  79  -1.244  -2.216   2.525
  179   HD12  ILE  79          HD12      ILE  79  -2.635  -1.974   3.593
  180   HD13  ILE  79          HD13      ILE  79  -1.260  -0.865   3.670
  181    H    ARG  80           HN       ARG  80  -4.269   3.474   1.809
  182    HA   ARG  80           HA       ARG  80  -6.705   3.812   3.120
  183    HB2  ARG  80           HB2      ARG  80  -4.860   5.623   1.640
  184    HB3  ARG  80           HB1      ARG  80  -6.405   6.203   2.205
  185    HG2  ARG  80           HG2      ARG  80  -5.527   5.024   4.445
  186    HG3  ARG  80           HG1      ARG  80  -3.994   5.505   3.713
  187    HD2  ARG  80           HD2      ARG  80  -4.722   7.273   5.135
  188    HD3  ARG  80           HD1      ARG  80  -4.912   7.799   3.463
  189    HE   ARG  80           HE       ARG  80  -7.339   6.721   4.193
  190   HH11  ARG  80          HH11      ARG  80  -5.312   9.374   5.248
  191   HH12  ARG  80          HH12      ARG  80  -6.637  10.313   5.869
  192   HH21  ARG  80          HH21      ARG  80  -9.087   7.921   5.028
  193   HH22  ARG  80          HH22      ARG  80  -8.790   9.469   5.771
  194    H    HIS  81           HN       HIS  81  -5.992   3.324  -0.214
  195    HA   HIS  81           HA       HIS  81  -8.555   4.350  -1.120
  196    HB2  HIS  81           HB2      HIS  81  -6.326   2.928  -2.591
  197    HB3  HIS  81           HB1      HIS  81  -7.818   3.468  -3.354
  198    HD1  HIS  81           HD1      HIS  81  -8.021   6.267  -2.002
  199    HD2  HIS  81           HD2      HIS  81  -4.568   4.695  -3.720
  200    HE1  HIS  81           HE1      HIS  81  -6.595   8.249  -2.601
  201    HE2  HIS  81           HE2      HIS  81  -4.597   7.285  -3.794
  202    H    HIS  82           HN       HIS  82  -7.681   1.699   0.532
  203    HA   HIS  82           HA       HIS  82  -9.441  -0.161  -0.848
  204    HB2  HIS  82           HB2      HIS  82  -7.465  -0.350   1.362
  205    HB3  HIS  82           HB1      HIS  82  -8.833  -1.439   1.460
  206    HD1  HIS  82           HD1      HIS  82  -8.897  -1.773  -1.822
  207    HD2  HIS  82           HD2      HIS  82  -5.760  -2.387   0.829
  208    HE1  HIS  82           HE1      HIS  82  -7.208  -3.254  -3.021
  209    H    ASP  83           HN       ASP  83 -10.098   2.450   0.687
  210    HA   ASP  83           HA       ASP  83 -12.213   1.372   2.409
  211    HB2  ASP  83           HB2      ASP  83 -10.778   3.081   3.431
  212    HB3  ASP  83           HB1      ASP  83 -11.180   4.208   2.129
  Start of MODEL   19
    1    H1   LYS  58           HT1      LYS  58  12.243  -4.092  -0.152
    2    H2   LYS  58           HT2      LYS  58  12.098  -3.354  -1.664
    3    H3   LYS  58           HT3      LYS  58  11.519  -4.932  -1.438
    4    HA   LYS  58           HA       LYS  58  10.462  -2.454  -0.207
    5    HB2  LYS  58           HB2      LYS  58   9.396  -4.315  -2.331
    6    HB3  LYS  58           HB1      LYS  58   8.341  -3.251  -1.414
    7    HG2  LYS  58           HG2      LYS  58   8.763  -2.109  -3.399
    8    HG3  LYS  58           HG1      LYS  58   9.828  -1.349  -2.219
    9    HD2  LYS  58           HD2      LYS  58  11.015  -1.687  -4.293
   10    HD3  LYS  58           HD1      LYS  58  11.687  -2.743  -3.048
   11    HE2  LYS  58           HE2      LYS  58  10.387  -4.616  -3.940
   12    HE3  LYS  58           HE1      LYS  58   9.714  -3.559  -5.181
   13    HZ1  LYS  58           HZ1      LYS  58  12.608  -4.139  -4.858
   14    HZ2  LYS  58           HZ2      LYS  58  11.884  -3.258  -6.113
   15    HZ3  LYS  58           HZ3      LYS  58  11.589  -4.924  -5.966
   16    HA   PRO  59           HA       PRO  59   9.180  -5.609   2.792
   17    HB2  PRO  59           HB2      PRO  59   9.313  -3.620   4.828
   18    HB3  PRO  59           HB1      PRO  59  10.454  -4.941   4.540
   19    HG2  PRO  59           HG2      PRO  59  10.998  -2.227   4.225
   20    HG3  PRO  59           HG1      PRO  59  11.954  -3.558   3.557
   21    HD2  PRO  59           HD2      PRO  59   9.927  -1.823   2.230
   22    HD3  PRO  59           HD1      PRO  59  11.409  -2.545   1.567
   23    H    TYR  60           HN       TYR  60   7.940  -2.815   1.517
   24    HA   TYR  60           HA       TYR  60   5.581  -2.748   3.233
   25    HB2  TYR  60           HB2      TYR  60   6.691  -0.808   1.202
   26    HB3  TYR  60           HB1      TYR  60   5.103  -0.612   1.939
   27    HD1  TYR  60           HD1      TYR  60   8.720  -0.503   2.522
   28    HD2  TYR  60           HD2      TYR  60   4.871  -0.025   4.259
   29    HE1  TYR  60           HE1      TYR  60   9.750   0.570   4.480
   30    HE2  TYR  60           HE2      TYR  60   5.883   1.059   6.224
   31    HH   TYR  60           HH       TYR  60   7.988   1.205   7.374
   32    H    VAL  61           HN       VAL  61   4.025  -4.037   2.646
   33    HA   VAL  61           HA       VAL  61   3.291  -4.226  -0.189
   34    HB   VAL  61           HB       VAL  61   4.380  -6.314   0.440
   35   HG11  VAL  61          HG11      VAL  61   4.109  -6.218   2.842
   36   HG12  VAL  61          HG12      VAL  61   3.455  -7.737   2.227
   37   HG13  VAL  61          HG13      VAL  61   2.365  -6.423   2.676
   38   HG21  VAL  61          HG21      VAL  61   2.513  -6.490  -1.074
   39   HG22  VAL  61          HG22      VAL  61   1.389  -6.577   0.281
   40   HG23  VAL  61          HG23      VAL  61   2.536  -7.887   0.002
   41    H    CYS  62           HN       CYS  62   1.107  -4.139  -0.603
   42    HA   CYS  62           HA       CYS  62  -0.638  -3.149   1.406
   43    HB2  CYS  62           HB2      CYS  62  -0.910  -2.702  -1.043
   44    HB3  CYS  62           HB1      CYS  62  -1.391  -4.378  -1.247
   45    H    GLU  63           HN       GLU  63  -1.031  -4.435   3.076
   46    HA   GLU  63           HA       GLU  63  -1.101  -7.154   3.287
   47    HB2  GLU  63           HB2      GLU  63  -2.897  -5.186   4.721
   48    HB3  GLU  63           HB1      GLU  63  -2.527  -6.817   5.263
   49    HG2  GLU  63           HG2      GLU  63  -0.308  -4.882   4.796
   50    HG3  GLU  63           HG1      GLU  63  -1.268  -4.778   6.270
   51    H    ARG  64           HN       ARG  64  -3.566  -5.059   1.972
   52    HA   ARG  64           HA       ARG  64  -5.619  -7.040   2.147
   53    HB2  ARG  64           HB2      ARG  64  -5.678  -4.373   0.743
   54    HB3  ARG  64           HB1      ARG  64  -7.061  -5.368   1.170
   55    HG2  ARG  64           HG2      ARG  64  -6.286  -5.130   3.581
   56    HG3  ARG  64           HG1      ARG  64  -5.222  -3.858   2.989
   57    HD2  ARG  64           HD2      ARG  64  -7.251  -2.742   2.018
   58    HD3  ARG  64           HD1      ARG  64  -8.233  -3.934   2.878
   59    HE   ARG  64           HE       ARG  64  -6.424  -2.680   4.665
   60   HH11  ARG  64          HH11      ARG  64  -9.472  -2.159   2.988
   61   HH12  ARG  64          HH12      ARG  64  -9.989  -0.903   4.078
   62   HH21  ARG  64          HH21      ARG  64  -7.087  -1.026   6.069
   63   HH22  ARG  64          HH22      ARG  64  -8.622  -0.239   5.818
   64    H    CYS  65           HN       CYS  65  -3.717  -5.622  -0.635
   65    HA   CYS  65           HA       CYS  65  -5.120  -7.689  -2.224
   66    HB2  CYS  65           HB2      CYS  65  -5.082  -6.263  -4.155
   67    HB3  CYS  65           HB1      CYS  65  -5.713  -5.333  -2.799
   68    H    GLY  66           HN       GLY  66  -2.147  -6.881  -0.980
   69    HA2  GLY  66           HA2      GLY  66  -0.307  -8.303  -1.095
   70    HA3  GLY  66           HA1      GLY  66  -0.978  -9.020  -2.554
   71    H    LYS  67           HN       LYS  67  -1.102  -5.773  -3.109
   72    HA   LYS  67           HA       LYS  67   1.250  -5.914  -4.782
   73    HB2  LYS  67           HB2      LYS  67  -0.741  -3.688  -4.348
   74    HB3  LYS  67           HB1      LYS  67   0.513  -3.706  -5.584
   75    HG2  LYS  67           HG2      LYS  67  -0.506  -5.526  -6.712
   76    HG3  LYS  67           HG1      LYS  67  -1.619  -5.815  -5.374
   77    HD2  LYS  67           HD2      LYS  67  -2.830  -4.705  -7.085
   78    HD3  LYS  67           HD1      LYS  67  -2.557  -3.543  -5.785
   79    HE2  LYS  67           HE2      LYS  67  -2.169  -2.532  -7.978
   80    HE3  LYS  67           HE1      LYS  67  -0.688  -2.581  -7.026
   81    HZ1  LYS  67           HZ1      LYS  67  -0.375  -3.246  -9.366
   82    HZ2  LYS  67           HZ2      LYS  67  -1.405  -4.563  -9.118
   83    HZ3  LYS  67           HZ3      LYS  67   0.062  -4.469  -8.278
   84    H    ARG  68           HN       ARG  68   3.210  -5.381  -4.163
   85    HA   ARG  68           HA       ARG  68   3.704  -3.930  -1.750
   86    HB2  ARG  68           HB2      ARG  68   5.506  -5.043  -3.890
   87    HB3  ARG  68           HB1      ARG  68   6.092  -4.244  -2.435
   88    HG2  ARG  68           HG2      ARG  68   4.914  -5.899  -1.076
   89    HG3  ARG  68           HG1      ARG  68   4.429  -6.732  -2.556
   90    HD2  ARG  68           HD2      ARG  68   7.285  -6.194  -1.807
   91    HD3  ARG  68           HD1      ARG  68   6.439  -7.678  -1.383
   92    HE   ARG  68           HE       ARG  68   6.293  -7.121  -4.177
   93   HH11  ARG  68          HH11      ARG  68   8.375  -8.398  -1.668
   94   HH12  ARG  68          HH12      ARG  68   9.260  -9.431  -2.751
   95   HH21  ARG  68          HH21      ARG  68   7.441  -8.485  -5.608
   96   HH22  ARG  68          HH22      ARG  68   8.701  -9.514  -4.986
   97    H    PHE  69           HN       PHE  69   5.133  -2.144  -1.592
   98    HA   PHE  69           HA       PHE  69   5.200  -0.283  -3.830
   99    HB2  PHE  69           HB2      PHE  69   3.632   0.082  -1.320
  100    HB3  PHE  69           HB1      PHE  69   4.459   1.486  -2.004
  101    HD1  PHE  69           HD2      PHE  69   1.941  -1.123  -2.664
  102    HD2  PHE  69           HD1      PHE  69   3.648   2.552  -3.949
  103    HE1  PHE  69           HE2      PHE  69   0.068  -0.806  -4.224
  104    HE2  PHE  69           HE1      PHE  69   1.777   2.880  -5.508
  105    HZ   PHE  69           HZ       PHE  69   0.079   1.133  -5.770
  106    H    VAL  70           HN       VAL  70   6.699   1.258  -3.671
  107    HA   VAL  70           HA       VAL  70   9.019   0.544  -2.166
  108    HB   VAL  70           HB       VAL  70   8.381   2.571  -4.298
  109   HG11  VAL  70          HG11      VAL  70  10.984   2.218  -2.845
  110   HG12  VAL  70          HG12      VAL  70   9.938   3.638  -2.829
  111   HG13  VAL  70          HG13      VAL  70  10.760   3.165  -4.316
  112   HG21  VAL  70          HG21      VAL  70   8.641   0.281  -5.049
  113   HG22  VAL  70          HG22      VAL  70  10.199   0.166  -4.228
  114   HG23  VAL  70          HG23      VAL  70  10.002   1.258  -5.600
  115    H    GLN  71           HN       GLN  71   6.537   3.038  -2.177
  116    HA   GLN  71           HA       GLN  71   7.996   4.643  -0.259
  117    HB2  GLN  71           HB2      GLN  71   5.389   5.066  -1.725
  118    HB3  GLN  71           HB1      GLN  71   6.287   6.263  -0.813
  119    HG2  GLN  71           HG2      GLN  71   7.672   4.906  -3.037
  120    HG3  GLN  71           HG1      GLN  71   6.445   6.097  -3.432
  121   HE21  GLN  71          HE21      GLN  71   7.913   7.518  -4.317
  122   HE22  GLN  71          HE22      GLN  71   9.055   8.406  -3.360
  123    H    SER  72           HN       SER  72   7.520   4.542   1.837
  124    HA   SER  72           HA       SER  72   5.679   2.780   2.973
  125    HB2  SER  72           HB2      SER  72   6.681   5.313   4.284
  126    HB3  SER  72           HB1      SER  72   6.256   3.785   5.059
  127    HG   SER  72           HG       SER  72   8.579   4.232   4.721
  128    H    SER  73           HN       SER  73   5.504   6.247   2.333
  129    HA   SER  73           HA       SER  73   2.933   6.635   3.441
  130    HB2  SER  73           HB2      SER  73   4.630   8.445   2.976
  131    HB3  SER  73           HB1      SER  73   4.240   8.287   1.264
  132    HG   SER  73           HG       SER  73   3.061   9.966   2.366
  133    H    GLN  74           HN       GLN  74   4.053   5.619   0.251
  134    HA   GLN  74           HA       GLN  74   1.558   6.186  -1.043
  135    HB2  GLN  74           HB2      GLN  74   3.845   6.161  -2.172
  136    HB3  GLN  74           HB1      GLN  74   3.767   4.402  -2.071
  137    HG2  GLN  74           HG2      GLN  74   3.078   5.187  -4.257
  138    HG3  GLN  74           HG1      GLN  74   1.745   4.400  -3.416
  139   HE21  GLN  74          HE21      GLN  74   3.000   7.410  -4.608
  140   HE22  GLN  74          HE22      GLN  74   1.542   8.326  -4.409
  141    H    LEU  75           HN       LEU  75   3.130   3.487   0.500
  142    HA   LEU  75           HA       LEU  75   1.349   1.458  -0.226
  143    HB2  LEU  75           HB2      LEU  75   3.332   0.823   0.939
  144    HB3  LEU  75           HB1      LEU  75   2.990   1.938   2.262
  145    HG   LEU  75           HG       LEU  75   0.986   0.536   2.811
  146   HD11  LEU  75          HD11      LEU  75   0.858  -1.680   1.886
  147   HD12  LEU  75          HD12      LEU  75   2.268  -1.357   0.876
  148   HD13  LEU  75          HD13      LEU  75   0.767  -0.463   0.609
  149   HD21  LEU  75          HD21      LEU  75   2.242  -1.234   3.901
  150   HD22  LEU  75          HD22      LEU  75   3.061   0.319   4.065
  151   HD23  LEU  75          HD23      LEU  75   3.643  -0.869   2.897
  152    H    ALA  76           HN       ALA  76   1.397   3.325   2.757
  153    HA   ALA  76           HA       ALA  76  -1.127   2.645   3.670
  154    HB1  ALA  76           HB1      ALA  76  -1.027   4.648   5.054
  155    HB2  ALA  76           HB2      ALA  76   0.277   5.294   4.055
  156    HB3  ALA  76           HB3      ALA  76   0.543   3.845   5.026
  157    H    ASN  77           HN       ASN  77  -0.158   5.211   1.401
  158    HA   ASN  77           HA       ASN  77  -2.738   6.350   1.151
  159    HB2  ASN  77           HB2      ASN  77  -0.610   7.354   0.249
  160    HB3  ASN  77           HB1      ASN  77  -0.654   6.154  -1.039
  161   HD21  ASN  77          HD21      ASN  77  -0.848   7.668  -2.652
  162   HD22  ASN  77          HD22      ASN  77  -2.302   8.598  -2.897
  163    H    HIS  78           HN       HIS  78  -1.114   3.708  -0.532
  164    HA   HIS  78           HA       HIS  78  -3.065   3.127  -2.449
  165    HB2  HIS  78           HB2      HIS  78  -0.841   2.214  -2.591
  166    HB3  HIS  78           HB1      HIS  78  -1.001   1.431  -1.026
  167    HD1  HIS  78           HD1      HIS  78  -2.111   1.061  -4.624
  168    HD2  HIS  78           HD2      HIS  78  -2.090  -1.017  -1.037
  169    HE1  HIS  78           HE1      HIS  78  -2.746  -1.317  -5.189
  170    H    ILE  79           HN       ILE  79  -2.570   1.756   0.802
  171    HA   ILE  79           HA       ILE  79  -4.826   0.031   0.661
  172    HB   ILE  79           HB       ILE  79  -3.235   0.979   3.042
  173   HG12  ILE  79          HG12      ILE  79  -2.971  -1.309   1.102
  174   HG13  ILE  79          HG11      ILE  79  -1.771  -0.082   1.512
  175   HG21  ILE  79          HG21      ILE  79  -5.122  -1.349   2.727
  176   HG22  ILE  79          HG22      ILE  79  -5.380   0.082   3.725
  177   HG23  ILE  79          HG23      ILE  79  -4.094  -1.054   4.126
  178   HD11  ILE  79          HD11      ILE  79  -1.326  -2.336   2.426
  179   HD12  ILE  79          HD12      ILE  79  -2.775  -2.157   3.425
  180   HD13  ILE  79          HD13      ILE  79  -1.410  -1.056   3.641
  181    H    ARG  80           HN       ARG  80  -4.323   3.314   1.995
  182    HA   ARG  80           HA       ARG  80  -6.798   3.569   3.240
  183    HB2  ARG  80           HB2      ARG  80  -4.850   5.461   2.001
  184    HB3  ARG  80           HB1      ARG  80  -6.379   6.042   2.605
  185    HG2  ARG  80           HG2      ARG  80  -4.394   4.492   4.227
  186    HG3  ARG  80           HG1      ARG  80  -4.534   6.246   4.230
  187    HD2  ARG  80           HD2      ARG  80  -6.844   6.048   5.047
  188    HD3  ARG  80           HD1      ARG  80  -6.689   4.292   5.041
  189    HE   ARG  80           HE       ARG  80  -4.615   5.303   6.602
  190   HH11  ARG  80          HH11      ARG  80  -8.127   5.196   6.674
  191   HH12  ARG  80          HH12      ARG  80  -8.209   5.208   8.415
  192   HH21  ARG  80          HH21      ARG  80  -4.740   5.378   8.889
  193   HH22  ARG  80          HH22      ARG  80  -6.297   5.343   9.660
  194    H    HIS  81           HN       HIS  81  -6.016   3.444  -0.125
  195    HA   HIS  81           HA       HIS  81  -8.603   4.533  -0.890
  196    HB2  HIS  81           HB2      HIS  81  -6.220   3.574  -2.446
  197    HB3  HIS  81           HB1      HIS  81  -7.779   3.782  -3.238
  198    HD1  HIS  81           HD1      HIS  81  -8.772   6.244  -3.230
  199    HD2  HIS  81           HD2      HIS  81  -4.809   5.889  -2.013
  200    HE1  HIS  81           HE1      HIS  81  -7.817   8.572  -3.336
  201    HE2  HIS  81           HE2      HIS  81  -5.406   8.334  -2.624
  202    H    HIS  82           HN       HIS  82  -7.692   1.747   0.425
  203    HA   HIS  82           HA       HIS  82  -9.487   0.031  -1.116
  204    HB2  HIS  82           HB2      HIS  82  -7.496  -0.377   1.065
  205    HB3  HIS  82           HB1      HIS  82  -8.864  -1.469   1.033
  206    HD1  HIS  82           HD1      HIS  82  -8.838  -1.569  -2.267
  207    HD2  HIS  82           HD2      HIS  82  -5.779  -2.323   0.433
  208    HE1  HIS  82           HE1      HIS  82  -7.126  -3.027  -3.484
  209    H    ASP  83           HN       ASP  83  -9.723   2.380   1.117
  210    HA   ASP  83           HA       ASP  83 -11.931   1.140   2.598
  211    HB2  ASP  83           HB2      ASP  83 -10.043   2.008   3.947
  212    HB3  ASP  83           HB1      ASP  83 -10.315   3.612   3.259
  Start of MODEL   20
    1    H1   LYS  58           HT1      LYS  58  12.533  -4.045   1.489
    2    H2   LYS  58           HT2      LYS  58  12.939  -2.763   0.451
    3    H3   LYS  58           HT3      LYS  58  11.701  -3.840   0.028
    4    HA   LYS  58           HA       LYS  58  11.637  -2.051   2.380
    5    HB2  LYS  58           HB2      LYS  58  11.599  -0.891   0.133
    6    HB3  LYS  58           HB1      LYS  58  10.112  -1.761  -0.215
    7    HG2  LYS  58           HG2      LYS  58   9.788   0.574   0.581
    8    HG3  LYS  58           HG1      LYS  58   8.957  -0.648   1.547
    9    HD2  LYS  58           HD2      LYS  58  10.532  -0.489   3.290
   10    HD3  LYS  58           HD1      LYS  58  11.680   0.387   2.279
   11    HE2  LYS  58           HE2      LYS  58   8.982   1.506   2.995
   12    HE3  LYS  58           HE1      LYS  58  10.404   1.739   4.014
   13    HZ1  LYS  58           HZ1      LYS  58  10.147   2.569   1.170
   14    HZ2  LYS  58           HZ2      LYS  58  11.530   2.765   2.132
   15    HZ3  LYS  58           HZ3      LYS  58  10.105   3.599   2.518
   16    HA   PRO  59           HA       PRO  59   8.702  -5.312   3.278
   17    HB2  PRO  59           HB2      PRO  59   8.513  -4.897   5.898
   18    HB3  PRO  59           HB1      PRO  59  10.005  -5.527   5.178
   19    HG2  PRO  59           HG2      PRO  59   9.332  -2.721   5.980
   20    HG3  PRO  59           HG1      PRO  59  10.802  -3.651   6.328
   21    HD2  PRO  59           HD2      PRO  59  10.618  -1.846   4.294
   22    HD3  PRO  59           HD1      PRO  59  11.682  -3.267   4.239
   23    H    TYR  60           HN       TYR  60   7.557  -3.024   2.064
   24    HA   TYR  60           HA       TYR  60   5.164  -2.757   3.739
   25    HB2  TYR  60           HB2      TYR  60   6.740  -0.631   2.432
   26    HB3  TYR  60           HB1      TYR  60   4.989  -0.496   2.270
   27    HD1  TYR  60           HD1      TYR  60   7.766  -0.673   4.684
   28    HD2  TYR  60           HD2      TYR  60   3.617   0.079   4.147
   29    HE1  TYR  60           HE1      TYR  60   7.658   0.283   6.946
   30    HE2  TYR  60           HE2      TYR  60   3.491   1.036   6.411
   31    HH   TYR  60           HH       TYR  60   4.700   0.976   8.522
   32    H    VAL  61           HN       VAL  61   3.968  -4.264   2.829
   33    HA   VAL  61           HA       VAL  61   3.211  -3.885   0.020
   34    HB   VAL  61           HB       VAL  61   3.329  -6.517   1.518
   35   HG11  VAL  61          HG11      VAL  61   2.909  -7.531  -0.652
   36   HG12  VAL  61          HG12      VAL  61   2.821  -5.933  -1.392
   37   HG13  VAL  61          HG13      VAL  61   1.605  -6.427  -0.212
   38   HG21  VAL  61          HG21      VAL  61   5.569  -5.731   1.110
   39   HG22  VAL  61          HG22      VAL  61   5.172  -5.379  -0.570
   40   HG23  VAL  61          HG23      VAL  61   5.203  -7.050  -0.006
   41    H    CYS  62           HN       CYS  62   1.039  -4.078  -0.430
   42    HA   CYS  62           HA       CYS  62  -0.847  -3.624   1.664
   43    HB2  CYS  62           HB2      CYS  62  -1.134  -2.840  -0.692
   44    HB3  CYS  62           HB1      CYS  62  -1.338  -4.506  -1.184
   45    H    GLU  63           HN       GLU  63  -0.743  -5.327   3.099
   46    HA   GLU  63           HA       GLU  63  -0.692  -8.043   2.530
   47    HB2  GLU  63           HB2      GLU  63  -0.524  -6.749   4.779
   48    HB3  GLU  63           HB1      GLU  63  -2.273  -6.916   4.826
   49    HG2  GLU  63           HG2      GLU  63  -1.380  -8.679   6.106
   50    HG3  GLU  63           HG1      GLU  63  -1.933  -9.392   4.589
   51    H    ARG  64           HN       ARG  64  -3.156  -5.763   2.069
   52    HA   ARG  64           HA       ARG  64  -5.340  -7.595   2.367
   53    HB2  ARG  64           HB2      ARG  64  -5.380  -4.697   1.535
   54    HB3  ARG  64           HB1      ARG  64  -6.731  -5.653   2.147
   55    HG2  ARG  64           HG2      ARG  64  -5.436  -5.994   4.249
   56    HG3  ARG  64           HG1      ARG  64  -4.248  -4.855   3.633
   57    HD2  ARG  64           HD2      ARG  64  -5.926  -3.094   3.588
   58    HD3  ARG  64           HD1      ARG  64  -7.151  -4.237   4.171
   59    HE   ARG  64           HE       ARG  64  -4.929  -4.252   5.911
   60   HH11  ARG  64          HH11      ARG  64  -7.571  -2.134   4.994
   61   HH12  ARG  64          HH12      ARG  64  -7.696  -1.416   6.574
   62   HH21  ARG  64          HH21      ARG  64  -5.083  -3.312   7.954
   63   HH22  ARG  64          HH22      ARG  64  -6.283  -2.094   8.268
   64    H    CYS  65           HN       CYS  65  -3.542  -6.180  -0.410
   65    HA   CYS  65           HA       CYS  65  -5.207  -8.073  -1.936
   66    HB2  CYS  65           HB2      CYS  65  -5.596  -6.661  -3.760
   67    HB3  CYS  65           HB1      CYS  65  -5.941  -5.682  -2.332
   68    H    GLY  66           HN       GLY  66  -2.114  -7.169  -1.102
   69    HA2  GLY  66           HA2      GLY  66  -0.317  -8.621  -1.557
   70    HA3  GLY  66           HA1      GLY  66  -1.115  -9.111  -3.047
   71    H    LYS  67           HN       LYS  67  -1.341  -5.863  -3.165
   72    HA   LYS  67           HA       LYS  67   1.007  -5.709  -4.879
   73    HB2  LYS  67           HB2      LYS  67  -1.180  -3.678  -4.421
   74    HB3  LYS  67           HB1      LYS  67   0.098  -3.553  -5.623
   75    HG2  LYS  67           HG2      LYS  67  -2.116  -5.582  -5.523
   76    HG3  LYS  67           HG1      LYS  67  -1.889  -4.292  -6.705
   77    HD2  LYS  67           HD2      LYS  67   0.174  -5.359  -7.476
   78    HD3  LYS  67           HD1      LYS  67  -0.047  -6.647  -6.289
   79    HE2  LYS  67           HE2      LYS  67  -2.184  -7.234  -7.374
   80    HE3  LYS  67           HE1      LYS  67  -1.889  -5.989  -8.586
   81    HZ1  LYS  67           HZ1      LYS  67  -0.269  -8.432  -8.111
   82    HZ2  LYS  67           HZ2      LYS  67   0.178  -7.189  -9.174
   83    HZ3  LYS  67           HZ3      LYS  67  -1.234  -8.086  -9.469
   84    H    ARG  68           HN       ARG  68   2.633  -4.119  -4.669
   85    HA   ARG  68           HA       ARG  68   2.944  -3.194  -1.908
   86    HB2  ARG  68           HB2      ARG  68   5.354  -3.762  -2.198
   87    HB3  ARG  68           HB1      ARG  68   4.261  -5.140  -2.158
   88    HG2  ARG  68           HG2      ARG  68   4.401  -5.391  -4.512
   89    HG3  ARG  68           HG1      ARG  68   5.309  -3.887  -4.667
   90    HD2  ARG  68           HD2      ARG  68   6.237  -6.360  -3.207
   91    HD3  ARG  68           HD1      ARG  68   6.757  -5.872  -4.822
   92    HE   ARG  68           HE       ARG  68   7.608  -3.791  -3.675
   93   HH11  ARG  68          HH11      ARG  68   7.325  -6.853  -1.996
   94   HH12  ARG  68          HH12      ARG  68   8.637  -6.516  -0.907
   95   HH21  ARG  68          HH21      ARG  68   9.324  -3.354  -2.255
   96   HH22  ARG  68          HH22      ARG  68   9.773  -4.525  -1.053
   97    H    PHE  69           HN       PHE  69   4.874  -1.693  -1.698
   98    HA   PHE  69           HA       PHE  69   5.252   0.116  -3.945
   99    HB2  PHE  69           HB2      PHE  69   3.885   0.785  -1.373
  100    HB3  PHE  69           HB1      PHE  69   4.995   1.977  -2.063
  101    HD1  PHE  69           HD1      PHE  69   4.484   3.106  -4.128
  102    HD2  PHE  69           HD2      PHE  69   1.804   0.218  -2.491
  103    HE1  PHE  69           HE1      PHE  69   2.725   3.867  -5.671
  104    HE2  PHE  69           HE2      PHE  69   0.047   0.984  -4.040
  105    HZ   PHE  69           HZ       PHE  69   0.505   2.805  -5.627
  106    H    VAL  70           HN       VAL  70   6.870   1.804  -3.253
  107    HA   VAL  70           HA       VAL  70   9.027   0.454  -1.813
  108    HB   VAL  70           HB       VAL  70   8.895   2.255  -4.188
  109   HG11  VAL  70          HG11      VAL  70  10.204   3.593  -2.674
  110   HG12  VAL  70          HG12      VAL  70  11.226   2.935  -3.953
  111   HG13  VAL  70          HG13      VAL  70  11.263   2.225  -2.338
  112   HG21  VAL  70          HG21      VAL  70   9.279  -0.109  -4.502
  113   HG22  VAL  70          HG22      VAL  70  10.672  -0.052  -3.422
  114   HG23  VAL  70          HG23      VAL  70  10.718   0.798  -4.965
  115    H    GLN  71           HN       GLN  71   6.838   3.034  -1.964
  116    HA   GLN  71           HA       GLN  71   8.266   4.635   0.007
  117    HB2  GLN  71           HB2      GLN  71   5.750   5.245  -1.543
  118    HB3  GLN  71           HB1      GLN  71   6.840   6.378  -0.764
  119    HG2  GLN  71           HG2      GLN  71   7.723   4.639  -3.026
  120    HG3  GLN  71           HG1      GLN  71   6.950   6.189  -3.290
  121   HE21  GLN  71          HE21      GLN  71   8.761   7.080  -4.268
  122   HE22  GLN  71          HE22      GLN  71  10.197   7.476  -3.390
  123    H    SER  72           HN       SER  72   7.560   4.617   2.065
  124    HA   SER  72           HA       SER  72   5.654   2.770   2.967
  125    HB2  SER  72           HB2      SER  72   7.549   3.743   4.309
  126    HB3  SER  72           HB1      SER  72   6.623   5.239   4.427
  127    HG   SER  72           HG       SER  72   5.176   4.283   5.720
  128    H    SER  73           HN       SER  73   5.499   6.246   2.390
  129    HA   SER  73           HA       SER  73   2.875   6.582   3.391
  130    HB2  SER  73           HB2      SER  73   4.531   8.430   3.128
  131    HB3  SER  73           HB1      SER  73   4.330   8.316   1.380
  132    HG   SER  73           HG       SER  73   2.808   9.729   1.747
  133    H    GLN  74           HN       GLN  74   4.142   5.567   0.269
  134    HA   GLN  74           HA       GLN  74   1.675   6.189  -1.087
  135    HB2  GLN  74           HB2      GLN  74   4.156   4.734  -2.007
  136    HB3  GLN  74           HB1      GLN  74   2.754   5.033  -3.033
  137    HG2  GLN  74           HG2      GLN  74   3.087   7.490  -2.515
  138    HG3  GLN  74           HG1      GLN  74   4.646   7.027  -1.841
  139   HE21  GLN  74          HE21      GLN  74   3.191   5.466  -4.608
  140   HE22  GLN  74          HE22      GLN  74   4.325   6.051  -5.778
  141    H    LEU  75           HN       LEU  75   3.173   3.469   0.476
  142    HA   LEU  75           HA       LEU  75   1.344   1.532  -0.541
  143    HB2  LEU  75           HB2      LEU  75   3.667   1.175   0.561
  144    HB3  LEU  75           HB1      LEU  75   2.811   1.343   2.088
  145    HG   LEU  75           HG       LEU  75   3.194  -1.015   1.466
  146   HD11  LEU  75          HD11      LEU  75   0.945  -1.816   1.832
  147   HD12  LEU  75          HD12      LEU  75   0.297  -0.237   1.378
  148   HD13  LEU  75          HD13      LEU  75   1.268  -0.405   2.845
  149   HD21  LEU  75          HD21      LEU  75   1.384  -0.405  -0.862
  150   HD22  LEU  75          HD22      LEU  75   1.946  -2.006  -0.382
  151   HD23  LEU  75          HD23      LEU  75   3.101  -0.801  -0.953
  152    H    ALA  76           HN       ALA  76   1.538   3.582   2.340
  153    HA   ALA  76           HA       ALA  76  -0.917   2.702   3.461
  154    HB1  ALA  76           HB1      ALA  76   0.487   5.367   3.772
  155    HB2  ALA  76           HB2      ALA  76   0.739   3.940   4.777
  156    HB3  ALA  76           HB3      ALA  76  -0.821   4.765   4.791
  157    H    ASN  77           HN       ASN  77  -0.067   5.255   1.141
  158    HA   ASN  77           HA       ASN  77  -2.664   6.330   0.868
  159    HB2  ASN  77           HB2      ASN  77  -0.666   7.389  -0.126
  160    HB3  ASN  77           HB1      ASN  77  -0.512   6.046  -1.251
  161   HD21  ASN  77          HD21      ASN  77  -3.540   7.577  -0.268
  162   HD22  ASN  77          HD22      ASN  77  -3.920   8.223  -1.841
  163    H    HIS  78           HN       HIS  78  -1.033   3.638  -0.678
  164    HA   HIS  78           HA       HIS  78  -2.929   2.802  -2.512
  165    HB2  HIS  78           HB2      HIS  78  -0.675   1.909  -2.413
  166    HB3  HIS  78           HB1      HIS  78  -0.978   1.234  -0.814
  167    HD1  HIS  78           HD1      HIS  78  -1.319   0.482  -4.422
  168    HD2  HIS  78           HD2      HIS  78  -2.628  -1.052  -0.794
  169    HE1  HIS  78           HE1      HIS  78  -2.089  -1.871  -4.894
  170    H    ILE  79           HN       ILE  79  -2.512   1.735   0.859
  171    HA   ILE  79           HA       ILE  79  -4.840   0.080   0.772
  172    HB   ILE  79           HB       ILE  79  -3.010   0.907   3.010
  173   HG12  ILE  79          HG12      ILE  79  -3.397  -1.620   1.400
  174   HG13  ILE  79          HG11      ILE  79  -2.039  -0.497   1.277
  175   HG21  ILE  79          HG21      ILE  79  -4.076  -0.864   4.338
  176   HG22  ILE  79          HG22      ILE  79  -5.279  -1.075   3.067
  177   HG23  ILE  79          HG23      ILE  79  -5.197   0.442   3.960
  178   HD11  ILE  79          HD11      ILE  79  -1.350  -1.068   3.508
  179   HD12  ILE  79          HD12      ILE  79  -1.478  -2.519   2.495
  180   HD13  ILE  79          HD13      ILE  79  -2.739  -2.144   3.680
  181    H    ARG  80           HN       ARG  80  -4.191   3.379   1.904
  182    HA   ARG  80           HA       ARG  80  -6.719   3.746   3.078
  183    HB2  ARG  80           HB2      ARG  80  -4.672   5.591   1.910
  184    HB3  ARG  80           HB1      ARG  80  -6.177   6.170   2.582
  185    HG2  ARG  80           HG2      ARG  80  -5.660   5.129   4.713
  186    HG3  ARG  80           HG1      ARG  80  -4.156   4.510   4.037
  187    HD2  ARG  80           HD2      ARG  80  -3.492   6.877   3.594
  188    HD3  ARG  80           HD1      ARG  80  -4.912   7.376   4.514
  189    HE   ARG  80           HE       ARG  80  -3.507   5.568   6.091
  190   HH11  ARG  80          HH11      ARG  80  -3.075   8.790   4.778
  191   HH12  ARG  80          HH12      ARG  80  -1.951   9.277   6.012
  192   HH21  ARG  80          HH21      ARG  80  -2.042   6.206   7.713
  193   HH22  ARG  80          HH22      ARG  80  -1.343   7.797   7.674
  194    H    HIS  81           HN       HIS  81  -5.664   3.551  -0.201
  195    HA   HIS  81           HA       HIS  81  -8.065   4.676  -1.325
  196    HB2  HIS  81           HB2      HIS  81  -5.889   4.637  -2.548
  197    HB3  HIS  81           HB1      HIS  81  -6.003   2.884  -2.644
  198    HD1  HIS  81           HD1      HIS  81  -7.880   5.970  -3.805
  199    HD2  HIS  81           HD2      HIS  81  -7.362   1.971  -4.832
  200    HE1  HIS  81           HE1      HIS  81  -9.047   5.680  -6.011
  201    HE2  HIS  81           HE2      HIS  81  -8.898   3.216  -6.506
  202    H    HIS  82           HN       HIS  82  -7.336   1.865   0.285
  203    HA   HIS  82           HA       HIS  82  -9.368   0.227  -0.989
  204    HB2  HIS  82           HB2      HIS  82  -7.370  -0.185   1.208
  205    HB3  HIS  82           HB1      HIS  82  -8.801  -1.204   1.182
  206    HD1  HIS  82           HD1      HIS  82  -8.691  -3.231  -0.299
  207    HD2  HIS  82           HD2      HIS  82  -5.781  -0.400  -1.210
  208    HE1  HIS  82           HE1      HIS  82  -7.087  -4.342  -1.930
  209    H    ASP  83           HN       ASP  83  -9.514   2.848   0.862
  210    HA   ASP  83           HA       ASP  83 -11.663   1.912   2.623
  211    HB2  ASP  83           HB2      ASP  83  -9.924   3.245   3.705
  212    HB3  ASP  83           HB1      ASP  83 -10.173   4.551   2.542