*HEADER    CELL ADHESION                           26-OCT-00   1G47              
*TITLE     1ST LIM DOMAIN OF PINCH PROTEIN                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PINCH PROTEIN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: LIM1 DOMAIN, RESIDUES 1-70;                                
*COMPND   5 SYNONYM: PARTICULARLY INTERESTING NEW CYS-HIS PROTEIN;               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: LIMS1;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PMAL-C2X                                  
*KEYWDS    LIM DOMAIN; ZN FINGER                                                 
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    A.VELYVIS, Y.YANG, C.WU, J.QIN                                        
*REVDAT   1   21-FEB-01 1G47    0                                                

! NOE restraints

!M1

!A2

!N3

!A4

!L5

!A6
assign (resid 6 and name HB#) (resid 7 and name HA) 4.0 2.2 1.4 !#A 557  -4.32e+04

!S7
assign (resid 7 and name HA) (resid 7 and name HB1) 3.0 1.2 1.0 !#A 463  6.82e+04
assign (resid 7 and name HB2) (resid 8 and name HA) 4.0 2.2 1.7 !#A 11  -5.10e+04

!A8
assign (resid 8 and name HA) (resid 9 and name HG2#) 4.0 2.2 1.4 !#A 21  5.51e+04

!T9
assign (resid 9 and name HB) (resid 9 and name HA) 2.5 0.7 0.2 !#A 14  1.70e+05
assign (resid 9 and name HA) (resid 14 and name HA) 4.0 2.2 1.0 !#A 540  4.32e+04
assign (resid 9 and name HG2#) (resid 14 and name HA) 4.0 2.2 1.4 !#A 19  7.65e+04
assign (resid 9 and name HB) (resid 14 and name HA) 3.0 1.2 0.3 !#A 16  9.92e+04
assign (resid 9 and name HB) (resid 16 and name HA1) 4.0 2.2 1.7 !#A 482  -4.58e+04
assign (resid 9 and name HA) (resid 16 and name HA1) 4.0 2.2 1.7 !#A 549  -5.81e+04
assign (resid 9 and name HG2#) (resid 16 and name HA2) 2.5 0.7 1.3 !#A 18  1.14e+05
assign (resid 9 and name HA) (resid 17 and name HE2) 4.0 2.2 1.0 !#A 544  3.93e+04

!C10
assign (resid 10 and name HA) (resid 10 and name HB1) 2.5 0.7 0.2 !#A 27  -1.29e+05
assign (resid 10 and name HA) (resid 11 and name HB2) 4.0 2.2 1.7 !#A 470  4.09e+04
assign (resid 10 and name HB1) (resid 14 and name HA) 4.0 2.2 1.0 !#A 556  -5.47e+04
assign (resid 10 and name HB2) (resid 14 and name HA) 4.0 2.2 1.0 !#A 48  6.33e+04
assign (resid 10 and name HN) (resid 14 and name HA) 2.5 0.7 0.2 !#A 548  3.38e+05
assign (resid 10 and name HB2) (resid 15 and name HA1) 4.0 2.2 1.7 !#A 555  -4.77e+04
assign (resid 10 and name HA) (resid 17 and name HE1) 4.0 2.2 1.0 !#A 472  4.38e+04
assign (resid 10 and name HA) (resid 17 and name HZ) 3.0 1.2 0.3 !#A 474  7.30e+04
assign (resid 10 and name HA) (resid 30 and name HN) 4.0 2.2 1.0 !#A 471  4.65e+04
assign (resid 10 and name HA) (resid 30 and name HG) 4.0 2.2 1.0 !#A 545  4.73e+04
assign (resid 10 and name HA) (resid 31 and name HA) 4.0 2.2 1.0 !#A 144  6.64e+04
assign (resid 10 and name HB2) (resid 32 and name HA) 4.0 2.2 1.0 !#A 554  -5.34e+04

!E11
assign (resid 11 and name HG1) (resid 11 and name HA) 4.0 2.2 1.7 !#A 546  5.92e+04
assign (resid 11 and name HA) (resid 11 and name HG2) 4.0 2.2 1.7 !#A 35  -4.69e+04
assign (resid 11 and name HB2) (resid 11 and name HA) 2.5 0.7 0.9 !#A 30  1.31e+05
assign (resid 11 and name HB1) (resid 11 and name HA) 3.0 1.2 1.0 !#A 29  1.01e+05
assign (resid 11 and name HN) (resid 31 and name HA) 4.0 2.2 1.0 !#A 418  5.13e+04

!R12
assign (resid 12 and name HB2) (resid 12 and name HA) 3.0 1.2 1.0 !#A 477  1.06e+05
assign (resid 12 and name HB1) (resid 12 and name HA) 3.0 1.2 1.0 !#A 547  1.06e+05
assign (resid 12 and name HD#) (resid 12 and name HA) 4.0 2.2 1.7 !#A 36  8.32e+04
assign (resid 12 and name HG#) (resid 12 and name HA) 4.0 2.2 1.7 !#A 37  1.28e+05
assign (resid 12 and name HA) (resid 13 and name HN) 4.0 2.2 1.0 !#A 453  7.55e+04
assign (resid 12 and name HD#) (resid 35 and name HA) 4.0 2.2 1.7 !#A 171  7.04e+04
assign (resid 12 and name HA) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 511  4.41e+04

!C13
assign (resid 13 and name HB2) (resid 13 and name HA) 2.5 0.7 0.2 !#A 44  1.96e+05
assign (resid 13 and name HB1) (resid 13 and name HA) 3.0 1.2 0.3 !#A 43  2.30e+05

!K14
assign (resid 14 and name HG1) (resid 14 and name HA) 4.0 2.2 1.7 !#A 51  4.49e+04
assign (resid 14 and name HD1) (resid 14 and name HA) 4.0 2.2 1.0 !#A 54  8.89e+04
assign (resid 14 and name HA) (resid 14 and name HG2) 4.0 2.2 1.7 !#A 57  4.62e+04
assign (resid 14 and name HD2) (resid 14 and name HA) 3.0 1.2 0.3 !#A 53  8.89e+04
assign (resid 14 and name HA) (resid 14 and name HB2) 3.0 1.2 0.3 !#A 56  8.37e+04
assign (resid 14 and name HB1) (resid 14 and name HA) 2.5 0.7 0.2 !#A 50  1.38e+05

!G15
assign (resid 15 and name HA2) (resid 16 and name HA2) 3.0 1.2 1.7 !#A 65  -6.28e+04
assign (resid 15 and name HA2) (resid 16 and name HA1) 4.0 2.2 2.4 !#A 66  -5.81e+04
assign (resid 15 and name HA1) (resid 17 and name HD1) 4.0 2.2 1.7 !#A 478  -6.25e+04

!G16
assign (resid 16 and name HA1) (resid 17 and name HN) 3.0 1.2 1.0 !#A 445  -9.56e+04

!F17
assign (resid 17 and name HB2) (resid 17 and name HA) 4.0 2.2 1.0 !#A 69  5.49e+04
assign (resid 17 and name HD2) (resid 17 and name HA) 4.0 2.2 1.0 !#A 551  1.40e+05
assign (resid 17 and name HA) (resid 18 and name HB#) 4.0 2.2 1.4 !#A 76  5.26e+04
assign (resid 17 and name HD1) (resid 22 and name HA) 4.0 2.2 1.0 !#A 489  4.65e+04
assign (resid 17 and name HD1) (resid 31 and name HA) 4.0 2.2 1.0 !#A 500  6.02e+04
assign (resid 17 and name HZ) (resid 31 and name HA) 4.0 2.2 1.0 !#A 484  4.78e+04
assign (resid 17 and name HE1) (resid 32 and name HA) 4.0 2.2 1.0 !#A 569  7.17e+04

!A18
assign (resid 18 and name HA) (resid 19 and name HD1) 3.0 1.2 1.0 !#A 90  -1.73e+05
assign (resid 18 and name HA) (resid 19 and name HD2) 3.0 1.2 1.0 !#A 89  -2.93e+05

!P19
assign (resid 19 and name HD1) (resid 23 and name HB) 4.0 2.2 1.7 !#A 492  -3.89e+04

!A20
assign (resid 20 and name HN) (resid 20 and name HA) 3.0 1.2 0.3 !#A 440  -1.66e+05
assign (resid 20 and name HA) (resid 23 and name HG2#) 4.0 2.2 1.4 !#A 487  -4.41e+04

!E21
assign (resid 21 and name HB1) (resid 21 and name HA) 4.0 2.2 1.7 !#A 81  6.02e+04
assign (resid 21 and name HA) (resid 21 and name HB2) 3.0 1.2 1.0 !#A 86  -1.48e+05
assign (resid 21 and name HG1) (resid 21 and name HA) 4.0 2.2 1.7 !#A 82  6.14e+04
assign (resid 21 and name HG2) (resid 21 and name HA) 4.0 2.2 1.7 !#A 85  7.02e+04
assign (resid 21 and name HA) (resid 22 and name HB#) 4.0 2.2 1.7 !#A 83  4.34e+04
assign (resid 21 and name HB1) (resid 22 and name HA) 4.0 2.2 1.7 !#A 558  5.17e+04
assign (resid 21 and name HN) (resid 22 and name HA) 4.0 2.2 1.0 !#A 490  3.92e+04
assign (resid 21 and name HA) (resid 22 and name HG2) 4.0 2.2 1.7 !#A 488  4.47e+04

!K22
assign (resid 22 and name HG2) (resid 22 and name HA) 3.0 1.2 1.0 !#A 91  6.82e+04
assign (resid 22 and name HD#) (resid 22 and name HA) 4.0 2.2 1.0 !#A 92  5.63e+04
assign (resid 22 and name HA) (resid 23 and name HA) 4.0 2.2 1.0 !#A 102  3.59e+04

!I23
assign (resid 23 and name HD1#) (resid 23 and name HA) 3.0 1.2 0.7 !#A 559  1.21e+05
assign (resid 23 and name HB) (resid 23 and name HA) 4.0 2.2 1.0 !#A 98  5.96e+04
assign (resid 23 and name HG2#) (resid 23 and name HA) 3.0 1.2 0.7 !#A 101  1.21e+05
assign (resid 23 and name HG11) (resid 23 and name HA) 4.0 2.2 1.7 !#A 99  5.55e+04
assign (resid 23 and name HG12) (resid 23 and name HA) 4.0 2.2 1.7 !#A 100  5.41e+04
assign (resid 23 and name HG2#) (resid 30 and name HA) 4.0 2.2 1.4 !#A 133  4.09e+04
assign (resid 23 and name HD1#) (resid 30 and name HA) 4.0 2.2 1.4 !#A 562  -5.01e+04
assign (resid 23 and name HA) (resid 32 and name HA) 4.0 2.2 1.0 !#A 568  4.49e+04

!V24
assign (resid 24 and name HG1#) (resid 24 and name HA) 2.5 0.7 0.6 !#A 107  1.72e+05
assign (resid 24 and name HA) (resid 24 and name HG2#) 2.5 0.7 0.6 !#A 112  2.25e+05
assign (resid 24 and name HB) (resid 30 and name HA) 4.0 2.2 1.0 !#A 563  -5.08e+04
assign (resid 24 and name HG2#) (resid 33 and name HA) 4.0 2.2 1.4 !#A 155  2.29e+05

!N25
assign (resid 25 and name HB1) (resid 25 and name HA) 4.0 2.2 1.0 !#A 116  -5.05e+04
assign (resid 25 and name HN) (resid 25 and name HA) 4.0 2.2 1.0 !#A 430  -4.61e+04
assign (resid 25 and name HB2) (resid 25 and name HA) 3.0 1.2 0.3 !#A 115  -8.15e+04
assign (resid 25 and name HB2) (resid 30 and name HA) 3.0 1.2 0.3 !#A 560  -9.74e+04
assign (resid 25 and name HA) (resid 30 and name HD1#) 2.5 0.7 1.7 !#A 565  3.77e+05

!S26
assign (resid 26 and name HA) (resid 26 and name HB2) 4.0 2.2 1.0 !#A 120  3.62e+04
assign (resid 26 and name HA) (resid 26 and name HB1) 3.0 1.2 0.3 !#A 119  7.11e+04

!N27
assign (resid 27 and name HB2) (resid 27 and name HA) 3.0 1.2 1.0 !#A 121  -1.34e+05
assign (resid 27 and name HB1) (resid 27 and name HA) 3.0 1.2 1.0 !#A 122  -1.39e+05
assign (resid 27 and name HA) (resid 28 and name HA1) 4.0 2.2 1.7 !#A 497  -4.84e+04
assign (resid 27 and name HA) (resid 53 and name HA) 4.0 2.2 1.0 !#A 496  -1.03e+05

!G28

!E29
assign (resid 29 and name HB2) (resid 29 and name HA) 4.0 2.2 1.0 !#A 128  5.25e+04
assign (resid 29 and name HB1) (resid 29 and name HA) 3.0 1.2 0.3 !#A 125  1.07e+05
assign (resid 29 and name HG1) (resid 29 and name HA) 3.0 1.2 1.0 !#A 127  6.59e+04
assign (resid 29 and name HG2) (resid 29 and name HA) 3.0 1.2 1.0 !#A 126  6.52e+04

!L30
assign (resid 30 and name HB2) (resid 30 and name HA) 4.0 2.2 1.0 !#A 137  -5.08e+04
assign (resid 30 and name HG) (resid 30 and name HA) 4.0 2.2 1.0 !#A 498  -3.64e+04
assign (resid 30 and name HA) (resid 30 and name HD1#) 2.5 0.7 1.7 !#A 140  3.77e+05
assign (resid 30 and name HB1) (resid 30 and name HA) 3.0 1.2 0.3 !#A 136  -8.87e+04

!Y31
assign (resid 31 and name HN) (resid 31 and name HA) 4.0 2.2 1.0 !#A 419  5.59e+04
assign (resid 31 and name HB2) (resid 31 and name HA) 4.0 2.2 1.0 !#A 143  5.35e+04
assign (resid 31 and name HD1) (resid 31 and name HA) 4.0 2.2 1.0 !#A 567  6.02e+04
assign (resid 31 and name HB1) (resid 31 and name HA) 2.5 0.7 0.2 !#A 142  1.14e+05
assign (resid 31 and name HA) (resid 35 and name HB2) 3.0 1.2 0.3 !#A 566  1.14e+05
assign (resid 31 and name HB1) (resid 36 and name HA) 4.0 2.2 1.0 !#A 570  6.20e+04
assign (resid 31 and name HE2) (resid 57 and name HA) 4.0 2.2 1.0 !#A 502  8.68e+04

!H32
assign (resid 32 and name HN) (resid 32 and name HA) 3.0 1.2 0.3 !#A 417  7.74e+04
assign (resid 32 and name HB#) (resid 33 and name HA) 4.0 2.2 1.7 !#A 151  5.32e+04
assign (resid 32 and name HN) (resid 33 and name HA) 4.0 2.2 1.0 !#A 415  4.98e+04

!E33
assign (resid 33 and name HA) (resid 33 and name HG1) 4.0 2.2 1.7 !#A 158  -7.21e+04
assign (resid 33 and name HG2) (resid 33 and name HA) 4.0 2.2 1.7 !#A 150  7.63e+04

!Q34
assign (resid 34 and name HG#) (resid 34 and name HA) 3.0 1.2 1.0 !#A 160  8.94e+04
assign (resid 34 and name HB2) (resid 34 and name HA) 2.5 0.7 0.9 !#A 161  1.87e+05
assign (resid 34 and name HB1) (resid 34 and name HA) 3.0 1.2 1.0 !#A 162  2.04e+05
assign (resid 34 and name HA) (resid 35 and name HB2) 4.0 2.2 1.0 !#A 505  -5.66e+04

!C35
assign (resid 35 and name HB2) (resid 35 and name HA) 4.0 2.2 1.0 !#A 168  5.40e+04
assign (resid 35 and name HB1) (resid 35 and name HA) 3.0 1.2 0.3 !#A 169  7.73e+04
assign (resid 35 and name HN) (resid 35 and name HA) 3.0 1.2 0.3 !#A 410  7.10e+04
assign (resid 35 and name HA) (resid 37 and name HG1#) 4.0 2.2 2.5 !#A 167  4.66e+04
assign (resid 35 and name HA) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 575  4.84e+04

!F36
assign (resid 36 and name HB2) (resid 36 and name HA) 4.0 2.2 1.0 !#A 175  6.20e+04
assign (resid 36 and name HB1) (resid 36 and name HA) 3.0 1.2 0.3 !#A 174  9.83e+04
assign (resid 36 and name HD1) (resid 36 and name HA) 3.0 1.2 0.3 !#A 507  1.00e+05
assign (resid 36 and name HA) (resid 37 and name HA) 4.0 2.2 1.0 !#A 538  3.23e+04
assign (resid 36 and name HA) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 574  4.84e+04
assign (resid 36 and name HA) (resid 52 and name HB2) 4.0 2.2 1.7 !#A 519  -4.08e+04

!V37
assign (resid 37 and name HB) (resid 37 and name HA) 3.0 1.2 0.3 !#A 179  1.58e+05
assign (resid 37 and name HA) (resid 38 and name HB1) 4.0 2.2 1.0 !#A 571  4.17e+04
assign (resid 37 and name HA) (resid 42 and name HB1) 4.0 2.2 1.7 !#A 516  -3.73e+04
assign (resid 37 and name HB) (resid 42 and name HA) 4.0 2.2 1.0 !#A 213  9.53e+04
assign (resid 37 and name HG1#) (resid 42 and name HA) 2.5 0.7 1.7 !#A 212  1.59e+05
assign (resid 37 and name HG2#) (resid 42 and name HA) 4.0 2.2 2.5 !#A 510  9.03e+04
assign (resid 37 and name HG1#) (resid 44 and name HA) 2.5 0.7 1.7 !#A 580  1.15e+05
assign (resid 37 and name HA) (resid 44 and name HA) 3.0 1.2 0.3 !#A 183  9.91e+04
assign (resid 37 and name HG2#) (resid 44 and name HA) 2.5 0.7 1.7 !#A 192  1.61e+05
assign (resid 37 and name HA) (resid 45 and name HB2) 4.0 2.2 1.0 !#A 572  3.76e+04
assign (resid 37 and name HA) (resid 57 and name HE2) 4.0 2.2 1.7 !#A 573  4.06e+04

!C38
assign (resid 38 and name HA) (resid 38 and name HB2) 3.0 1.2 0.3 !#A 196  -7.77e+04
assign (resid 38 and name HA) (resid 39 and name HB#) 4.0 2.2 1.4 !#A 515  5.21e+04
assign (resid 38 and name HA) (resid 57 and name HE2) 3.0 1.2 1.0 !#A 576  6.62e+04
assign (resid 38 and name HA) (resid 58 and name HD2) 4.0 2.2 1.0 !#A 577  7.92e+04
assign (resid 38 and name HA) (resid 58 and name HA) 4.0 2.2 1.0 !#A 314  5.26e+04
assign (resid 38 and name HA) (resid 59 and name HN) 4.0 2.2 1.0 !#A 405  4.96e+04

!A39
assign (resid 39 and name HA) (resid 40 and name HA) 4.0 2.2 1.0 !#A 513  -5.37e+04
assign (resid 39 and name HA) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 522  3.80e+04
assign (resid 39 and name HA) (resid 57 and name HN) 4.0 2.2 1.0 !#A 402  -5.05e+04
assign (resid 39 and name HA) (resid 57 and name HD2) 4.0 2.2 1.0 !#A 578  -5.82e+04
assign (resid 39 and name HB#) (resid 58 and name HA) 4.0 2.2 1.4 !#A 311  4.05e+04

!Q40
assign (resid 40 and name HG1) (resid 40 and name HA) 4.0 2.2 1.7 !#A 207  1.60e+05
assign (resid 40 and name HG2) (resid 40 and name HA) 3.0 1.2 1.0 !#A 203  6.62e+04

!C41
assign (resid 41 and name HA) (resid 41 and name HB2) 3.0 1.2 1.0 !#A 211  -8.90e+04
assign (resid 41 and name HA) (resid 41 and name HB1) 2.5 0.7 0.9 !#A 210  -1.15e+05

!F42
assign (resid 42 and name HB2) (resid 42 and name HA) 4.0 2.2 1.7 !#A 215  5.64e+04
assign (resid 42 and name HB1) (resid 42 and name HA) 3.0 1.2 1.0 !#A 214  1.05e+05

!Q43
assign (resid 43 and name HA) (resid 43 and name HG2) 3.0 1.2 1.0 !#A 221  -6.40e+04
assign (resid 43 and name HN) (resid 43 and name HA) 3.0 1.2 0.3 !#A 398  -6.61e+04
assign (resid 43 and name HG1) (resid 43 and name HA) 3.0 1.2 1.0 !#A 218  -1.12e+05

!Q44
assign (resid 44 and name HG#) (resid 44 and name HA) 2.5 0.7 0.9 !#A 225  1.36e+05
assign (resid 44 and name HB1) (resid 44 and name HA) 3.0 1.2 0.3 !#A 517  1.03e+05
assign (resid 44 and name HB2) (resid 44 and name HA) 3.0 1.2 0.3 !#A 223  7.78e+04
assign (resid 44 and name HA) (resid 45 and name HB2) 4.0 2.2 1.0 !#A 579  1.36e+05

!F45
assign (resid 45 and name HD1) (resid 45 and name HB1) 4.0 2.2 1.0 !#A 236  -4.94e+04
assign (resid 45 and name HB2) (resid 45 and name HA) 4.0 2.2 1.0 !#A 238  4.79e+04
assign (resid 45 and name HA) (resid 45 and name HB1) 3.0 1.2 0.3 !#A 233  -6.67e+04
assign (resid 45 and name HD2) (resid 45 and name HA) 3.0 1.2 0.3 !#A 232  9.57e+04
assign (resid 45 and name HA) (resid 46 and name HD2) 2.5 0.7 0.9 !#A 239  -1.79e+05
assign (resid 45 and name HA) (resid 46 and name HD1) 2.5 0.7 0.9 !#A 240  -1.44e+05
assign (resid 45 and name HD1) (resid 59 and name HA) 4.0 2.2 1.0 !#A 529  1.01e+05

!P46

!E47
assign (resid 47 and name HG1) (resid 47 and name HA) 3.0 1.2 1.0 !#A 583  1.51e+05
assign (resid 47 and name HB2) (resid 47 and name HA) 2.5 0.7 0.9 !#A 242  1.88e+05
assign (resid 47 and name HB1) (resid 47 and name HA) 3.0 1.2 1.0 !#A 585  1.51e+05

!G48
assign (resid 48 and name HA2) (resid 49 and name HA) 4.0 2.2 1.7 !#A 251  5.48e+04
assign (resid 48 and name HA1) (resid 49 and name HA) 4.0 2.2 1.7 !#A 252  -6.88e+04

!L49
assign (resid 49 and name HG) (resid 49 and name HA) 4.0 2.2 1.0 !#A 586  4.48e+04
assign (resid 49 and name HA) (resid 49 and name HD1#) 3.0 1.2 1.8 !#A 263  9.20e+04
assign (resid 49 and name HA) (resid 49 and name HD2#) 3.0 1.2 1.8 !#A 262  8.58e+04
assign (resid 49 and name HA) (resid 52 and name HN) 4.0 2.2 1.0 !#A 587  4.02e+04

!F50
assign (resid 50 and name HA) (resid 50 and name HB1) 3.0 1.2 1.0 !#A 264  -8.26e+04
assign (resid 50 and name HA) (resid 50 and name HB2) 3.0 1.2 1.0 !#A 266  -7.41e+04
assign (resid 50 and name HE1) (resid 52 and name HA) 4.0 2.2 1.0 !#A 518  4.29e+04
assign (resid 50 and name HA) (resid 59 and name HA) 4.0 2.2 1.0 !#A 527  5.06e+04

!Y51
assign (resid 51 and name HN) (resid 51 and name HA) 4.0 2.2 1.0 !#A 270  4.15e+04
assign (resid 51 and name HB1) (resid 51 and name HA) 2.5 0.7 0.2 !#A 268  1.32e+05
assign (resid 51 and name HB2) (resid 51 and name HA) 3.0 1.2 0.3 !#A 588  1.10e+05
assign (resid 51 and name HD2) (resid 51 and name HA) 4.0 2.2 1.0 !#A 589  4.08e+04
assign (resid 51 and name HD2) (resid 60 and name HA) 3.0 1.2 0.3 !#A 602  8.05e+04

!E52
assign (resid 52 and name HG1) (resid 52 and name HA) 4.0 2.2 1.7 !#A 591  9.66e+04
assign (resid 52 and name HB2) (resid 52 and name HA) 3.0 1.2 1.0 !#A 275  9.66e+04
assign (resid 52 and name HG2) (resid 52 and name HA) 4.0 2.2 1.7 !#A 273  4.94e+04
assign (resid 52 and name HA) (resid 57 and name HA) 3.0 1.2 0.3 !#A 276  9.46e+04
assign (resid 52 and name HA) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 521  -3.96e+04
assign (resid 52 and name HA) (resid 58 and name HB2) 4.0 2.2 1.0 !#A 590  3.97e+04

!F53
assign (resid 53 and name HA) (resid 53 and name HB2) 4.0 2.2 1.7 !#A 282  -5.06e+04
assign (resid 53 and name HA) (resid 53 and name HB1) 3.0 1.2 1.0 !#A 283  -6.98e+04
assign (resid 53 and name HA) (resid 54 and name HA) 4.0 2.2 1.0 !#A 289  5.78e+04

!E54
assign (resid 54 and name HG1) (resid 54 and name HA) 3.0 1.2 1.0 !#A 288  1.29e+05
assign (resid 54 and name HG2) (resid 54 and name HA) 3.0 1.2 1.0 !#A 592  2.02e+05
assign (resid 54 and name HB2) (resid 54 and name HA) 2.5 0.7 0.9 !#A 287  1.13e+05
assign (resid 54 and name HB1) (resid 54 and name HA) 2.5 0.7 0.9 !#A 286  2.02e+05

!G55
assign (resid 55 and name HA2) (resid 56 and name HG1) 4.0 2.2 2.4 !#A 595  4.05e+04

!R56
assign (resid 56 and name HA) (resid 56 and name HB2) 4.0 2.2 1.7 !#A 301  -3.86e+04
assign (resid 56 and name HA) (resid 56 and name HB1) 4.0 2.2 1.7 !#A 302  -5.26e+04
assign (resid 56 and name HA) (resid 56 and name HG1) 4.0 2.2 1.7 !#A 303  4.03e+04

!K57
assign (resid 57 and name HA) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 304  -4.54e+04
assign (resid 57 and name HA) (resid 57 and name HE1) 4.0 2.2 1.7 !#A 524  -4.11e+04
assign (resid 57 and name HA) (resid 57 and name HE2) 4.0 2.2 1.7 !#A 525  -6.84e+04
assign (resid 57 and name HA) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 307  5.26e+04
assign (resid 57 and name HA) (resid 57 and name HG2) 3.0 1.2 1.0 !#A 305  6.82e+04
assign (resid 57 and name HA) (resid 58 and name HE1) 4.0 2.2 1.0 !#A 598  6.82e+04
assign (resid 57 and name HA) (resid 58 and name HB2) 4.0 2.2 1.0 !#A 526  -7.71e+04

!Y58
assign (resid 58 and name HB1) (resid 58 and name HA) 3.0 1.2 0.3 !#A 312  7.09e+04
assign (resid 58 and name HN) (resid 58 and name HA) 4.0 2.2 1.0 !#A 309  6.01e+04
assign (resid 58 and name HB2) (resid 58 and name HA) 3.0 1.2 0.3 !#A 313  8.57e+04
assign (resid 58 and name HD2) (resid 58 and name HA) 4.0 2.2 1.0 !#A 597  3.60e+04

!C59
assign (resid 59 and name HN) (resid 59 and name HA) 4.0 2.2 1.0 !#A 319  5.97e+04
assign (resid 59 and name HB1) (resid 59 and name HA) 2.5 0.7 0.2 !#A 316  1.24e+05
assign (resid 59 and name HB2) (resid 59 and name HA) 2.5 0.7 0.2 !#A 317  1.18e+05
assign (resid 59 and name HA) (resid 60 and name HN) 2.5 0.7 0.2 !#A 318  1.95e+05
assign (resid 59 and name HA) (resid 60 and name HA) 4.0 2.2 1.0 !#A 599  4.69e+04

!E60
assign (resid 60 and name HN) (resid 60 and name HA) 3.0 1.2 0.3 !#A 325  8.50e+04
assign (resid 60 and name HB2) (resid 60 and name HA) 2.5 0.7 0.9 !#A 323  1.15e+05
assign (resid 60 and name HG2) (resid 60 and name HA) 3.0 1.2 1.0 !#A 600  1.15e+05
assign (resid 60 and name HG1) (resid 60 and name HA) 2.5 0.7 0.9 !#A 322  1.14e+05
assign (resid 60 and name HB1) (resid 61 and name HA) 4.0 2.2 1.7 !#A 603  7.42e+04
assign (resid 60 and name HA) (resid 63 and name HB1) 3.0 1.2 0.3 !#A 324  7.84e+04

!H61
assign (resid 61 and name HB1) (resid 61 and name HA) 3.0 1.2 1.0 !#A 327  8.25e+04
assign (resid 61 and name HB2) (resid 61 and name HA) 2.5 0.7 0.9 !#A 328  1.44e+05
assign (resid 61 and name HA) (resid 64 and name HN) 3.0 1.2 0.3 !#A 605  1.57e+05
assign (resid 61 and name HA) (resid 64 and name HB1) 4.0 2.2 1.7 !#A 329  5.81e+04
assign (resid 61 and name HA) (resid 64 and name HB2) 4.0 2.2 1.7 !#A 330  7.42e+04
assign (resid 61 and name HA) (resid 65 and name HN) 4.0 2.2 1.0 !#A 604  4.95e+04

!D62
assign (resid 62 and name HB2) (resid 62 and name HA) 3.0 1.2 0.3 !#A 335  6.52e+04
assign (resid 62 and name HB1) (resid 62 and name HA) 2.5 0.7 0.2 !#A 334  1.26e+05
assign (resid 62 and name HA) (resid 65 and name HB#) 2.5 0.7 0.9 !#A 339  1.41e+05
assign (resid 62 and name HA) (resid 65 and name HN) 4.0 2.2 1.0 !#A 337  8.69e+04
assign (resid 62 and name HA) (resid 66 and name HN) 4.0 2.2 1.0 !#A 607  7.71e+04

!F63
assign (resid 63 and name HB1) (resid 63 and name HA) 4.0 2.2 1.0 !#A 343  5.27e+04
assign (resid 63 and name HD2) (resid 63 and name HA) 3.0 1.2 0.3 !#A 608  8.67e+04
assign (resid 63 and name HB2) (resid 63 and name HA) 3.0 1.2 0.3 !#A 344  8.81e+04
assign (resid 63 and name HA) (resid 65 and name HB#) 4.0 2.2 1.7 !#A 531  -4.78e+04
assign (resid 63 and name HA) (resid 66 and name HG) 4.0 2.2 1.0 !#A 342  5.71e+04
assign (resid 63 and name HA) (resid 66 and name HN) 4.0 2.2 1.0 !#A 530  4.08e+04

!Q64
assign (resid 64 and name HB2) (resid 64 and name HA) 3.0 1.2 1.0 !#A 349  8.63e+04
assign (resid 64 and name HG2) (resid 64 and name HA) 4.0 2.2 1.7 !#A 352  4.43e+04
assign (resid 64 and name HA) (resid 64 and name HG1) 4.0 2.2 1.7 !#A 357  -5.01e+04
assign (resid 64 and name HB1) (resid 64 and name HA) 3.0 1.2 1.0 !#A 350  9.70e+04
assign (resid 64 and name HA) (resid 66 and name HG) 4.0 2.2 1.0 !#A 351  8.21e+04
assign (resid 64 and name HA) (resid 68 and name HB#) 4.0 2.2 1.4 !#A 612  4.41e+04

!M65

!L66
assign (resid 66 and name HD1#) (resid 66 and name HA) 4.0 2.2 2.5 !#A 364  4.47e+04
assign (resid 66 and name HB2) (resid 66 and name HA) 4.0 2.2 1.0 !#A 366  5.89e+04
assign (resid 66 and name HB1) (resid 66 and name HA) 2.5 0.7 0.2 !#A 363  1.25e+05
assign (resid 66 and name HD2#) (resid 66 and name HA) 2.5 0.7 1.7 !#A 365  2.64e+05
assign (resid 66 and name HG) (resid 66 and name HA) 4.0 2.2 1.0 !#A 367  6.65e+04

!F67
assign (resid 67 and name HN) (resid 67 and name HA) 4.0 2.2 1.0 !#A 374  6.04e+04
assign (resid 67 and name HD2) (resid 67 and name HA) 3.0 1.2 0.3 !#A 611  7.13e+04
assign (resid 67 and name HA) (resid 67 and name HB2) 4.0 2.2 1.0 !#A 378  -4.58e+04
assign (resid 67 and name HB1) (resid 67 and name HA) 3.0 1.2 0.3 !#A 373  1.20e+05

!A68
assign (resid 68 and name HB#) (resid 69 and name HD2) 4.0 2.2 2.1 !#A 534  3.83e+04
assign (resid 68 and name HA) (resid 69 and name HD1) 2.5 0.7 0.9 !#A 381  -1.27e+05
assign (resid 68 and name HA) (resid 69 and name HD2) 2.5 0.7 0.9 !#A 382  -1.27e+05
assign (resid 68 and name HA) (resid 69 and name HB2) 4.0 2.2 1.7 !#A 380  -4.53e+04
assign (resid 68 and name HB#) (resid 70 and name HA) 4.0 2.2 1.4 !#A 537  2.22e+04

!P69

!C70

! EDITING HIST.: mannually edited: added back the ones that were removed
! in run11; removed the ones that were violated >0.45 A iN RUN 10. Mar29.
! EDITING HIST.: mannually edited some noes from run10, that may
! be spoiling sheet1 on Mar29
! EDITING HIST.: mannually edited some violated noes from run9 on Mar27
! Editing history: relaxed S and M NOEs on Fri Mar 24 14:28:40 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 16:49:11 EST 2000
! Editing history: added pseudoatom corrections for nonstereoassigned methylenes (0.7 A)
! on Wed Mar 22 15:52:19 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 14:27:24 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Tue Mar 21 16:07:52 EST 2000
! Editing history: added pseudoatom corrections for Me and i-Pr groups (0.4 & 1.5 A)
! on Thu Mar 16 14:58:42 EST 2000
!EDIT_HISTORY
! A(460)  nh.PCK.uniq   Thu Mar 16 11:43:56 2000


!M1

!A2

!N3

!A4

!L5

!A6
assign (resid 6 and name HA) (resid 6 and name HN) 4.0 2.2 1.0 !#A 1  5.26e+04

!S7
assign (resid 7 and name HB1) (resid 7 and name HN) 4.0 2.2 1.7 !#A 501  4.27e+04
assign (resid 7 and name HA) (resid 8 and name HN) 3.0 1.2 0.3 !#A 504  8.69e+04

!A8
assign (resid 8 and name HB#) (resid 8 and name HN) 3.0 1.2 0.7 !#A 2  7.45e+04
assign (resid 8 and name HA) (resid 8 and name HN) 3.0 1.2 0.3 !#A 503  8.69e+04
assign (resid 8 and name HB#) (resid 9 and name HN) 3.0 1.2 0.7 !#A 7  8.53e+04
assign (resid 8 and name HA) (resid 9 and name HN) 2.5 0.7 0.2 !#A 5  4.88e+05

!T9
assign (resid 9 and name HB) (resid 9 and name HN) 4.0 2.2 1.0 !#A 408  3.55e+04
assign (resid 9 and name HG2#) (resid 9 and name HN) 4.0 2.2 1.4 !#A 10  5.68e+04
assign (resid 9 and name HA) (resid 9 and name HN) 3.0 1.2 0.3 !#A 6  1.23e+05
assign (resid 9 and name HB) (resid 10 and name HN) 3.0 1.2 0.3 !#A 16  1.71e+05
assign (resid 9 and name HA) (resid 10 and name HN) 2.5 0.7 0.2 !#A 505  4.89e+05
assign (resid 9 and name HA) (resid 17 and name HN) 4.0 2.2 1.0 !#A 428  4.84e+04

!C10
assign (resid 10 and name HB2) (resid 10 and name HN) 3.0 1.2 0.3 !#A 15  2.31e+05
assign (resid 10 and name HB1) (resid 10 and name HN) 2.5 0.7 0.2 !#A 14  1.77e+05
assign (resid 10 and name HA) (resid 10 and name HN) 3.0 1.2 0.3 !#A 18  4.89e+05
assign (resid 10 and name HB1) (resid 11 and name HN) 4.0 2.2 1.0 !#A 21  3.75e+04
assign (resid 10 and name HA) (resid 11 and name HN) 2.5 0.7 0.2 !#A 24  4.82e+05
assign (resid 10 and name HB1) (resid 13 and name HN) 4.0 2.2 1.0 !#A 38  6.19e+04
assign (resid 10 and name HB2) (resid 14 and name HN) 4.0 2.2 1.0 !#A 50  4.32e+04
assign (resid 10 and name HB2) (resid 15 and name HN) 3.0 1.2 0.3 !#A 55  9.90e+04
assign (resid 10 and name HN) (resid 15 and name HN) 2.5 0.7 0.2 !#A 517  1.57e+05
assign (resid 10 and name HN) (resid 15 and name HA2) 3.0 1.2 1.0 !#A 509  4.89e+05
assign (resid 10 and name HN) (resid 16 and name HA2) 3.0 1.2 1.0 !#A 17  7.12e+04
assign (resid 10 and name HN) (resid 17 and name HN) 4.0 2.2 1.0 !#A 511  5.75e+04
assign (resid 10 and name HN) (resid 17 and name HD2) 4.0 2.2 1.0 !#A 409  3.63e+04
assign (resid 10 and name HB1) (resid 32 and name HN) 4.0 2.2 1.0 !#A 162  6.17e+04

!E11
assign (resid 11 and name HB2) (resid 11 and name HN) 3.0 1.2 1.0 !#A 20  1.49e+05
assign (resid 11 and name HB1) (resid 11 and name HN) 3.0 1.2 1.0 !#A 19  1.37e+05
assign (resid 11 and name HG1) (resid 11 and name HN) 4.0 2.2 1.7 !#A 431  3.72e+04
assign (resid 11 and name HA) (resid 11 and name HN) 3.0 1.2 0.3 !#A 23  1.15e+05
assign (resid 11 and name HA) (resid 12 and name HN) 4.0 2.2 1.0 !#A 31  4.54e+04
assign (resid 11 and name HB2) (resid 12 and name HN) 4.0 2.2 1.7 !#A 27  4.04e+04
assign (resid 11 and name HN) (resid 12 and name HN) 4.0 2.2 1.0 !#A 26  9.16e+04
assign (resid 11 and name HA) (resid 13 and name HN) 4.0 2.2 1.0 !#A 42  4.76e+04
assign (resid 11 and name HN) (resid 17 and name HZ) 4.0 2.2 1.0 !#A 411  3.16e+04
assign (resid 11 and name HN) (resid 29 and name HG2) 4.0 2.2 1.7 !#A 507  6.88e+04
assign (resid 11 and name HB2) (resid 30 and name HN) 3.0 1.2 1.0 !#A 544  9.23e+04
assign (resid 11 and name HB1) (resid 30 and name HN) 4.0 2.2 1.7 !#A 443  3.11e+04
assign (resid 11 and name HN) (resid 30 and name HN) 4.0 2.2 1.0 !#A 508  5.15e+04
assign (resid 11 and name HB1) (resid 32 and name HN) 4.0 2.2 1.7 !#A 450  5.55e+04

!R12
assign (resid 12 and name HG#) (resid 12 and name HN) 4.0 2.2 1.7 !#A 28  3.91e+04
assign (resid 12 and name HB1) (resid 12 and name HN) 4.0 2.2 1.7 !#A 29  2.02e+05
assign (resid 12 and name HA) (resid 12 and name HN) 3.0 1.2 0.3 !#A 32  1.21e+05
assign (resid 12 and name HB2) (resid 13 and name HN) 4.0 2.2 1.7 !#A 39  1.89e+05
assign (resid 12 and name HD#) (resid 13 and name HN) 4.0 2.2 1.7 !#A 412  3.50e+04
assign (resid 12 and name HN) (resid 13 and name HN) 3.0 1.2 0.3 !#A 46  1.93e+05
assign (resid 12 and name HN) (resid 31 and name HA) 4.0 2.2 1.0 !#A 512  3.31e+04

!C13
assign (resid 13 and name HB1) (resid 13 and name HN) 3.0 1.2 0.3 !#A 513  7.93e+04
assign (resid 13 and name HA) (resid 13 and name HN) 3.0 1.2 0.3 !#A 43  7.90e+04
assign (resid 13 and name HA) (resid 14 and name HN) 4.0 2.2 1.0 !#A 52  4.32e+04
assign (resid 13 and name HB2) (resid 14 and name HN) 4.0 2.2 1.0 !#A 414  3.68e+04
assign (resid 13 and name HN) (resid 14 and name HN) 2.5 0.7 0.2 !#A 45  2.28e+05
assign (resid 13 and name HB2) (resid 15 and name HN) 4.0 2.2 1.0 !#A 516  3.40e+04
assign (resid 13 and name HB1) (resid 15 and name HN) 4.0 2.2 1.0 !#A 416  3.85e+04
assign (resid 13 and name HN) (resid 15 and name HN) 4.0 2.2 1.0 !#A 58  6.95e+04

!K14
assign (resid 14 and name HD2) (resid 14 and name HN) 4.0 2.2 1.0 !#A 515  4.98e+04
assign (resid 14 and name HB1) (resid 14 and name HN) 4.0 2.2 1.0 !#A 49  5.03e+04
assign (resid 14 and name HG1) (resid 14 and name HN) 4.0 2.2 1.7 !#A 514  4.07e+04
assign (resid 14 and name HA) (resid 14 and name HN) 2.5 0.7 0.2 !#A 51  4.58e+05
assign (resid 14 and name HN) (resid 15 and name HN) 2.5 0.7 0.2 !#A 429  1.57e+05
assign (resid 14 and name HA) (resid 15 and name HN) 4.0 2.2 1.0 !#A 415  5.67e+04

!G15
assign (resid 15 and name HA2) (resid 15 and name HN) 3.0 1.2 1.0 !#A 57  1.43e+05
assign (resid 15 and name HA1) (resid 15 and name HN) 2.5 0.7 0.9 !#A 56  2.91e+05
assign (resid 15 and name HN) (resid 16 and name HN) 4.0 2.2 1.0 !#A 66  4.40e+04
assign (resid 15 and name HA1) (resid 16 and name HN) 2.5 0.7 0.9 !#A 63  1.90e+05
assign (resid 15 and name HA2) (resid 16 and name HN) 2.5 0.7 0.9 !#A 65  2.94e+05
assign (resid 15 and name HN) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 430  4.71e+04

!G16
assign (resid 16 and name HA2) (resid 16 and name HN) 3.0 1.2 1.0 !#A 64  1.22e+05
assign (resid 16 and name HA1) (resid 16 and name HN) 2.5 0.7 0.9 !#A 62  2.64e+05
assign (resid 16 and name HA2) (resid 17 and name HN) 3.0 1.2 1.0 !#A 30  7.90e+04

!F17
assign (resid 17 and name HB1) (resid 17 and name HN) 4.0 2.2 1.0 !#A 68  4.76e+04
assign (resid 17 and name HB2) (resid 17 and name HN) 4.0 2.2 1.0 !#A 510  5.57e+04
assign (resid 17 and name HD2) (resid 17 and name HN) 3.0 1.2 0.3 !#A 35  7.48e+04
assign (resid 17 and name HN) (resid 18 and name HA) 4.0 2.2 1.0 !#A 33  5.40e+04
assign (resid 17 and name HD2) (resid 18 and name HN) 4.0 2.2 1.0 !#A 519  3.87e+04
assign (resid 17 and name HB1) (resid 18 and name HN) 4.0 2.2 1.0 !#A 72  6.62e+04
assign (resid 17 and name HB2) (resid 18 and name HN) 3.0 1.2 0.3 !#A 71  6.39e+04
assign (resid 17 and name HA) (resid 18 and name HN) 2.5 0.7 0.2 !#A 74  3.12e+05
assign (resid 17 and name HE1) (resid 32 and name HN) 4.0 2.2 1.0 !#A 452  4.89e+04
assign (resid 17 and name HD1) (resid 32 and name HN) 4.0 2.2 1.0 !#A 550  4.10e+04

!A18
assign (resid 18 and name HA) (resid 18 and name HN) 3.0 1.2 0.3 !#A 73  6.36e+04
assign (resid 18 and name HB#) (resid 18 and name HN) 3.0 1.2 0.7 !#A 69  2.74e+05
assign (resid 18 and name HN) (resid 19 and name HG2) 4.0 2.2 1.7 !#A 518  5.01e+04
assign (resid 18 and name HN) (resid 19 and name HB1) 4.0 2.2 1.7 !#A 70  9.00e+04

!P19
assign (resid 19 and name HA) (resid 20 and name HN) 4.0 2.2 1.0 !#A 524  3.48e+05
assign (resid 19 and name HG1) (resid 20 and name HN) 4.0 2.2 1.7 !#A 522  3.22e+04
assign (resid 19 and name HB1) (resid 20 and name HN) 3.0 1.2 1.0 !#A 80  6.43e+04
assign (resid 19 and name HD2) (resid 21 and name HN) 4.0 2.2 1.7 !#A 427  3.93e+04
assign (resid 19 and name HB1) (resid 21 and name HN) 4.0 2.2 1.7 !#A 525  1.75e+05
assign (resid 19 and name HB2) (resid 22 and name HN) 4.0 2.2 1.7 !#A 426  3.54e+04

!A20
assign (resid 20 and name HB#) (resid 20 and name HN) 3.0 1.2 0.7 !#A 520  1.10e+05
assign (resid 20 and name HB#) (resid 21 and name HN) 3.0 1.2 0.7 !#A 84  6.83e+04
assign (resid 20 and name HN) (resid 21 and name HN) 3.0 1.2 0.3 !#A 83  1.41e+05
assign (resid 20 and name HA) (resid 21 and name HN) 4.0 2.2 1.0 !#A 526  2.57e+05

!E21
assign (resid 21 and name HG2) (resid 21 and name HN) 4.0 2.2 1.7 !#A 88  5.43e+04
assign (resid 21 and name HB1) (resid 21 and name HN) 4.0 2.2 1.7 !#A 85  1.64e+05
assign (resid 21 and name HB2) (resid 21 and name HN) 4.0 2.2 1.7 !#A 87  1.75e+05
assign (resid 21 and name HG1) (resid 21 and name HN) 4.0 2.2 1.7 !#A 421  1.01e+05
assign (resid 21 and name HA) (resid 21 and name HN) 3.0 1.2 0.3 !#A 89  2.57e+05
assign (resid 21 and name HG2) (resid 22 and name HN) 4.0 2.2 1.7 !#A 96  4.88e+04
assign (resid 21 and name HB1) (resid 22 and name HN) 4.0 2.2 1.7 !#A 528  5.47e+04
assign (resid 21 and name HN) (resid 22 and name HN) 4.0 2.2 1.0 !#A 91  4.53e+04
assign (resid 21 and name HB2) (resid 22 and name HN) 4.0 2.2 1.7 !#A 98  4.28e+04
assign (resid 21 and name HA) (resid 22 and name HN) 4.0 2.2 1.0 !#A 94  8.00e+05

!K22
assign (resid 22 and name HD#) (resid 22 and name HN) 4.0 2.2 1.0 !#A 101  8.22e+04
assign (resid 22 and name HB#) (resid 22 and name HN) 2.5 0.7 0.9 !#A 100  4.74e+05
assign (resid 22 and name HA) (resid 22 and name HN) 3.0 1.2 0.3 !#A 93  1.28e+05
assign (resid 22 and name HG2) (resid 23 and name HN) 4.0 2.2 1.7 !#A 422  3.73e+04
assign (resid 22 and name HB#) (resid 23 and name HN) 4.0 2.2 1.7 !#A 533  5.81e+04
assign (resid 22 and name HN) (resid 23 and name HA) 4.0 2.2 1.0 !#A 95  5.17e+04
assign (resid 22 and name HA) (resid 23 and name HN) 4.0 2.2 1.0 !#A 108  6.03e+05
assign (resid 22 and name HN) (resid 33 and name HG2) 4.0 2.2 1.7 !#A 531  5.19e+04

!I23
assign (resid 23 and name HG11) (resid 23 and name HN) 4.0 2.2 1.7 !#A 103  5.40e+04
assign (resid 23 and name HG12) (resid 23 and name HN) 3.0 1.2 1.0 !#A 104  9.53e+04
assign (resid 23 and name HB) (resid 23 and name HN) 2.5 0.7 0.2 !#A 105  1.75e+05
assign (resid 23 and name HG2#) (resid 23 and name HN) 4.0 2.2 1.4 !#A 532  7.81e+04
assign (resid 23 and name HA) (resid 23 and name HN) 3.0 1.2 0.3 !#A 107  1.20e+05
assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 1.0 !#A 109  4.25e+04
assign (resid 23 and name HD1#) (resid 24 and name HN) 4.0 2.2 1.4 !#A 534  1.37e+05
assign (resid 23 and name HB) (resid 24 and name HN) 4.0 2.2 1.0 !#A 112  7.20e+04
assign (resid 23 and name HA) (resid 24 and name HN) 2.5 0.7 0.2 !#A 115  2.88e+05
assign (resid 23 and name HG2#) (resid 25 and name HN) 4.0 2.2 1.4 !#A 535  1.31e+05

!V24
assign (resid 24 and name HB) (resid 24 and name HN) 3.0 1.2 0.3 !#A 113  1.96e+05
assign (resid 24 and name HA) (resid 24 and name HN) 3.0 1.2 0.3 !#A 114  9.28e+04
assign (resid 24 and name HN) (resid 25 and name HN) 4.0 2.2 1.0 !#A 121  3.32e+04
assign (resid 24 and name HG2#) (resid 25 and name HN) 4.0 2.2 1.4 !#A 117  3.75e+04
assign (resid 24 and name HG1#) (resid 25 and name HN) 4.0 2.2 1.4 !#A 437  1.31e+05
assign (resid 24 and name HA) (resid 25 and name HN) 2.5 0.7 0.2 !#A 120  5.26e+05
assign (resid 24 and name HG1#) (resid 31 and name HN) 4.0 2.2 1.4 !#A 447  7.76e+04
assign (resid 24 and name HB) (resid 31 and name HN) 3.0 1.2 0.3 !#A 446  8.07e+04
assign (resid 24 and name HN) (resid 31 and name HB2) 4.0 2.2 1.0 !#A 424  4.19e+04
assign (resid 24 and name HN) (resid 31 and name HN) 3.0 1.2 0.3 !#A 425  8.59e+04

!N25
assign (resid 25 and name HB2) (resid 25 and name HN) 3.0 1.2 0.3 !#A 118  9.21e+04
assign (resid 25 and name HN) (resid 26 and name HB1) 4.0 2.2 1.0 !#A 436  4.57e+04
assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 1.0 !#A 438  3.49e+04
assign (resid 25 and name HA) (resid 26 and name HN) 2.5 0.7 0.2 !#A 126  4.90e+05
assign (resid 25 and name HD22) (resid 28 and name HN) 4.0 2.2 1.0 !#A 133  3.79e+04
assign (resid 25 and name HA) (resid 31 and name HN) 3.0 1.2 0.3 !#A 547  3.41e+05

!S26
assign (resid 26 and name HB2) (resid 26 and name HN) 4.0 2.2 1.0 !#A 124  1.14e+05
assign (resid 26 and name HB1) (resid 26 and name HN) 3.0 1.2 0.3 !#A 123  7.06e+04
assign (resid 26 and name HA) (resid 27 and name HN) 3.0 1.2 0.3 !#A 128  9.78e+04
assign (resid 26 and name HA) (resid 28 and name HN) 4.0 2.2 1.0 !#A 442  3.70e+04
assign (resid 26 and name HN) (resid 28 and name HN) 4.0 2.2 1.0 !#A 135  4.80e+04
assign (resid 26 and name HN) (resid 29 and name HN) 4.0 2.2 1.0 !#A 143  8.42e+04
assign (resid 26 and name HN) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 538  7.58e+04
assign (resid 26 and name HN) (resid 30 and name HA) 4.0 2.2 1.0 !#A 537  4.90e+05
assign (resid 26 and name HN) (resid 31 and name HN) 4.0 2.2 1.0 !#A 440  4.28e+04

!N27
assign (resid 27 and name HA) (resid 27 and name HN) 3.0 1.2 0.3 !#A 127  8.78e+04
assign (resid 27 and name HN) (resid 28 and name HN) 4.0 2.2 1.0 !#A 441  3.89e+04
assign (resid 27 and name HA) (resid 28 and name HN) 3.0 1.2 0.3 !#A 130  1.59e+05
assign (resid 27 and name HB2) (resid 53 and name HN) 4.0 2.2 1.7 !#A 594  4.06e+04

!G28
assign (resid 28 and name HA2) (resid 28 and name HN) 3.0 1.2 1.0 !#A 131  1.50e+05
assign (resid 28 and name HA1) (resid 28 and name HN) 2.5 0.7 0.9 !#A 129  2.70e+05
assign (resid 28 and name HA2) (resid 29 and name HN) 3.0 1.2 1.0 !#A 542  1.36e+05
assign (resid 28 and name HN) (resid 29 and name HN) 3.0 1.2 0.3 !#A 142  1.42e+05
assign (resid 28 and name HA1) (resid 29 and name HN) 3.0 1.2 1.0 !#A 141  7.52e+04

!E29
assign (resid 29 and name HG1) (resid 29 and name HN) 3.0 1.2 1.0 !#A 138  8.56e+04
assign (resid 29 and name HB2) (resid 29 and name HN) 3.0 1.2 0.3 !#A 140  1.31e+05
assign (resid 29 and name HG2) (resid 29 and name HN) 4.0 2.2 1.7 !#A 139  1.04e+05
assign (resid 29 and name HA) (resid 29 and name HN) 3.0 1.2 0.3 !#A 543  1.36e+05
assign (resid 29 and name HB1) (resid 30 and name HN) 3.0 1.2 0.3 !#A 444  9.23e+04
assign (resid 29 and name HG2) (resid 30 and name HN) 4.0 2.2 1.7 !#A 151  4.71e+04
assign (resid 29 and name HA) (resid 30 and name HN) 2.5 0.7 0.2 !#A 152  3.57e+05
assign (resid 29 and name HN) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 540  3.85e+04
assign (resid 29 and name HN) (resid 54 and name HA) 4.0 2.2 1.0 !#A 541  7.52e+04

!L30
assign (resid 30 and name HB2) (resid 30 and name HN) 3.0 1.2 0.3 !#A 150  1.29e+05
assign (resid 30 and name HB1) (resid 30 and name HN) 4.0 2.2 1.0 !#A 147  6.41e+04
assign (resid 30 and name HD2#) (resid 30 and name HN) 3.0 1.2 1.8 !#A 149  1.24e+05
assign (resid 30 and name HA) (resid 30 and name HN) 3.0 1.2 0.3 !#A 153  6.62e+04
assign (resid 30 and name HB1) (resid 31 and name HN) 4.0 2.2 1.0 !#A 156  5.13e+04
assign (resid 30 and name HN) (resid 31 and name HN) 4.0 2.2 1.0 !#A 154  3.78e+04
assign (resid 30 and name HA) (resid 31 and name HN) 2.5 0.7 0.2 !#A 159  3.54e+05

!Y31
assign (resid 31 and name HB1) (resid 31 and name HN) 4.0 2.2 1.0 !#A 158  4.32e+04
assign (resid 31 and name HD1) (resid 31 and name HN) 4.0 2.2 1.0 !#A 448  6.09e+04
assign (resid 31 and name HB2) (resid 31 and name HN) 3.0 1.2 0.3 !#A 157  8.89e+04
assign (resid 31 and name HB1) (resid 32 and name HN) 4.0 2.2 1.0 !#A 549  1.61e+05
assign (resid 31 and name HB2) (resid 32 and name HN) 4.0 2.2 1.0 !#A 451  3.56e+04
assign (resid 31 and name HA) (resid 32 and name HN) 2.5 0.7 0.2 !#A 166  2.77e+05
assign (resid 31 and name HE2) (resid 53 and name HN) 4.0 2.2 1.0 !#A 597  4.14e+04

!H32
assign (resid 32 and name HB#) (resid 32 and name HN) 3.0 1.2 1.0 !#A 164  1.25e+05
assign (resid 32 and name HB#) (resid 33 and name HN) 4.0 2.2 1.7 !#A 171  8.28e+04
assign (resid 32 and name HN) (resid 33 and name HN) 4.0 2.2 1.0 !#A 172  3.19e+04
assign (resid 32 and name HA) (resid 33 and name HN) 2.5 0.7 0.2 !#A 170  2.47e+05
assign (resid 32 and name HB#) (resid 34 and name HN) 3.0 1.2 1.0 !#A 175  1.20e+05
assign (resid 32 and name HN) (resid 35 and name HB2) 4.0 2.2 1.0 !#A 548  1.61e+05
assign (resid 32 and name HN) (resid 35 and name HB1) 4.0 2.2 1.0 !#A 163  5.94e+04
assign (resid 32 and name HN) (resid 36 and name HE1) 4.0 2.2 1.0 !#A 453  4.10e+04

!E33
assign (resid 33 and name HG2) (resid 33 and name HN) 3.0 1.2 1.0 !#A 168  6.29e+04
assign (resid 33 and name HG1) (resid 33 and name HN) 3.0 1.2 1.0 !#A 551  2.09e+05
assign (resid 33 and name HB#) (resid 33 and name HN) 3.0 1.2 1.0 !#A 552  2.09e+05
assign (resid 33 and name HA) (resid 33 and name HN) 3.0 1.2 0.3 !#A 169  1.89e+05
assign (resid 33 and name HA) (resid 34 and name HN) 4.0 2.2 1.0 !#A 176  4.09e+04
assign (resid 33 and name HB#) (resid 34 and name HN) 4.0 2.2 1.7 !#A 554  2.31e+05
assign (resid 33 and name HG1) (resid 34 and name HN) 3.0 1.2 1.0 !#A 555  2.31e+05
assign (resid 33 and name HN) (resid 34 and name HN) 3.0 1.2 0.3 !#A 173  1.07e+05
assign (resid 33 and name HA) (resid 35 and name HN) 4.0 2.2 1.0 !#A 185  4.20e+04
assign (resid 33 and name HN) (resid 35 and name HN) 4.0 2.2 1.0 !#A 553  3.68e+04
assign (resid 33 and name HA) (resid 36 and name HN) 4.0 2.2 1.0 !#A 559  5.06e+04

!Q34
assign (resid 34 and name HB1) (resid 34 and name HN) 3.0 1.2 1.0 !#A 178  2.31e+05
assign (resid 34 and name HA) (resid 34 and name HN) 3.0 1.2 0.3 !#A 174  1.59e+05
assign (resid 34 and name HN) (resid 35 and name HN) 3.0 1.2 0.3 !#A 189  1.20e+05
assign (resid 34 and name HG#) (resid 35 and name HN) 4.0 2.2 1.7 !#A 181  6.50e+04
assign (resid 34 and name HA) (resid 35 and name HN) 2.5 0.7 0.2 !#A 186  1.66e+05

!C35
assign (resid 35 and name HB1) (resid 35 and name HN) 4.0 2.2 1.0 !#A 454  7.88e+04
assign (resid 35 and name HB2) (resid 35 and name HN) 3.0 1.2 0.3 !#A 182  1.42e+05
assign (resid 35 and name HN) (resid 36 and name HN) 2.5 0.7 0.2 !#A 188  3.40e+05
assign (resid 35 and name HB1) (resid 36 and name HN) 4.0 2.2 1.0 !#A 192  3.14e+04
assign (resid 35 and name HA) (resid 36 and name HN) 3.0 1.2 0.3 !#A 560  9.32e+04
assign (resid 35 and name HN) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 556  4.16e+04
assign (resid 35 and name HN) (resid 45 and name HN) 4.0 2.2 1.0 !#A 557  9.72e+04

!F36
assign (resid 36 and name HB1) (resid 36 and name HN) 4.0 2.2 1.0 !#A 190  9.57e+04
assign (resid 36 and name HB2) (resid 36 and name HN) 2.5 0.7 0.2 !#A 191  1.76e+05
assign (resid 36 and name HA) (resid 36 and name HN) 3.0 1.2 0.3 !#A 561  9.32e+04
assign (resid 36 and name HN) (resid 37 and name HN) 4.0 2.2 1.0 !#A 193  4.88e+04
assign (resid 36 and name HA) (resid 37 and name HN) 2.5 0.7 0.2 !#A 197  3.43e+05
assign (resid 36 and name HB2) (resid 45 and name HN) 4.0 2.2 1.0 !#A 581  6.17e+04
assign (resid 36 and name HN) (resid 48 and name HN) 4.0 2.2 1.0 !#A 587  4.64e+04
assign (resid 36 and name HB2) (resid 48 and name HN) 4.0 2.2 1.0 !#A 586  4.87e+04
assign (resid 36 and name HB2) (resid 49 and name HN) 4.0 2.2 1.0 !#A 588  4.25e+04

!V37
assign (resid 37 and name HG1#) (resid 37 and name HN) 3.0 1.2 1.8 !#A 195  2.25e+05
assign (resid 37 and name HA) (resid 37 and name HN) 3.0 1.2 0.3 !#A 196  6.75e+04
assign (resid 37 and name HG1#) (resid 38 and name HN) 3.0 1.2 1.8 !#A 455  9.21e+04
assign (resid 37 and name HB) (resid 38 and name HN) 3.0 1.2 0.3 !#A 198  1.98e+05
assign (resid 37 and name HA) (resid 38 and name HN) 2.5 0.7 0.2 !#A 201  3.39e+05
assign (resid 37 and name HB) (resid 39 and name HN) 4.0 2.2 1.0 !#A 565  3.31e+04
assign (resid 37 and name HG1#) (resid 42 and name HN) 4.0 2.2 2.5 !#A 238  5.32e+04
assign (resid 37 and name HB) (resid 43 and name HN) 4.0 2.2 1.0 !#A 243  3.62e+04
assign (resid 37 and name HG1#) (resid 43 and name HN) 4.0 2.2 2.5 !#A 580  4.07e+04
assign (resid 37 and name HA) (resid 45 and name HN) 4.0 2.2 1.0 !#A 263  5.75e+04

!C38
assign (resid 38 and name HB1) (resid 38 and name HN) 2.5 0.7 0.2 !#A 200  2.14e+05
assign (resid 38 and name HB2) (resid 38 and name HN) 2.5 0.7 0.2 !#A 199  1.74e+05
assign (resid 38 and name HA) (resid 38 and name HN) 3.0 1.2 0.3 !#A 202  8.26e+04
assign (resid 38 and name HA) (resid 39 and name HN) 2.5 0.7 0.2 !#A 211  3.74e+05
assign (resid 38 and name HB1) (resid 42 and name HN) 3.0 1.2 0.3 !#A 464  1.18e+05
assign (resid 38 and name HN) (resid 42 and name HN) 4.0 2.2 1.0 !#A 242  1.10e+05
assign (resid 38 and name HN) (resid 42 and name HB2) 4.0 2.2 1.7 !#A 456  3.68e+04
assign (resid 38 and name HN) (resid 42 and name HA) 4.0 2.2 1.0 !#A 203  4.45e+04
assign (resid 38 and name HN) (resid 42 and name HD2) 4.0 2.2 1.0 !#A 562  5.40e+04
assign (resid 38 and name HB1) (resid 43 and name HN) 4.0 2.2 1.0 !#A 467  1.19e+05
assign (resid 38 and name HN) (resid 43 and name HN) 3.0 1.2 0.3 !#A 204  1.09e+05
assign (resid 38 and name HN) (resid 44 and name HA) 4.0 2.2 1.0 !#A 564  3.21e+04
assign (resid 38 and name HN) (resid 57 and name HE2) 3.0 1.2 1.0 !#A 563  1.74e+05
assign (resid 38 and name HB2) (resid 59 and name HN) 4.0 2.2 1.0 !#A 339  5.02e+04
assign (resid 38 and name HB1) (resid 59 and name HN) 4.0 2.2 1.0 !#A 613  6.14e+04

!A39
assign (resid 39 and name HB#) (resid 39 and name HN) 2.5 0.7 0.6 !#A 205  2.89e+05
assign (resid 39 and name HA) (resid 39 and name HN) 3.0 1.2 0.3 !#A 210  7.62e+04
assign (resid 39 and name HN) (resid 40 and name HN) 3.0 1.2 0.3 !#A 569  1.17e+05
assign (resid 39 and name HN) (resid 57 and name HN) 4.0 2.2 1.0 !#A 609  3.54e+04
assign (resid 39 and name HN) (resid 57 and name HE2) 4.0 2.2 1.7 !#A 566  3.80e+04
assign (resid 39 and name HN) (resid 57 and name HD2) 4.0 2.2 1.0 !#A 458  3.68e+04
assign (resid 39 and name HN) (resid 58 and name HE2) 4.0 2.2 1.0 !#A 570  4.52e+04
assign (resid 39 and name HN) (resid 58 and name HN) 4.0 2.2 1.0 !#A 568  1.17e+05
assign (resid 39 and name HN) (resid 58 and name HD2) 4.0 2.2 1.0 !#A 567  3.77e+04
assign (resid 39 and name HN) (resid 58 and name HA) 3.0 1.2 0.3 !#A 212  8.51e+04
assign (resid 39 and name HN) (resid 59 and name HN) 4.0 2.2 1.0 !#A 487  3.37e+04

!Q40
assign (resid 40 and name HA) (resid 40 and name HN) 4.0 2.2 1.0 !#A 218  5.54e+04
assign (resid 40 and name HG2) (resid 40 and name HN) 4.0 2.2 1.7 !#A 228  6.01e+04
assign (resid 40 and name HG1) (resid 40 and name HN) 2.5 0.7 0.9 !#A 573  2.10e+05
assign (resid 40 and name HG1) (resid 41 and name HN) 3.0 1.2 1.0 !#A 462  1.63e+05
assign (resid 40 and name HB#) (resid 41 and name HN) 2.5 0.7 0.9 !#A 578  1.63e+05
assign (resid 40 and name HN) (resid 41 and name HN) 3.0 1.2 0.3 !#A 234  2.09e+05
assign (resid 40 and name HG1) (resid 42 and name HN) 4.0 2.2 1.7 !#A 463  4.31e+04
assign (resid 40 and name HN) (resid 42 and name HN) 4.0 2.2 1.0 !#A 239  6.16e+04
assign (resid 40 and name HN) (resid 58 and name HE2) 4.0 2.2 1.0 !#A 575  4.21e+04

!C41
assign (resid 41 and name HB1) (resid 41 and name HN) 4.0 2.2 1.7 !#A 229  5.57e+04
assign (resid 41 and name HB2) (resid 41 and name HN) 3.0 1.2 1.0 !#A 230  1.40e+05
assign (resid 41 and name HN) (resid 42 and name HA) 4.0 2.2 1.0 !#A 231  4.35e+04
assign (resid 41 and name HN) (resid 42 and name HN) 2.5 0.7 0.2 !#A 240  2.54e+05
assign (resid 41 and name HA) (resid 42 and name HN) 4.0 2.2 1.0 !#A 237  5.03e+04
assign (resid 41 and name HB1) (resid 42 and name HN) 4.0 2.2 1.7 !#A 465  5.73e+04
assign (resid 41 and name HN) (resid 58 and name HD2) 4.0 2.2 1.0 !#A 579  4.14e+04

!F42
assign (resid 42 and name HA) (resid 42 and name HN) 2.5 0.7 0.2 !#A 236  4.46e+05
assign (resid 42 and name HN) (resid 43 and name HN) 3.0 1.2 0.3 !#A 241  1.26e+05
assign (resid 42 and name HA) (resid 43 and name HN) 3.0 1.2 0.3 !#A 246  8.05e+04

!Q43
assign (resid 43 and name HG2) (resid 43 and name HN) 4.0 2.2 1.7 !#A 466  8.09e+04
assign (resid 43 and name HB#) (resid 43 and name HN) 2.5 0.7 0.9 !#A 244  1.85e+05
assign (resid 43 and name HG1) (resid 43 and name HN) 4.0 2.2 1.7 !#A 249  9.30e+04
assign (resid 43 and name HB#) (resid 44 and name HN) 4.0 2.2 1.7 !#A 256  2.58e+05
assign (resid 43 and name HA) (resid 44 and name HN) 2.5 0.7 0.2 !#A 258  3.09e+05

!Q44
assign (resid 44 and name HB1) (resid 44 and name HN) 4.0 2.2 1.0 !#A 255  9.16e+04
assign (resid 44 and name HB2) (resid 44 and name HN) 3.0 1.2 0.3 !#A 254  1.69e+05
assign (resid 44 and name HG#) (resid 44 and name HN) 2.5 0.7 0.9 !#A 468  2.49e+05
assign (resid 44 and name HA) (resid 44 and name HN) 3.0 1.2 0.3 !#A 257  1.04e+05
assign (resid 44 and name HB2) (resid 45 and name HN) 4.0 2.2 1.0 !#A 259  4.26e+04
assign (resid 44 and name HB1) (resid 45 and name HN) 3.0 1.2 0.3 !#A 260  1.05e+05
assign (resid 44 and name HA) (resid 45 and name HN) 2.5 0.7 0.2 !#A 264  3.84e+05

!F45
assign (resid 45 and name HB2) (resid 45 and name HN) 3.0 1.2 0.3 !#A 261  1.67e+05
assign (resid 45 and name HD2) (resid 45 and name HN) 4.0 2.2 1.0 !#A 469  9.80e+04
assign (resid 45 and name HB1) (resid 45 and name HN) 4.0 2.2 1.0 !#A 262  6.17e+04
assign (resid 45 and name HA) (resid 45 and name HN) 3.0 1.2 0.3 !#A 267  9.09e+04

!P46
assign (resid 46 and name HB1) (resid 47 and name HN) 4.0 2.2 1.0 !#A 470  4.91e+04
assign (resid 46 and name HG2) (resid 47 and name HN) 4.0 2.2 1.7 !#A 582  4.91e+04
assign (resid 46 and name HA) (resid 47 and name HN) 3.0 1.2 0.3 !#A 269  4.13e+05
assign (resid 46 and name HB2) (resid 47 and name HN) 4.0 2.2 1.0 !#A 584  7.72e+04
assign (resid 46 and name HB2) (resid 48 and name HN) 4.0 2.2 1.0 !#A 585  5.81e+04
assign (resid 46 and name HA) (resid 48 and name HN) 4.0 2.2 1.0 !#A 277  3.50e+04

!E47
assign (resid 47 and name HB2) (resid 47 and name HN) 3.0 1.2 1.0 !#A 583  7.78e+04
assign (resid 47 and name HB1) (resid 47 and name HN) 4.0 2.2 1.7 !#A 471  7.72e+04
assign (resid 47 and name HA) (resid 47 and name HN) 3.0 1.2 0.3 !#A 268  3.23e+05
assign (resid 47 and name HB1) (resid 48 and name HN) 4.0 2.2 1.7 !#A 272  5.81e+04
assign (resid 47 and name HN) (resid 48 and name HN) 3.0 1.2 0.3 !#A 279  1.06e+05
assign (resid 47 and name HA) (resid 48 and name HN) 4.0 2.2 1.0 !#A 275  8.33e+04

!G48
assign (resid 48 and name HA2) (resid 48 and name HN) 2.5 0.7 0.9 !#A 276  1.94e+05
assign (resid 48 and name HA1) (resid 48 and name HN) 3.0 1.2 1.0 !#A 273  2.62e+05
assign (resid 48 and name HN) (resid 49 and name HB#) 4.0 2.2 1.7 !#A 271  4.14e+04
assign (resid 48 and name HN) (resid 49 and name HN) 2.5 0.7 0.2 !#A 278  2.03e+05
assign (resid 48 and name HA2) (resid 49 and name HN) 3.0 1.2 1.0 !#A 285  6.30e+04
assign (resid 48 and name HA1) (resid 49 and name HN) 4.0 2.2 1.7 !#A 283  7.35e+04

!L49
assign (resid 49 and name HG) (resid 49 and name HN) 4.0 2.2 1.0 !#A 280  7.24e+04
assign (resid 49 and name HB#) (resid 49 and name HN) 3.0 1.2 1.0 !#A 282  3.30e+05
assign (resid 49 and name HA) (resid 49 and name HN) 3.0 1.2 0.3 !#A 284  1.09e+05
assign (resid 49 and name HB#) (resid 50 and name HN) 4.0 2.2 1.7 !#A 290  4.44e+04
assign (resid 49 and name HN) (resid 50 and name HN) 4.0 2.2 1.0 !#A 293  3.31e+04
assign (resid 49 and name HG) (resid 50 and name HN) 4.0 2.2 1.0 !#A 289  3.24e+04
assign (resid 49 and name HA) (resid 50 and name HN) 3.0 1.2 0.3 !#A 291  4.64e+05

!F50
assign (resid 50 and name HD1) (resid 50 and name HN) 4.0 2.2 1.0 !#A 292  5.10e+04
assign (resid 50 and name HN) (resid 51 and name HA) 4.0 2.2 1.0 !#A 473  4.71e+04
assign (resid 50 and name HB2) (resid 51 and name HN) 3.0 1.2 1.0 !#A 296  1.02e+05
assign (resid 50 and name HB1) (resid 51 and name HN) 4.0 2.2 1.7 !#A 294  5.08e+04
assign (resid 50 and name HA) (resid 51 and name HN) 4.0 2.2 1.0 !#A 590  1.78e+05
assign (resid 50 and name HD2) (resid 59 and name HN) 4.0 2.2 1.0 !#A 488  3.81e+04
assign (resid 50 and name HD2) (resid 60 and name HN) 4.0 2.2 1.0 !#A 617  3.25e+04

!Y51
assign (resid 51 and name HB1) (resid 51 and name HN) 4.0 2.2 1.0 !#A 295  4.42e+04
assign (resid 51 and name HB2) (resid 51 and name HN) 3.0 1.2 0.3 !#A 297  7.60e+04
assign (resid 51 and name HB1) (resid 52 and name HN) 4.0 2.2 1.0 !#A 298  8.45e+04
assign (resid 51 and name HA) (resid 52 and name HN) 2.5 0.7 0.2 !#A 303  3.79e+05
assign (resid 51 and name HN) (resid 58 and name HN) 4.0 2.2 1.0 !#A 591  8.82e+04

!E52
assign (resid 52 and name HB1) (resid 52 and name HN) 3.0 1.2 1.0 !#A 299  1.47e+05
assign (resid 52 and name HB2) (resid 52 and name HN) 3.0 1.2 1.0 !#A 592  1.35e+05
assign (resid 52 and name HG1) (resid 52 and name HN) 3.0 1.2 1.0 !#A 593  1.35e+05
assign (resid 52 and name HG2) (resid 52 and name HN) 3.0 1.2 1.0 !#A 301  6.33e+04
assign (resid 52 and name HA) (resid 52 and name HN) 4.0 2.2 1.0 !#A 305  5.53e+04
assign (resid 52 and name HG2) (resid 53 and name HN) 4.0 2.2 1.7 !#A 306  3.56e+04
assign (resid 52 and name HB2) (resid 53 and name HN) 4.0 2.2 1.7 !#A 307  5.85e+04
assign (resid 52 and name HB1) (resid 53 and name HN) 4.0 2.2 1.7 !#A 308  3.98e+04
assign (resid 52 and name HA) (resid 53 and name HN) 2.5 0.7 0.2 !#A 311  3.43e+05
assign (resid 52 and name HN) (resid 58 and name HN) 4.0 2.2 1.0 !#A 220  4.10e+04
assign (resid 52 and name HA) (resid 58 and name HN) 4.0 2.2 1.0 !#A 226  4.02e+04

!F53
assign (resid 53 and name HB1) (resid 53 and name HN) 4.0 2.2 1.7 !#A 309  4.32e+04
assign (resid 53 and name HA) (resid 54 and name HN) 2.5 0.7 0.2 !#A 598  5.16e+05
assign (resid 53 and name HN) (resid 56 and name HN) 4.0 2.2 1.0 !#A 313  1.08e+05
assign (resid 53 and name HN) (resid 57 and name HA) 3.0 1.2 0.3 !#A 596  9.32e+04
assign (resid 53 and name HN) (resid 58 and name HD1) 4.0 2.2 1.0 !#A 475  4.69e+04

!E54
assign (resid 54 and name HB1) (resid 54 and name HN) 3.0 1.2 1.0 !#A 476  6.57e+04
assign (resid 54 and name HG1) (resid 54 and name HN) 4.0 2.2 1.7 !#A 315  7.12e+04
assign (resid 54 and name HB2) (resid 54 and name HN) 4.0 2.2 1.7 !#A 479  4.22e+04
assign (resid 54 and name HA) (resid 54 and name HN) 3.0 1.2 0.3 !#A 314  2.36e+05
assign (resid 54 and name HB1) (resid 55 and name HN) 4.0 2.2 1.7 !#A 601  4.29e+04
assign (resid 54 and name HG2) (resid 55 and name HN) 4.0 2.2 1.7 !#A 600  4.29e+04
assign (resid 54 and name HN) (resid 55 and name HN) 4.0 2.2 1.0 !#A 316  8.20e+04
assign (resid 54 and name HN) (resid 55 and name HA1) 4.0 2.2 1.7 !#A 478  3.73e+04
assign (resid 54 and name HA) (resid 55 and name HN) 3.0 1.2 0.3 !#A 319  2.91e+05
assign (resid 54 and name HA) (resid 56 and name HN) 4.0 2.2 1.0 !#A 328  4.94e+04
assign (resid 54 and name HB1) (resid 56 and name HN) 4.0 2.2 1.7 !#A 603  3.58e+04
assign (resid 54 and name HN) (resid 56 and name HN) 4.0 2.2 1.0 !#A 599  3.40e+04

!G55
assign (resid 55 and name HA1) (resid 55 and name HN) 2.5 0.7 0.9 !#A 318  3.49e+05
assign (resid 55 and name HA2) (resid 55 and name HN) 2.5 0.7 0.9 !#A 317  1.83e+05
assign (resid 55 and name HN) (resid 56 and name HN) 2.5 0.7 0.2 !#A 322  1.66e+05
assign (resid 55 and name HA1) (resid 56 and name HN) 3.0 1.2 1.0 !#A 329  6.74e+04
assign (resid 55 and name HA2) (resid 56 and name HN) 4.0 2.2 1.7 !#A 330  4.32e+04

!R56
assign (resid 56 and name HB2) (resid 56 and name HN) 3.0 1.2 1.0 !#A 480  1.10e+05
assign (resid 56 and name HG2) (resid 56 and name HN) 4.0 2.2 1.7 !#A 326  4.05e+04
assign (resid 56 and name HA) (resid 56 and name HN) 4.0 2.2 1.0 !#A 482  5.87e+04
assign (resid 56 and name HG1) (resid 56 and name HN) 4.0 2.2 1.7 !#A 602  3.58e+04
assign (resid 56 and name HA) (resid 57 and name HN) 2.5 0.7 0.2 !#A 337  2.59e+05
assign (resid 56 and name HB1) (resid 57 and name HN) 3.0 1.2 1.0 !#A 605  1.47e+05
assign (resid 56 and name HG2) (resid 57 and name HN) 4.0 2.2 1.7 !#A 604  3.30e+04

!K57
assign (resid 57 and name HD2) (resid 57 and name HN) 4.0 2.2 1.0 !#A 607  5.69e+04
assign (resid 57 and name HB1) (resid 57 and name HN) 4.0 2.2 1.0 !#A 483  5.69e+04
assign (resid 57 and name HG1) (resid 57 and name HN) 4.0 2.2 1.7 !#A 336  3.52e+04
assign (resid 57 and name HA) (resid 57 and name HN) 3.0 1.2 0.3 !#A 484  6.79e+04
assign (resid 57 and name HB2) (resid 57 and name HN) 4.0 2.2 1.0 !#A 334  1.35e+05
assign (resid 57 and name HG2) (resid 57 and name HN) 3.0 1.2 1.0 !#A 606  1.47e+05
assign (resid 57 and name HA) (resid 58 and name HN) 2.5 0.7 0.2 !#A 610  2.92e+05
assign (resid 57 and name HB1) (resid 58 and name HN) 4.0 2.2 1.0 !#A 572  4.92e+04

!Y58
assign (resid 58 and name HB1) (resid 58 and name HN) 4.0 2.2 1.0 !#A 214  9.29e+04
assign (resid 58 and name HD1) (resid 58 and name HN) 3.0 1.2 0.3 !#A 460  1.21e+05
assign (resid 58 and name HN) (resid 59 and name HN) 4.0 2.2 1.0 !#A 611  3.18e+04
assign (resid 58 and name HB2) (resid 59 and name HN) 4.0 2.2 1.0 !#A 342  6.63e+04
assign (resid 58 and name HB1) (resid 59 and name HN) 4.0 2.2 1.0 !#A 338  5.68e+04
assign (resid 58 and name HD2) (resid 59 and name HN) 4.0 2.2 1.0 !#A 346  4.24e+04
assign (resid 58 and name HA) (resid 59 and name HN) 2.5 0.7 0.2 !#A 345  2.14e+05
assign (resid 58 and name HB2) (resid 63 and name HN) 4.0 2.2 1.0 !#A 369  5.47e+04

!C59
assign (resid 59 and name HB1) (resid 59 and name HN) 4.0 2.2 1.0 !#A 343  3.81e+04
assign (resid 59 and name HN) (resid 60 and name HN) 4.0 2.2 1.0 !#A 347  5.52e+04
assign (resid 59 and name HB1) (resid 60 and name HN) 4.0 2.2 1.0 !#A 349  1.01e+05
assign (resid 59 and name HB1) (resid 61 and name HN) 4.0 2.2 1.0 !#A 354  5.22e+04
assign (resid 59 and name HB2) (resid 61 and name HN) 2.5 0.7 0.2 !#A 618  2.24e+05
assign (resid 59 and name HN) (resid 61 and name HB1) 4.0 2.2 1.7 !#A 612  6.14e+04
assign (resid 59 and name HN) (resid 62 and name HB2) 4.0 2.2 1.0 !#A 486  4.96e+04
assign (resid 59 and name HN) (resid 63 and name HN) 4.0 2.2 1.0 !#A 627  3.16e+04

!E60
assign (resid 60 and name HB1) (resid 60 and name HN) 4.0 2.2 1.7 !#A 491  5.92e+04
assign (resid 60 and name HG1) (resid 60 and name HN) 4.0 2.2 1.7 !#A 614  5.92e+04
assign (resid 60 and name HB2) (resid 60 and name HN) 2.5 0.7 0.9 !#A 615  1.58e+05
assign (resid 60 and name HB1) (resid 61 and name HN) 3.0 1.2 1.0 !#A 622  6.98e+04
assign (resid 60 and name HB2) (resid 61 and name HN) 4.0 2.2 1.7 !#A 620  5.77e+04
assign (resid 60 and name HG2) (resid 61 and name HN) 4.0 2.2 1.7 !#A 621  5.77e+04
assign (resid 60 and name HA) (resid 61 and name HN) 4.0 2.2 1.0 !#A 355  3.85e+04
assign (resid 60 and name HN) (resid 61 and name HN) 3.0 1.2 0.3 !#A 360  8.21e+04
assign (resid 60 and name HG1) (resid 64 and name HN) 3.0 1.2 1.0 !#A 628  1.88e+05

!H61
assign (resid 61 and name HB2) (resid 61 and name HN) 2.5 0.7 0.9 !#A 619  2.24e+05
assign (resid 61 and name HB1) (resid 61 and name HN) 2.5 0.7 0.9 !#A 356  1.88e+05
assign (resid 61 and name HA) (resid 61 and name HN) 3.0 1.2 0.3 !#A 353  1.66e+05
assign (resid 61 and name HB1) (resid 62 and name HN) 2.5 0.7 0.9 !#A 623  2.00e+05
assign (resid 61 and name HA) (resid 62 and name HN) 4.0 2.2 1.0 !#A 493  3.11e+04
assign (resid 61 and name HB2) (resid 62 and name HN) 3.0 1.2 1.0 !#A 494  7.51e+04

!D62
assign (resid 62 and name HB1) (resid 62 and name HN) 4.0 2.2 1.0 !#A 361  6.96e+04
assign (resid 62 and name HB2) (resid 62 and name HN) 2.5 0.7 0.2 !#A 624  2.00e+05
assign (resid 62 and name HA) (resid 62 and name HN) 3.0 1.2 0.3 !#A 362  8.43e+04
assign (resid 62 and name HN) (resid 63 and name HN) 3.0 1.2 0.3 !#A 374  1.63e+05
assign (resid 62 and name HB1) (resid 63 and name HN) 4.0 2.2 1.0 !#A 626  4.54e+04
assign (resid 62 and name HB2) (resid 63 and name HN) 4.0 2.2 1.0 !#A 368  5.07e+04
assign (resid 62 and name HA) (resid 63 and name HN) 4.0 2.2 1.0 !#A 372  1.07e+05

!F63
assign (resid 63 and name HB2) (resid 63 and name HN) 3.0 1.2 0.3 !#A 367  1.20e+05
assign (resid 63 and name HB1) (resid 63 and name HN) 3.0 1.2 0.3 !#A 365  1.24e+05
assign (resid 63 and name HA) (resid 63 and name HN) 3.0 1.2 0.3 !#A 370  8.82e+04
assign (resid 63 and name HA) (resid 64 and name HN) 4.0 2.2 1.0 !#A 381  3.77e+04
assign (resid 63 and name HD1) (resid 64 and name HN) 4.0 2.2 1.0 !#A 629  3.58e+04
assign (resid 63 and name HB1) (resid 64 and name HN) 3.0 1.2 0.3 !#A 378  9.29e+04
assign (resid 63 and name HN) (resid 64 and name HG1) 4.0 2.2 1.7 !#A 495  4.54e+04
assign (resid 63 and name HN) (resid 64 and name HN) 3.0 1.2 0.3 !#A 383  1.36e+05

!Q64
assign (resid 64 and name HG1) (resid 64 and name HN) 4.0 2.2 1.7 !#A 496  6.84e+04
assign (resid 64 and name HB2) (resid 64 and name HN) 3.0 1.2 1.0 !#A 376  1.88e+05
assign (resid 64 and name HG2) (resid 64 and name HN) 4.0 2.2 1.7 !#A 377  6.03e+04
assign (resid 64 and name HB1) (resid 64 and name HN) 3.0 1.2 1.0 !#A 375  1.08e+05
assign (resid 64 and name HA) (resid 64 and name HN) 3.0 1.2 0.3 !#A 380  1.23e+05
assign (resid 64 and name HN) (resid 65 and name HN) 3.0 1.2 0.3 !#A 382  1.52e+05
assign (resid 64 and name HB2) (resid 65 and name HN) 4.0 2.2 1.7 !#A 389  8.26e+04
assign (resid 64 and name HA) (resid 65 and name HN) 4.0 2.2 1.0 !#A 497  5.44e+04
assign (resid 64 and name HB2) (resid 66 and name HN) 4.0 2.2 1.7 !#A 396  3.88e+04
assign (resid 64 and name HA) (resid 67 and name HN) 4.0 2.2 1.0 !#A 637  3.93e+04

!M65
assign (resid 65 and name HG2) (resid 65 and name HN) 4.0 2.2 1.7 !#A 387  4.95e+04
assign (resid 65 and name HB#) (resid 65 and name HN) 2.5 0.7 0.9 !#A 630  2.44e+05
assign (resid 65 and name HG1) (resid 65 and name HN) 4.0 2.2 1.7 !#A 388  7.16e+04
assign (resid 65 and name HA) (resid 65 and name HN) 3.0 1.2 0.3 !#A 384  1.44e+05
assign (resid 65 and name HB#) (resid 67 and name HN) 4.0 2.2 1.7 !#A 636  5.88e+04
assign (resid 65 and name HN) (resid 67 and name HA) 4.0 2.2 1.0 !#A 385  5.99e+04

!L66
assign (resid 66 and name HB2) (resid 66 and name HN) 3.0 1.2 0.3 !#A 393  1.04e+05
assign (resid 66 and name HD1#) (resid 66 and name HN) 4.0 2.2 2.5 !#A 632  3.52e+04
assign (resid 66 and name HG) (resid 66 and name HN) 4.0 2.2 1.0 !#A 498  1.55e+05
assign (resid 66 and name HD2#) (resid 66 and name HN) 4.0 2.2 2.5 !#A 392  3.74e+04
assign (resid 66 and name HA) (resid 66 and name HN) 3.0 1.2 0.3 !#A 397  9.28e+04
assign (resid 66 and name HB2) (resid 67 and name HN) 3.0 1.2 0.3 !#A 399  6.66e+04
assign (resid 66 and name HB1) (resid 67 and name HN) 4.0 2.2 1.0 !#A 398  3.71e+04
assign (resid 66 and name HN) (resid 67 and name HN) 3.0 1.2 0.3 !#A 403  1.25e+05
assign (resid 66 and name HA) (resid 67 and name HN) 4.0 2.2 1.0 !#A 401  5.09e+04

!F67
assign (resid 67 and name HB1) (resid 67 and name HN) 4.0 2.2 1.0 !#A 400  5.40e+04
assign (resid 67 and name HB2) (resid 67 and name HN) 3.0 1.2 0.3 !#A 635  7.20e+04
assign (resid 67 and name HA) (resid 68 and name HN) 3.0 1.2 0.3 !#A 641  8.48e+04
assign (resid 67 and name HB2) (resid 68 and name HN) 4.0 2.2 1.0 !#A 639  3.46e+04
assign (resid 67 and name HN) (resid 68 and name HN) 3.0 1.2 0.3 !#A 638  1.25e+05

!A68
assign (resid 68 and name HB#) (resid 68 and name HN) 3.0 1.2 0.7 !#A 404  1.25e+05
assign (resid 68 and name HA) (resid 68 and name HN) 3.0 1.2 0.3 !#A 642  8.48e+04
assign (resid 68 and name HN) (resid 69 and name HD2) 4.0 2.2 1.7 !#A 640  3.13e+04

!P69
assign (resid 69 and name HB1) (resid 70 and name HN) 4.0 2.2 1.7 !#A 407  3.63e+04
assign (resid 69 and name HA) (resid 70 and name HN) 3.0 1.2 0.3 !#A 405  1.26e+05

!C70
assign (resid 70 and name HA) (resid 70 and name HN) 3.0 1.2 0.3 !#A 406  6.70e+04

! EDITING HIST.: mannually edited: added back the ones that were removed
! in run11; removed the ones that were violated >0.45 A iN RUN 10. Mar29.
! EDITING HIST.: mannually edited some violated noes from run9 on Mar27
! Editing history: relaxed S and M NOEs on Fri Mar 24 14:28:16 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 16:48:22 EST 2000
! Editing history: added pseudoatom corrections for nonstereoassigned methylenes (0.7 A)
! on Wed Mar 22 15:51:48 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 14:26:53 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Tue Mar 21 16:07:50 EST 2000
! Editing history: added pseudoatom corrections for Me and i-Pr groups (0.4 & 1.5 A)
! on Thu Mar 16 14:55:45 EST 2000
!EDIT_HISTORY
! A(51)  aro.PCK.uniq   Thu Mar 16 11:32:55 2000


!M1

!A2

!N3

!A4

!L5

!A6

!S7

!A8

!T9
assign (resid 9 and name HA) (resid 17 and name HD2) 3.0 1.2 0.3 !#A 108  5.38e+04

!C10
assign (resid 10 and name HA) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 58  5.38e+04

!E11
assign (resid 11 and name HB1) (resid 17 and name HE1) 4.0 2.2 1.7 !#A 68  3.10e+04

!R12

!C13

!K14

!G15

!G16

!F17
assign (resid 17 and name HB2) (resid 17 and name HD1) 3.0 1.2 0.3 !#A 62  5.28e+04
assign (resid 17 and name HD2) (resid 18 and name HB#) 4.0 2.2 1.4 !#A 106  4.35e+04
assign (resid 17 and name HE1) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 67  3.99e+04
assign (resid 17 and name HD1) (resid 23 and name HA) 4.0 2.2 1.0 !#A 63  2.82e+04
assign (resid 17 and name HD1) (resid 24 and name HG2#) 4.0 2.2 1.4 !#A 105  4.57e+04
assign (resid 17 and name HZ) (resid 30 and name HB1) 2.5 0.7 0.2 !#A 15  5.06e+04
assign (resid 17 and name HZ) (resid 30 and name HD2#) 3.0 1.2 1.8 !#A 14  3.00e+04
assign (resid 17 and name HD1) (resid 30 and name HB1) 4.0 2.2 1.0 !#A 3  4.70e+04
assign (resid 17 and name HD1) (resid 32 and name HD2) 4.0 2.2 1.0 !#A 27  6.53e+04

!A18

!P19

!A20

!E21

!K22

!I23

!V24
assign (resid 24 and name HG2#) (resid 31 and name HD1) 4.0 2.2 1.4 !#A 112  3.31e+04
assign (resid 24 and name HG2#) (resid 36 and name HE1) 3.0 1.2 0.7 !#A 79  3.88e+04

!N25
assign (resid 25 and name HB2) (resid 31 and name HD1) 4.0 2.2 1.0 !#A 73  2.42e+04
assign (resid 25 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 17  5.20e+04

!S26
assign (resid 26 and name HA) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 115  2.11e+04

!N27

!G28

!E29

!L30

!Y31
assign (resid 31 and name HE2) (resid 57 and name HE1) 4.0 2.2 1.7 !#A 114  2.67e+04
assign (resid 31 and name HE2) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 113  2.53e+04
assign (resid 31 and name HD2) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 111  3.18e+04
assign (resid 31 and name HE2) (resid 57 and name HG2) 4.0 2.2 1.7 !#A 23  4.08e+04
assign (resid 31 and name HE2) (resid 57 and name HD2) 3.0 1.2 0.3 !#A 22  7.15e+04
assign (resid 31 and name HE2) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 21  2.65e+04

!H32
assign (resid 32 and name HB#) (resid 32 and name HD2) 4.0 2.2 1.7 !#A 103  2.45e+04
assign (resid 32 and name HA) (resid 32 and name HD2) 3.0 1.2 0.3 !#A 26  3.51e+04

!E33

!Q34

!C35

!F36
assign (resid 36 and name HA) (resid 36 and name HE1) 4.0 2.2 1.0 !#A 32  3.73e+04
assign (resid 36 and name HE2) (resid 49 and name HA) 4.0 2.2 1.0 !#A 119  3.16e+04
assign (resid 36 and name HB2) (resid 50 and name HE2) 4.0 2.2 1.0 !#A 122  5.43e+04

!V37

!C38
assign (resid 38 and name HA) (resid 50 and name HE2) 4.0 2.2 1.0 !#A 91  6.26e+04

!A39

!Q40
assign (resid 40 and name HB#) (resid 58 and name HD2) 4.0 2.2 1.7 !#A 98  4.52e+04
assign (resid 40 and name HG1) (resid 58 and name HD2) 3.0 1.2 1.0 !#A 50  6.34e+04

!C41

!F42

!Q43
assign (resid 43 and name HG1) (resid 45 and name HD1) 4.0 2.2 1.7 !#A 121  2.94e+04

!Q44

!F45
assign (resid 45 and name HD2) (resid 46 and name HD2) 4.0 2.2 1.7 !#A 83  2.78e+04
assign (resid 45 and name HD1) (resid 50 and name HB1) 4.0 2.2 1.7 !#A 86  4.35e+04

!P46

!E47

!G48

!L49
assign (resid 49 and name HD2#) (resid 51 and name HD2) 4.0 2.2 2.5 !#A 96  6.34e+04

!F50
assign (resid 50 and name HB1) (resid 50 and name HE2) 4.0 2.2 1.7 !#A 123  2.90e+04
assign (resid 50 and name HB1) (resid 50 and name HD1) 3.0 1.2 1.0 !#A 36  3.79e+04
assign (resid 50 and name HD1) (resid 51 and name HA) 4.0 2.2 1.0 !#A 87  2.03e+04
assign (resid 50 and name HE2) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 93  2.88e+04
assign (resid 50 and name HE2) (resid 58 and name HA) 4.0 2.2 1.0 !#A 88  2.56e+04
assign (resid 50 and name HE2) (resid 59 and name HB2) 4.0 2.2 1.0 !#A 89  3.51e+04

!Y51
assign (resid 51 and name HD1) (resid 58 and name HD1) 4.0 2.2 1.0 !#A 45  7.38e+04
assign (resid 51 and name HD1) (resid 63 and name HE2) 3.0 1.2 0.3 !#A 38  3.41e+04

!E52

!F53
assign (resid 53 and name HB2) (resid 58 and name HD1) 4.0 2.2 1.7 !#A 127  2.51e+04
assign (resid 53 and name HB1) (resid 58 and name HD1) 4.0 2.2 1.7 !#A 126  2.66e+04

!E54

!G55

!R56
assign (resid 56 and name HD1) (resid 58 and name HE1) 4.0 2.2 1.7 !#A 131  2.35e+04

!K57

!Y58

!C59

!E60

!H61

!D62

!F63
assign (resid 63 and name HB2) (resid 63 and name HE2) 4.0 2.2 1.0 !#A 102  2.76e+04
assign (resid 63 and name HA) (resid 63 and name HD1) 4.0 2.2 1.0 !#A 52  3.71e+04

!Q64

!M65

!L66

!F67

!A68

!P69

!C70

! EDITING HIST.: mannually edited: added back the ones that were removed
! in run11; removed the ones that were violated >0.45 A iN RUN 10. Mar29.
! EDITING HIST.: mannually edited some violated noes from run9 on Mar27
! Editing history: relaxed S and M NOEs on Fri Mar 24 14:29:13 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 16:49:24 EST 2000
! Editing history: added pseudoatom corrections for nonstereoassigned methylenes (0.7 A)
! on Wed Mar 22 15:52:33 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 14:27:45 EST 2000
! Editing history: relaxed non-HA,HN S and M NOEs on Tue Mar 21 16:07:56 EST 2000
! Editing history: added pseudoatom corrections for Me and i-Pr groups (0.4 & 1.5 A)
! on Thu Mar 16 14:58:57 EST 2000
!EDIT_HISTORY
! A(337)  pseudo_back.PCK.uniq   Thu Mar 16 11:47:13 2000


!M1

!A2

!N3

!A4

!L5

!A6

!S7
assign (resid 7 and name HB2) (resid 18 and name HB#) 4.0 2.2 2.1 !#A 872  1.61e+05

!A8
assign (resid 8 and name HB#) (resid 9 and name HG2#) 4.0 2.2 1.8 !#A 854  7.89e+04
assign (resid 8 and name HB#) (resid 17 and name HE2) 3.0 1.2 0.7 !#A 742  6.68e+04
assign (resid 8 and name HB#) (resid 17 and name HD2) 4.0 2.2 1.4 !#A 741  6.63e+04
assign (resid 8 and name HB#) (resid 23 and name HG2#) 4.0 2.2 1.8 !#A 738  7.19e+04
assign (resid 8 and name HB#) (resid 30 and name HB1) 4.0 2.2 1.4 !#A 897  -4.38e+04
assign (resid 8 and name HB#) (resid 30 and name HD2#) 4.0 2.2 2.9 !#A 736  1.55e+05

!T9
assign (resid 9 and name HG2#) (resid 10 and name HN) 4.0 2.2 1.4 !#A 730  7.38e+04
assign (resid 9 and name HG2#) (resid 14 and name HG2) 4.0 2.2 2.1 !#A 856  5.08e+04
assign (resid 9 and name HG2#) (resid 14 and name HG1) 4.0 2.2 2.1 !#A 855  5.32e+04
assign (resid 9 and name HN) (resid 17 and name HD2) 4.0 2.2 1.0 !#A 749  -4.53e+04

!C10
assign (resid 10 and name HB1) (resid 13 and name HB1) 4.0 2.2 1.0 !#A 857  -5.05e+04
assign (resid 10 and name HB2) (resid 13 and name HB1) 4.0 2.2 1.0 !#A 12  -8.97e+04
assign (resid 10 and name HB2) (resid 13 and name HN) 4.0 2.2 1.0 !#A 17  -7.84e+04
assign (resid 10 and name HB1) (resid 17 and name HE1) 4.0 2.2 1.0 !#A 870  4.11e+04
assign (resid 10 and name HB1) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 743  -5.95e+04
assign (resid 10 and name HB2) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 860  -5.26e+04
assign (resid 10 and name HB2) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 859  -4.55e+04

!E11
assign (resid 11 and name HB1) (resid 11 and name HG1) 3.0 1.2 1.7 !#A 27  -6.79e+04
assign (resid 11 and name HB2) (resid 11 and name HG1) 3.0 1.2 1.7 !#A 29  -7.45e+04
assign (resid 11 and name HB2) (resid 11 and name HG2) 3.0 1.2 1.7 !#A 28  -6.86e+04
assign (resid 11 and name HB1) (resid 11 and name HG2) 4.0 2.2 2.4 !#A 26  -5.28e+04
assign (resid 11 and name HB2) (resid 12 and name HG#) 4.0 2.2 2.4 !#A 44  1.32e+05
assign (resid 11 and name HB1) (resid 12 and name HG#) 4.0 2.2 2.4 !#A 861  4.92e+04

!R12
assign (resid 12 and name HN) (resid 12 and name HB2) 4.0 2.2 1.7 !#A 35  -4.51e+04
assign (resid 12 and name HB1) (resid 12 and name HD#) 4.0 2.2 2.4 !#A 48  -9.36e+04
assign (resid 12 and name HB2) (resid 12 and name HD#) 3.0 1.2 1.7 !#A 49  -9.36e+04
assign (resid 12 and name HD#) (resid 13 and name HB1) 4.0 2.2 1.7 !#A 866  -3.55e+04
assign (resid 12 and name HB1) (resid 13 and name HN) 4.0 2.2 1.7 !#A 34  -4.63e+04
assign (resid 12 and name HG#) (resid 13 and name HN) 4.0 2.2 1.7 !#A 731  4.79e+04
assign (resid 12 and name HB1) (resid 31 and name HD2) 4.0 2.2 1.7 !#A 312  -4.96e+04
assign (resid 12 and name HD#) (resid 32 and name HB#) 4.0 2.2 2.4 !#A 710  -1.22e+05
assign (resid 12 and name HB2) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 40  -3.89e+04
assign (resid 12 and name HB1) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 39  -5.99e+04
assign (resid 12 and name HD#) (resid 35 and name HB2) 4.0 2.2 1.7 !#A 345  -3.73e+04
assign (resid 12 and name HB1) (resid 35 and name HB2) 4.0 2.2 1.7 !#A 802  -4.97e+04
assign (resid 12 and name HD#) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 343  -1.05e+05
assign (resid 12 and name HD#) (resid 37 and name HG1#) 4.0 2.2 3.2 !#A 864  -4.86e+04
assign (resid 12 and name HD#) (resid 44 and name HB2) 4.0 2.2 1.7 !#A 865  -2.04e+05
assign (resid 12 and name HB2) (resid 44 and name HB1) 4.0 2.2 1.7 !#A 415  1.12e+05

!C13
assign (resid 13 and name HB2) (resid 35 and name HB1) 4.0 2.2 1.0 !#A 867  -1.09e+05
assign (resid 13 and name HB1) (resid 35 and name HB1) 4.0 2.2 1.0 !#A 746  -8.67e+04

!K14
assign (resid 14 and name HD2) (resid 14 and name HE2) 4.0 2.2 1.7 !#A 85  -5.07e+04
assign (resid 14 and name HG1) (resid 14 and name HE2) 4.0 2.2 2.4 !#A 86  -3.90e+04
assign (resid 14 and name HG2) (resid 14 and name HE2) 4.0 2.2 2.4 !#A 868  -3.97e+04
assign (resid 14 and name HG2) (resid 14 and name HE1) 4.0 2.2 2.4 !#A 83  -6.30e+04
assign (resid 14 and name HD1) (resid 14 and name HE1) 4.0 2.2 1.7 !#A 84  -4.19e+04
assign (resid 14 and name HE2) (resid 14 and name HD1) 4.0 2.2 1.7 !#A 80  4.13e+04
assign (resid 14 and name HE1) (resid 14 and name HD2) 3.0 1.2 1.0 !#A 82  6.62e+04
assign (resid 14 and name HG2) (resid 14 and name HD2) 3.0 1.2 1.0 !#A 73  1.07e+05
assign (resid 14 and name HG1) (resid 14 and name HD2) 4.0 2.2 1.7 !#A 74  5.93e+04
assign (resid 14 and name HG2) (resid 14 and name HD1) 2.5 0.7 0.9 !#A 76  1.48e+05
assign (resid 14 and name HD1) (resid 14 and name HG1) 4.0 2.2 1.7 !#A 70  4.42e+04
assign (resid 14 and name HB1) (resid 14 and name HD1) 4.0 2.2 1.0 !#A 81  3.76e+04
assign (resid 14 and name HG1) (resid 14 and name HB2) 4.0 2.2 1.7 !#A 62  5.57e+04
assign (resid 14 and name HG2) (resid 14 and name HB2) 3.0 1.2 1.0 !#A 63  7.52e+04

!G15

!G16

!F17
assign (resid 17 and name HD2) (resid 17 and name HB2) 4.0 2.2 1.0 !#A 92  -9.59e+04
assign (resid 17 and name HN) (resid 17 and name HE2) 4.0 2.2 1.0 !#A 871  3.85e+04
assign (resid 17 and name HD1) (resid 17 and name HB1) 3.0 1.2 0.3 !#A 91  -1.04e+05
assign (resid 17 and name HB1) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 720  -5.90e+04
assign (resid 17 and name HB2) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 719  -3.76e+04
assign (resid 17 and name HD1) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 748  -3.80e+04
assign (resid 17 and name HE2) (resid 30 and name HD2#) 4.0 2.2 2.5 !#A 899  4.18e+04

!A18
assign (resid 18 and name HB#) (resid 19 and name HB1) 4.0 2.2 2.1 !#A 98  1.09e+05
assign (resid 18 and name HB#) (resid 19 and name HG1) 4.0 2.2 2.1 !#A 97  4.92e+04
assign (resid 18 and name HB#) (resid 19 and name HD2) 4.0 2.2 2.1 !#A 99  1.61e+05
assign (resid 18 and name HB#) (resid 19 and name HD1) 2.5 0.7 1.3 !#A 100  2.55e+05

!P19
assign (resid 19 and name HG1) (resid 19 and name HB1) 2.5 0.7 1.6 !#A 112  -2.30e+05
assign (resid 19 and name HG1) (resid 19 and name HB2) 3.0 1.2 1.7 !#A 113  -3.20e+05
assign (resid 19 and name HD1) (resid 19 and name HA) 4.0 2.2 1.7 !#A 108  3.65e+04
assign (resid 19 and name HB1) (resid 19 and name HA) 2.5 0.7 0.9 !#A 107  2.64e+05
assign (resid 19 and name HG1) (resid 19 and name HA) 4.0 2.2 1.7 !#A 105  9.09e+04
assign (resid 19 and name HA) (resid 19 and name HB2) 3.0 1.2 1.0 !#A 116  -1.48e+05
assign (resid 19 and name HB1) (resid 19 and name HD1) 4.0 2.2 2.4 !#A 876  -2.79e+04
assign (resid 19 and name HB2) (resid 19 and name HD2) 3.0 1.2 1.7 !#A 877  -6.46e+04
assign (resid 19 and name HB2) (resid 19 and name HD1) 4.0 2.2 2.4 !#A 133  -5.94e+04
assign (resid 19 and name HB1) (resid 19 and name HD2) 4.0 2.2 2.4 !#A 130  -4.53e+04
assign (resid 19 and name HG1) (resid 19 and name HD2) 3.0 1.2 1.7 !#A 136  -8.74e+04
assign (resid 19 and name HG2) (resid 19 and name HD1) 2.5 0.7 1.6 !#A 135  -1.16e+05
assign (resid 19 and name HA) (resid 19 and name HG2) 4.0 2.2 1.7 !#A 448  6.35e+04
assign (resid 19 and name HD2) (resid 19 and name HG2) 3.0 1.2 1.7 !#A 126  9.86e+04
assign (resid 19 and name HB2) (resid 19 and name HG2) 2.5 0.7 1.6 !#A 123  2.32e+05
assign (resid 19 and name HB2) (resid 20 and name HN) 4.0 2.2 1.7 !#A 753  -6.06e+04
assign (resid 19 and name HB2) (resid 22 and name HB#) 4.0 2.2 2.4 !#A 880  -1.13e+05
assign (resid 19 and name HG1) (resid 22 and name HB#) 4.0 2.2 2.4 !#A 875  5.40e+04

!A20

!E21
assign (resid 21 and name HB2) (resid 21 and name HG1) 4.0 2.2 2.4 !#A 156  -5.54e+04
assign (resid 21 and name HG1) (resid 21 and name HB1) 3.0 1.2 1.7 !#A 146  -1.16e+05
assign (resid 21 and name HG2) (resid 21 and name HB2) 3.0 1.2 1.7 !#A 152  -1.66e+05
assign (resid 21 and name HB1) (resid 22 and name HG2) 4.0 2.2 2.4 !#A 881  4.94e+04
assign (resid 21 and name HB2) (resid 33 and name HG2) 4.0 2.2 2.4 !#A 148  -8.35e+04
assign (resid 21 and name HG2) (resid 33 and name HG2) 4.0 2.2 2.4 !#A 907  -7.54e+04

!K22
assign (resid 22 and name HD#) (resid 22 and name HB#) 3.0 1.2 1.0 !#A 163  -1.85e+05
assign (resid 22 and name HB#) (resid 33 and name HG1) 4.0 2.2 2.4 !#A 879  -4.32e+04
assign (resid 22 and name HB#) (resid 33 and name HG2) 4.0 2.2 2.4 !#A 908  -4.85e+04

!I23
assign (resid 23 and name HG12) (resid 23 and name HG2#) 4.0 2.2 2.1 !#A 196  5.86e+04
assign (resid 23 and name HG11) (resid 23 and name HG2#) 3.0 1.2 1.4 !#A 193  7.88e+04
assign (resid 23 and name HG11) (resid 23 and name HB) 4.0 2.2 1.7 !#A 179  -4.43e+04
assign (resid 23 and name HG12) (resid 23 and name HB) 3.0 1.2 1.0 !#A 182  -1.04e+05
assign (resid 23 and name HG2#) (resid 24 and name HN) 3.0 1.2 0.7 !#A 202  8.34e+04
assign (resid 23 and name HG2#) (resid 24 and name HB) 4.0 2.2 1.4 !#A 199  7.04e+04
assign (resid 23 and name HG2#) (resid 24 and name HG2#) 4.0 2.2 1.8 !#A 195  6.18e+04
assign (resid 23 and name HG2#) (resid 25 and name HB2) 4.0 2.2 1.4 !#A 754  5.22e+04
assign (resid 23 and name HD1#) (resid 30 and name HB2) 4.0 2.2 1.4 !#A 886  4.05e+04
assign (resid 23 and name HD1#) (resid 30 and name HD2#) 4.0 2.2 2.9 !#A 757  6.61e+04
assign (resid 23 and name HD1#) (resid 30 and name HB1) 4.0 2.2 1.4 !#A 779  -7.35e+04
assign (resid 23 and name HG2#) (resid 30 and name HB1) 4.0 2.2 1.4 !#A 734  9.05e+04
assign (resid 23 and name HG2#) (resid 30 and name HD1#) 2.5 0.7 2.1 !#A 977  1.44e+05
assign (resid 23 and name HD1#) (resid 30 and name HD1#) 4.0 2.2 2.9 !#A 898  1.58e+05
assign (resid 23 and name HG2#) (resid 30 and name HD2#) 4.0 2.2 2.9 !#A 785  8.72e+04
assign (resid 23 and name HG12) (resid 30 and name HB1) 4.0 2.2 1.7 !#A 733  5.83e+04
assign (resid 23 and name HG2#) (resid 31 and name HN) 4.0 2.2 1.4 !#A 979  5.26e+04

!V24
assign (resid 24 and name HN) (resid 24 and name HG1#) 4.0 2.2 1.4 !#A 215  4.68e+04
assign (resid 24 and name HN) (resid 24 and name HG2#) 3.0 1.2 0.7 !#A 224  1.55e+05
assign (resid 24 and name HB) (resid 26 and name HB1) 4.0 2.2 1.0 !#A 895  4.70e+04
assign (resid 24 and name HG1#) (resid 26 and name HB1) 4.0 2.2 1.4 !#A 220  5.48e+04
assign (resid 24 and name HB) (resid 31 and name HB2) 3.0 1.2 0.3 !#A 210  -7.28e+04
assign (resid 24 and name HG1#) (resid 31 and name HB1) 4.0 2.2 1.4 !#A 219  3.61e+04
assign (resid 24 and name HG1#) (resid 31 and name HD1) 4.0 2.2 1.4 !#A 758  5.37e+04
assign (resid 24 and name HG2#) (resid 31 and name HB2) 4.0 2.2 1.4 !#A 761  5.75e+04
assign (resid 24 and name HG2#) (resid 31 and name HB1) 4.0 2.2 1.4 !#A 890  8.41e+04
assign (resid 24 and name HG2#) (resid 33 and name HG1) 4.0 2.2 2.1 !#A 759  9.71e+04
assign (resid 24 and name HG2#) (resid 33 and name HB#) 4.0 2.2 2.1 !#A 888  9.71e+04
assign (resid 24 and name HG2#) (resid 33 and name HG2) 4.0 2.2 2.1 !#A 889  6.36e+04
assign (resid 24 and name HG1#) (resid 36 and name HE1) 4.0 2.2 1.4 !#A 887  5.37e+04
assign (resid 24 and name HG2#) (resid 36 and name HD1) 4.0 2.2 1.4 !#A 762  4.35e+04
assign (resid 24 and name HG1#) (resid 36 and name HD1) 4.0 2.2 1.4 !#A 732  4.39e+04

!N25
assign (resid 25 and name HD21) (resid 25 and name HB1) 4.0 2.2 1.0 !#A 894  -3.65e+04
assign (resid 25 and name HD22) (resid 25 and name HB2) 4.0 2.2 1.0 !#A 763  -5.02e+04
assign (resid 25 and name HB1) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 892  -3.75e+04
assign (resid 25 and name HB2) (resid 30 and name HD1#) 3.0 1.2 1.8 !#A 723  9.13e+04
assign (resid 25 and name HD21) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 782  4.56e+04
assign (resid 25 and name HB2) (resid 31 and name HN) 4.0 2.2 1.0 !#A 893  -4.46e+04

!S26
assign (resid 26 and name HB1) (resid 31 and name HE1) 3.0 1.2 0.3 !#A 769  6.51e+04
assign (resid 26 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 770  6.48e+04

!N27
assign (resid 27 and name HD21) (resid 27 and name HB1) 4.0 2.2 1.7 !#A 772  -4.61e+04
assign (resid 27 and name HB1) (resid 53 and name HN) 4.0 2.2 1.7 !#A 244  -3.86e+04
assign (resid 27 and name HB1) (resid 53 and name HB2) 4.0 2.2 2.4 !#A 825  -6.43e+04

!G28

!E29
assign (resid 29 and name HG1) (resid 29 and name HB1) 3.0 1.2 1.0 !#A 248  -1.05e+05
assign (resid 29 and name HB1) (resid 29 and name HG2) 3.0 1.2 1.0 !#A 256  -6.91e+04
assign (resid 29 and name HB2) (resid 29 and name HG1) 2.5 0.7 0.9 !#A 260  -1.13e+05
assign (resid 29 and name HB2) (resid 29 and name HG2) 3.0 1.2 1.0 !#A 261  -2.41e+05
assign (resid 29 and name HN) (resid 29 and name HB1) 4.0 2.2 1.0 !#A 254  -4.22e+04
assign (resid 29 and name HB1) (resid 30 and name HB2) 4.0 2.2 1.0 !#A 896  -5.02e+04
assign (resid 29 and name HN) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 288  4.64e+04
assign (resid 29 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 789  7.59e+04
assign (resid 29 and name HB1) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 776  -5.01e+04

!L30
assign (resid 30 and name HG) (resid 30 and name HB2) 3.0 1.2 0.3 !#A 267  -8.58e+04
assign (resid 30 and name HG) (resid 30 and name HB1) 4.0 2.2 1.0 !#A 269  -5.50e+04
assign (resid 30 and name HD1#) (resid 30 and name HB1) 3.0 1.2 1.8 !#A 272  -8.49e+04
assign (resid 30 and name HB2) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 285  5.20e+04
assign (resid 30 and name HD2#) (resid 30 and name HB1) 2.5 0.7 1.7 !#A 270  -1.36e+05
assign (resid 30 and name HD2#) (resid 30 and name HB2) 3.0 1.2 1.8 !#A 265  -9.75e+04
assign (resid 30 and name HN) (resid 30 and name HG) 4.0 2.2 1.0 !#A 277  6.70e+04
assign (resid 30 and name HN) (resid 30 and name HD1#) 3.0 1.2 1.8 !#A 286  6.38e+04
assign (resid 30 and name HD1#) (resid 31 and name HN) 4.0 2.2 2.5 !#A 287  7.57e+04

!Y31
assign (resid 31 and name HB1) (resid 31 and name HE2) 4.0 2.2 1.0 !#A 790  5.49e+04
assign (resid 31 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 906  4.18e+04
assign (resid 31 and name HB2) (resid 31 and name HD1) 3.0 1.2 0.3 !#A 795  -6.77e+04
assign (resid 31 and name HB1) (resid 31 and name HD2) 3.0 1.2 0.3 !#A 794  -7.27e+04
assign (resid 31 and name HD2) (resid 35 and name HB1) 4.0 2.2 1.0 !#A 914  -4.47e+04
assign (resid 31 and name HB2) (resid 35 and name HN) 4.0 2.2 1.0 !#A 901  -4.18e+04
assign (resid 31 and name HB1) (resid 36 and name HD1) 4.0 2.2 1.0 !#A 917  -5.36e+04
assign (resid 31 and name HB1) (resid 36 and name HB1) 4.0 2.2 1.0 !#A 302  -5.69e+04
assign (resid 31 and name HD2) (resid 37 and name HN) 4.0 2.2 1.0 !#A 308  -8.23e+04
assign (resid 31 and name HE2) (resid 37 and name HN) 4.0 2.2 1.0 !#A 792  1.05e+05
assign (resid 31 and name HE2) (resid 52 and name HG2) 4.0 2.2 1.7 !#A 905  6.32e+04
assign (resid 31 and name HE2) (resid 57 and name HB2) 4.0 2.2 1.0 !#A 786  5.21e+04

!H32
assign (resid 32 and name HB#) (resid 34 and name HG#) 4.0 2.2 2.4 !#A 911  -4.53e+04
assign (resid 32 and name HB#) (resid 35 and name HB2) 4.0 2.2 1.7 !#A 319  -4.57e+04
assign (resid 32 and name HB#) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 342  -6.83e+04

!E33

!Q34
assign (resid 34 and name HE21) (resid 34 and name HG#) 2.5 0.7 0.9 !#A 799  -1.09e+05
assign (resid 34 and name HE22) (resid 34 and name HG#) 4.0 2.2 1.7 !#A 798  -4.34e+04
assign (resid 34 and name HN) (resid 34 and name HB2) 4.0 2.2 1.7 !#A 335  5.46e+04
assign (resid 34 and name HN) (resid 34 and name HG#) 4.0 2.2 1.7 !#A 338  -9.49e+04
assign (resid 34 and name HG#) (resid 46 and name HB2) 4.0 2.2 1.7 !#A 438  -7.81e+04
assign (resid 34 and name HG#) (resid 46 and name HD1) 4.0 2.2 2.4 !#A 910  -8.53e+04
assign (resid 34 and name HG#) (resid 46 and name HB1) 3.0 1.2 1.0 !#A 912  -2.30e+05
assign (resid 34 and name HN) (resid 46 and name HA) 4.0 2.2 1.0 !#A 822  3.96e+04
assign (resid 34 and name HG#) (resid 46 and name HA) 4.0 2.2 1.7 !#A 932  4.04e+04
assign (resid 34 and name HG#) (resid 46 and name HG1) 3.0 1.2 1.7 !#A 934  9.64e+04
assign (resid 34 and name HG#) (resid 46 and name HG2) 4.0 2.2 2.4 !#A 442  4.67e+04

!C35
assign (resid 35 and name HN) (resid 36 and name HB1) 4.0 2.2 1.0 !#A 351  -4.70e+04

!F36
assign (resid 36 and name HD2) (resid 36 and name HB1) 4.0 2.2 1.0 !#A 915  -5.29e+04
assign (resid 36 and name HD2) (resid 36 and name HB2) 3.0 1.2 0.3 !#A 354  -6.61e+04
assign (resid 36 and name HN) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 921  8.87e+04
assign (resid 36 and name HD2) (resid 52 and name HB1) 4.0 2.2 1.7 !#A 916  -4.63e+04
assign (resid 36 and name HB1) (resid 59 and name HB1) 4.0 2.2 1.0 !#A 356  -4.18e+04

!V37
assign (resid 37 and name HB) (resid 38 and name HB2) 4.0 2.2 1.0 !#A 360  -4.02e+04
assign (resid 37 and name HG1#) (resid 42 and name HB1) 4.0 2.2 3.2 !#A 810  5.96e+04
assign (resid 37 and name HG2#) (resid 44 and name HG#) 4.0 2.2 3.2 !#A 725  1.13e+05
assign (resid 37 and name HG2#) (resid 44 and name HB1) 4.0 2.2 2.5 !#A 849  4.68e+04
assign (resid 37 and name HG2#) (resid 44 and name HN) 4.0 2.2 2.5 !#A 368  7.17e+04

!C38
assign (resid 38 and name HB2) (resid 39 and name HN) 4.0 2.2 1.0 !#A 373  -4.70e+04
assign (resid 38 and name HB1) (resid 41 and name HB1) 4.0 2.2 1.7 !#A 922  -1.05e+05
assign (resid 38 and name HB1) (resid 41 and name HN) 4.0 2.2 1.0 !#A 811  -4.60e+04
assign (resid 38 and name HB1) (resid 43 and name HB#) 4.0 2.2 1.7 !#A 928  -4.55e+04
assign (resid 38 and name HB2) (resid 43 and name HB#) 4.0 2.2 1.7 !#A 812  -3.84e+04
assign (resid 38 and name HB2) (resid 43 and name HN) 4.0 2.2 1.0 !#A 56  -5.92e+04
assign (resid 38 and name HB2) (resid 58 and name HD2) 4.0 2.2 1.0 !#A 923  -1.26e+05
assign (resid 38 and name HB2) (resid 59 and name HB2) 4.0 2.2 1.0 !#A 594  -4.59e+04

!A39
assign (resid 39 and name HB#) (resid 40 and name HB#) 4.0 2.2 2.1 !#A 813  5.82e+04
assign (resid 39 and name HB#) (resid 40 and name HN) 3.0 1.2 0.7 !#A 926  8.54e+04
assign (resid 39 and name HB#) (resid 56 and name HD1) 4.0 2.2 2.1 !#A 530  -3.87e+04
assign (resid 39 and name HB#) (resid 56 and name HB1) 2.5 0.7 1.3 !#A 382  1.41e+05
assign (resid 39 and name HB#) (resid 56 and name HG1) 4.0 2.2 2.1 !#A 381  5.87e+04
assign (resid 39 and name HB#) (resid 56 and name HD2) 4.0 2.2 2.1 !#A 379  5.65e+04
assign (resid 39 and name HB#) (resid 56 and name HB2) 4.0 2.2 2.1 !#A 380  5.40e+04
assign (resid 39 and name HB#) (resid 57 and name HN) 3.0 1.2 0.7 !#A 377  8.57e+04
assign (resid 39 and name HB#) (resid 58 and name HD2) 4.0 2.2 1.4 !#A 925  4.10e+04
assign (resid 39 and name HB#) (resid 58 and name HE2) 4.0 2.2 1.4 !#A 953  4.99e+04

!Q40
assign (resid 40 and name HN) (resid 40 and name HB#) 3.0 1.2 1.0 !#A 384  -7.52e+04
assign (resid 40 and name HE22) (resid 40 and name HG1) 4.0 2.2 1.7 !#A 816  -3.89e+04
assign (resid 40 and name HG2) (resid 58 and name HD2) 4.0 2.2 1.7 !#A 837  -4.41e+04
assign (resid 40 and name HE21) (resid 58 and name HD2) 3.0 1.2 0.3 !#A 838  -6.95e+04
assign (resid 40 and name HB#) (resid 58 and name HE2) 4.0 2.2 1.7 !#A 842  8.02e+04
assign (resid 40 and name HG2) (resid 62 and name HB1) 4.0 2.2 1.7 !#A 625  -4.36e+04
assign (resid 40 and name HG1) (resid 62 and name HB1) 4.0 2.2 1.7 !#A 624  -5.41e+04
assign (resid 40 and name HB#) (resid 62 and name HB1) 4.0 2.2 1.7 !#A 960  -4.86e+04

!C41
assign (resid 41 and name HB1) (resid 61 and name HB1) 4.0 2.2 2.4 !#A 959  8.55e+04

!F42

!Q43
assign (resid 43 and name HB#) (resid 61 and name HB2) 4.0 2.2 2.4 !#A 726  4.02e+04

!Q44
assign (resid 44 and name HE21) (resid 44 and name HG#) 4.0 2.2 1.7 !#A 929  -4.31e+04

!F45
assign (resid 45 and name HD2) (resid 45 and name HB1) 4.0 2.2 1.0 !#A 931  -4.66e+04
assign (resid 45 and name HD1) (resid 45 and name HB2) 3.0 1.2 0.3 !#A 930  -6.54e+04
assign (resid 45 and name HB1) (resid 59 and name HB2) 4.0 2.2 1.0 !#A 821  -5.04e+04

!P46
assign (resid 46 and name HD2) (resid 46 and name HB2) 4.0 2.2 1.7 !#A 441  -4.43e+04
assign (resid 46 and name HB1) (resid 46 and name HA) 2.5 0.7 0.2 !#A 434  2.91e+05
assign (resid 46 and name HB2) (resid 46 and name HA) 2.5 0.7 0.2 !#A 433  2.03e+05
assign (resid 46 and name HG1) (resid 46 and name HD1) 3.0 1.2 1.7 !#A 453  -1.00e+05
assign (resid 46 and name HG2) (resid 46 and name HD1) 3.0 1.2 1.7 !#A 452  -1.22e+05
assign (resid 46 and name HG1) (resid 46 and name HD2) 3.0 1.2 1.7 !#A 455  -8.47e+04
assign (resid 46 and name HG2) (resid 46 and name HD2) 2.5 0.7 1.6 !#A 451  -1.16e+05
assign (resid 46 and name HB2) (resid 47 and name HB2) 4.0 2.2 1.7 !#A 933  -1.18e+05

!E47

!G48

!L49
assign (resid 49 and name HB#) (resid 49 and name HD2#) 2.5 0.7 2.4 !#A 467  1.22e+05
assign (resid 49 and name HB#) (resid 49 and name HD1#) 3.0 1.2 2.5 !#A 468  1.02e+05
assign (resid 49 and name HD1#) (resid 50 and name HN) 4.0 2.2 2.5 !#A 466  4.52e+04
assign (resid 49 and name HD2#) (resid 50 and name HN) 4.0 2.2 2.5 !#A 824  4.11e+04

!F50
assign (resid 50 and name HB1) (resid 50 and name HD2) 3.0 1.2 1.0 !#A 937  -6.92e+04
assign (resid 50 and name HD2) (resid 50 and name HB2) 3.0 1.2 1.0 !#A 472  -8.29e+04
assign (resid 50 and name HB2) (resid 51 and name HB2) 4.0 2.2 1.7 !#A 938  -3.67e+04
assign (resid 50 and name HE1) (resid 52 and name HB1) 4.0 2.2 1.7 !#A 942  -6.31e+04
assign (resid 50 and name HE1) (resid 52 and name HG1) 4.0 2.2 1.7 !#A 943  -3.56e+04
assign (resid 50 and name HE2) (resid 57 and name HE2) 4.0 2.2 1.7 !#A 833  -4.43e+04
assign (resid 50 and name HE2) (resid 57 and name HE1) 4.0 2.2 1.7 !#A 832  -4.94e+04

!Y51
assign (resid 51 and name HD2) (resid 51 and name HB2) 3.0 1.2 0.3 !#A 940  -6.24e+04
assign (resid 51 and name HD1) (resid 51 and name HB1) 4.0 2.2 1.0 !#A 939  -5.00e+04
assign (resid 51 and name HE1) (resid 53 and name HD2) 4.0 2.2 1.0 !#A 956  9.01e+04
assign (resid 51 and name HD1) (resid 63 and name HD2) 4.0 2.2 1.0 !#A 965  -9.29e+04
assign (resid 51 and name HB2) (resid 63 and name HN) 4.0 2.2 1.0 !#A 941  -6.90e+04

!E52
assign (resid 52 and name HB1) (resid 52 and name HG2) 2.5 0.7 1.6 !#A 485  -2.08e+05
assign (resid 52 and name HB1) (resid 52 and name HG1) 3.0 1.2 1.7 !#A 486  -1.46e+05

!F53
assign (resid 53 and name HD1) (resid 53 and name HB1) 3.0 1.2 1.0 !#A 944  -6.53e+04
assign (resid 53 and name HD2) (resid 53 and name HB2) 4.0 2.2 1.7 !#A 945  -4.47e+04
assign (resid 53 and name HN) (resid 53 and name HB2) 3.0 1.2 1.0 !#A 491  -8.77e+04
assign (resid 53 and name HB1) (resid 58 and name HE1) 4.0 2.2 1.7 !#A 844  8.54e+04

!E54
assign (resid 54 and name HB2) (resid 54 and name HG2) 3.0 1.2 1.7 !#A 500  -1.79e+05
assign (resid 54 and name HG1) (resid 54 and name HB1) 3.0 1.2 1.7 !#A 495  1.13e+05
assign (resid 54 and name HB2) (resid 54 and name HG1) 3.0 1.2 1.7 !#A 499  -8.39e+04

!G55

!R56
assign (resid 56 and name HD1) (resid 56 and name HB1) 4.0 2.2 2.4 !#A 508  -3.74e+04
assign (resid 56 and name HG2) (resid 56 and name HD2) 4.0 2.2 2.4 !#A 527  -5.82e+04
assign (resid 56 and name HB2) (resid 56 and name HD2) 4.0 2.2 2.4 !#A 831  -5.87e+04
assign (resid 56 and name HG2) (resid 56 and name HD1) 4.0 2.2 2.4 !#A 526  -5.04e+04
assign (resid 56 and name HG1) (resid 56 and name HD1) 3.0 1.2 1.7 !#A 525  -8.22e+04
assign (resid 56 and name HB1) (resid 56 and name HG2) 3.0 1.2 1.7 !#A 515  9.69e+04
assign (resid 56 and name HG2) (resid 56 and name HB2) 3.0 1.2 1.7 !#A 506  -6.45e+04
assign (resid 56 and name HB2) (resid 56 and name HG1) 2.5 0.7 1.6 !#A 519  1.46e+05
assign (resid 56 and name HG1) (resid 56 and name HB1) 3.0 1.2 1.7 !#A 504  -8.65e+04
assign (resid 56 and name HG1) (resid 56 and name HD2) 4.0 2.2 2.4 !#A 528  -6.12e+04
assign (resid 56 and name HN) (resid 56 and name HB1) 4.0 2.2 1.7 !#A 510  -4.77e+04
assign (resid 56 and name HB2) (resid 57 and name HN) 4.0 2.2 1.7 !#A 511  -4.46e+04
assign (resid 56 and name HG1) (resid 57 and name HN) 4.0 2.2 1.7 !#A 829  4.07e+04
assign (resid 56 and name HB2) (resid 58 and name HE1) 4.0 2.2 1.7 !#A 828  -7.93e+04
assign (resid 56 and name HB1) (resid 58 and name HE1) 4.0 2.2 1.7 !#A 827  -4.82e+04

!K57
assign (resid 57 and name HD1) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 545  -4.20e+04
assign (resid 57 and name HD2) (resid 57 and name HB1) 3.0 1.2 0.3 !#A 543  -1.38e+05
assign (resid 57 and name HD1) (resid 57 and name HB2) 4.0 2.2 1.0 !#A 544  -5.18e+04
assign (resid 57 and name HG1) (resid 57 and name HE2) 4.0 2.2 2.4 !#A 577  -3.69e+04
assign (resid 57 and name HG1) (resid 57 and name HE1) 4.0 2.2 2.4 !#A 576  -4.04e+04
assign (resid 57 and name HB1) (resid 57 and name HG1) 3.0 1.2 1.0 !#A 556  1.06e+05
assign (resid 57 and name HB2) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 554  4.42e+04
assign (resid 57 and name HB2) (resid 57 and name HG2) 3.0 1.2 1.0 !#A 557  1.67e+05
assign (resid 57 and name HB1) (resid 57 and name HG2) 3.0 1.2 1.0 !#A 552  7.24e+04
assign (resid 57 and name HG1) (resid 57 and name HD1) 4.0 2.2 1.7 !#A 561  4.78e+04
assign (resid 57 and name HD1) (resid 57 and name HE2) 3.0 1.2 1.0 !#A 578  -7.39e+04
assign (resid 57 and name HE2) (resid 57 and name HD2) 4.0 2.2 1.7 !#A 566  5.34e+04
assign (resid 57 and name HB2) (resid 57 and name HD2) 4.0 2.2 1.0 !#A 564  5.07e+04
assign (resid 57 and name HE1) (resid 57 and name HD2) 3.0 1.2 1.0 !#A 569  6.55e+04
assign (resid 57 and name HD2) (resid 57 and name HG1) 3.0 1.2 1.0 !#A 555  1.06e+05
assign (resid 57 and name HD2) (resid 57 and name HG2) 3.0 1.2 1.0 !#A 553  7.94e+04
assign (resid 57 and name HD1) (resid 57 and name HE1) 3.0 1.2 1.0 !#A 579  -6.28e+04
assign (resid 57 and name HG2) (resid 57 and name HD1) 4.0 2.2 1.7 !#A 565  4.01e+04

!Y58
assign (resid 58 and name HN) (resid 58 and name HB2) 4.0 2.2 1.0 !#A 586  -6.11e+04
assign (resid 58 and name HB2) (resid 58 and name HD1) 4.0 2.2 1.0 !#A 948  -4.54e+04
assign (resid 58 and name HB1) (resid 58 and name HD2) 4.0 2.2 1.0 !#A 949  -5.93e+04
assign (resid 58 and name HD2) (resid 62 and name HB1) 4.0 2.2 1.0 !#A 632  -4.20e+04
assign (resid 58 and name HD2) (resid 62 and name HB2) 4.0 2.2 1.0 !#A 633  -5.14e+04
assign (resid 58 and name HB2) (resid 62 and name HB2) 4.0 2.2 1.0 !#A 626  -4.59e+04
assign (resid 58 and name HB2) (resid 62 and name HB1) 4.0 2.2 1.0 !#A 627  -5.53e+04
assign (resid 58 and name HB1) (resid 62 and name HB2) 3.0 1.2 0.3 !#A 834  -6.46e+04
assign (resid 58 and name HB2) (resid 63 and name HB2) 4.0 2.2 1.0 !#A 962  -4.18e+04
assign (resid 58 and name HE1) (resid 63 and name HE2) 4.0 2.2 1.0 !#A 840  1.71e+05
assign (resid 58 and name HB1) (resid 63 and name HB1) 4.0 2.2 1.0 !#A 846  -4.67e+04

!C59
assign (resid 59 and name HB2) (resid 60 and name HN) 4.0 2.2 1.0 !#A 598  -4.79e+04
assign (resid 59 and name HB1) (resid 61 and name HB1) 4.0 2.2 1.7 !#A 958  -6.31e+04

!E60
assign (resid 60 and name HB1) (resid 64 and name HG2) 4.0 2.2 2.4 !#A 615  -2.06e+05
assign (resid 60 and name HB2) (resid 64 and name HB1) 4.0 2.2 2.4 !#A 613  -4.64e+04
assign (resid 60 and name HB1) (resid 64 and name HB1) 4.0 2.2 2.4 !#A 616  -3.91e+05
assign (resid 60 and name HG2) (resid 64 and name HG2) 4.0 2.2 2.4 !#A 655  -7.66e+04
assign (resid 60 and name HG1) (resid 64 and name HG1) 4.0 2.2 2.4 !#A 612  -4.13e+04
assign (resid 60 and name HG1) (resid 64 and name HB1) 3.0 1.2 1.7 !#A 611  -6.37e+04
assign (resid 60 and name HG2) (resid 64 and name HB1) 2.5 0.7 1.6 !#A 610  -2.67e+05

!H61

!D62
assign (resid 62 and name HB2) (resid 63 and name HB2) 4.0 2.2 1.0 !#A 961  -6.36e+04
assign (resid 62 and name HB2) (resid 66 and name HD1#) 4.0 2.2 2.5 !#A 972  3.79e+04

!F63
assign (resid 63 and name HB1) (resid 63 and name HD1) 4.0 2.2 1.0 !#A 963  -5.82e+04
assign (resid 63 and name HB2) (resid 63 and name HD2) 4.0 2.2 1.0 !#A 964  -5.07e+04
assign (resid 63 and name HB2) (resid 64 and name HN) 4.0 2.2 1.0 !#A 639  -5.59e+04

!Q64
assign (resid 64 and name HB1) (resid 64 and name HG2) 3.0 1.2 1.7 !#A 657  -8.74e+04
assign (resid 64 and name HB2) (resid 64 and name HG1) 3.0 1.2 1.7 !#A 658  -1.43e+05
assign (resid 64 and name HB1) (resid 64 and name HG1) 3.0 1.2 1.7 !#A 653  -6.50e+04
assign (resid 64 and name HG2) (resid 64 and name HB2) 3.0 1.2 1.7 !#A 647  2.23e+05
assign (resid 64 and name HG1) (resid 65 and name HG2) 4.0 2.2 2.4 !#A 969  -9.59e+04
assign (resid 64 and name HG2) (resid 65 and name HG2) 4.0 2.2 2.4 !#A 654  -1.15e+05
assign (resid 64 and name HG1) (resid 65 and name HG1) 4.0 2.2 2.4 !#A 659  -1.82e+05

!M65
assign (resid 65 and name HN) (resid 66 and name HG) 4.0 2.2 1.0 !#A 971  4.84e+04
assign (resid 65 and name HB#) (resid 66 and name HN) 3.0 1.2 1.0 !#A 967  -1.06e+05

!L66
assign (resid 66 and name HD2#) (resid 66 and name HB1) 4.0 2.2 2.5 !#A 673  -5.96e+04
assign (resid 66 and name HB1) (resid 66 and name HD1#) 2.5 0.7 1.7 !#A 683  3.50e+05
assign (resid 66 and name HD1#) (resid 66 and name HB2) 3.0 1.2 1.8 !#A 672  -7.15e+04
assign (resid 66 and name HB2) (resid 66 and name HG) 4.0 2.2 1.0 !#A 970  4.60e+04
assign (resid 66 and name HN) (resid 66 and name HB1) 4.0 2.2 1.0 !#A 675  -4.96e+04

!F67
assign (resid 67 and name HD2) (resid 67 and name HB2) 4.0 2.2 1.0 !#A 974  -3.63e+04
assign (resid 67 and name HB1) (resid 69 and name HG#) 4.0 2.2 1.7 !#A 973  -7.64e+04

!A68
assign (resid 68 and name HB#) (resid 69 and name HD1) 4.0 2.2 2.1 !#A 708  -3.98e+04

!P69
assign (resid 69 and name HB2) (resid 69 and name HA) 3.0 1.2 1.0 !#A 692  9.32e+04
assign (resid 69 and name HB1) (resid 69 and name HA) 4.0 2.2 1.7 !#A 693  4.52e+04

!C70

! H-bond restraints

! Sheet1

assign (resid 17 and name N) (resid 8 and name O) 2.8 0.4 0.5
assign (resid 17 and name HN) (resid 8 and name O) 1.8 0.3 0.5

assign (resid 10 and name N) (resid 15 and name O) 2.8 0.4 0.5
assign (resid 10 and name HN) (resid 15 and name O) 1.8 0.3 0.5

assign (resid 14 and name N) (resid 10 and name O) 2.8 0.4 0.5
assign (resid 14 and name HN) (resid 10 and name O) 1.8 0.3 0.5

! between sheets 1 & 2

assign (resid 11 and name N) (resid 30 and name O) 2.8 0.4 0.5
assign (resid 11 and name HN) (resid 30 and name O) 1.8 0.3 0.5

! Sheet2

assign (resid 24 and name N) (resid 31 and name O) 2.8 0.4 0.5
assign (resid 24 and name HN) (resid 31 and name O) 1.8 0.3 0.5

assign (resid 31 and name N) (resid 24 and name O) 2.8 0.4 0.5
assign (resid 31 and name HN) (resid 24 and name O) 1.8 0.3 0.5

assign (resid 26 and name N) (resid 29 and name O) 2.8 0.4 0.5
assign (resid 26 and name HN) (resid 29 and name O) 1.8 0.3 0.5

assign (resid 29 and name N) (resid 26 and name O) 2.8 0.4 0.5
assign (resid 29 and name HN) (resid 26 and name O) 1.8 0.3 0.5

! Sheet3

assign (resid 38 and name N) (resid 43 and name O) 2.8 0.4 0.5
assign (resid 38 and name HN) (resid 43 and name O) 1.8 0.3 0.5

assign (resid 45 and name N) (resid 36 and name O) 2.8 0.4 0.5
assign (resid 45 and name HN) (resid 36 and name O) 1.8 0.3 0.5

assign (resid 42 and name N) (resid 38 and name O) 2.8 0.4 0.5
assign (resid 42 and name HN) (resid 38 and name O) 1.8 0.3 0.5

! Sheet4

assign (resid 51 and name N) (resid 58 and name O) 2.8 0.4 0.5
assign (resid 51 and name HN) (resid 58 and name O) 1.8 0.3 0.5

assign (resid 58 and name N) (resid 51 and name O) 2.8 0.4 0.5
assign (resid 58 and name HN) (resid 51 and name O) 1.8 0.3 0.5

assign (resid 53 and name N) (resid 56 and name O) 2.8 0.4 0.5
assign (resid 53 and name HN) (resid 56 and name O) 1.8 0.3 0.5

assign (resid 56 and name N) (resid 53 and name O) 2.8 0.4 0.5
assign (resid 56 and name HN) (resid 53 and name O) 1.8 0.3 0.5

! Helix

assign (resid 67 and name N) (resid 63 and name O) 2.8 0.4 0.5
assign (resid 67 and name HN) (resid 63 and name O) 1.8 0.3 0.5

assign (resid 66 and name N) (resid 62 and name O) 2.8 0.4 0.5
assign (resid 66 and name HN) (resid 62 and name O) 1.8 0.3 0.5

assign (resid 65 and name N) (resid 61 and name O) 2.8 0.4 0.5
assign (resid 65 and name HN) (resid 61 and name O) 1.8 0.3 0.5

assign (resid 64 and name N) (resid 60 and name O) 2.8 0.4 0.5
assign (resid 64 and name HN) (resid 60 and name O) 1.8 0.3 0.5


! dihedral angle restraints.
! when performing calculations, distance retraints (above)
! and angle restraints (below) should be kept in separate
! files, they are here in a single file for PDB deposition.

! phi angle constraints obtained from corresponding
! coupling constants in the course of calculations.

  !!    m1
  !!    a2
  !!    n3
  !!    a4
  !!    l5
  !!    a6
  !!    s7
  !!    a8
  !!    t9
 assign (resid  8  and name c ) (resid  9  and name n )
        (resid  9  and name ca) (resid  9  and name c )   1.0  -120 20 2
  !!    c10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid  10  and name ca) (resid  10  and name c )   1.0  -75 40 2
  !!    e11
 assign (resid  10  and name c ) (resid  11  and name n )
        (resid  11  and name ca) (resid  11  and name c )   1.0  -62 40 2
  !!    r12
  !!    c13
 assign (resid  12  and name c ) (resid  13  and name n )
        (resid  13  and name ca) (resid  13  and name c )   1.0  -120 40 2
  !!    k14
 assign (resid  13  and name c ) (resid  14  and name n )
        (resid  14  and name ca) (resid  14  and name c )   1.0  60 20 2
  !!    g15
  !!    g16
  !!    f17
 assign (resid  16  and name c ) (resid  17  and name n )
        (resid  17  and name ca) (resid  17  and name c )   1.0  -120 30 2
  !!    a18
 assign (resid  17  and name c ) (resid  18  and name n )
        (resid  18  and name ca) (resid  18  and name c )   1.0  -156 40 2
  !!    p19
  !!    a20
  !!    e21
 assign (resid  20  and name c ) (resid  21  and name n )
        (resid  21  and name ca) (resid  21  and name c )   1.0  -80 20 2
  !!    k22
 assign (resid  21  and name c ) (resid  22  and name n )
        (resid  22  and name ca) (resid  22  and name c )   1.0  -88 30 2
  !!    i23
  !!    v24
 assign (resid  23  and name c ) (resid  24  and name n )
        (resid  24  and name ca) (resid  24  and name c )   1.0  -120 30 2
  !!    n25
 assign (resid  24  and name c ) (resid  25  and name n )
        (resid  25  and name ca) (resid  25  and name c )   1.0  -120 40 2
  !!    s26
 assign (resid  25  and name c ) (resid  26  and name n )
        (resid  26  and name ca) (resid  26  and name c )   1.0  -120 40 2
  !!    n27
  !!    g28
  !!    e29
 assign (resid  28  and name c ) (resid  29  and name n )
        (resid  29  and name ca) (resid  29  and name c )   1.0  -120 40 2
  !!    l30
 assign (resid  29  and name c ) (resid  30  and name n )
        (resid  30  and name ca) (resid  30  and name c )   1.0  -130 30 2
  !!    y31
 assign (resid  30  and name c ) (resid  31  and name n )
        (resid  31  and name ca) (resid  31  and name c )   1.0  -120 30 2
  !!    h32
  !!    e33
 assign (resid  32  and name c ) (resid  33  and name n )
        (resid  33  and name ca) (resid  33  and name c )   1.0  -55 20 2
  !!    q34
  !!    c35
  !!    f36
  !!    v37
  !!    c38
  !!    a39
 assign (resid  38  and name c ) (resid  39  and name n )
        (resid  39  and name ca) (resid  39  and name c )   1.0  -62 30 2
  !!    q40
  !!    c41
  !!    f42
  !!    q43
  !!    q44
  !!    f45
 assign (resid  44  and name c ) (resid  45  and name n )
        (resid  45  and name ca) (resid  45  and name c )   1.0  -175 40 2
  !!    p46
  !!    e47
  !!    g48
  !!    l49
  !!    f50
  !!    y51
  !!    e52
  !!    f53
  !!    e54
 assign (resid  53  and name c ) (resid  54  and name n )
        (resid  54  and name ca) (resid  54  and name c )   1.0  -90 30 2
  !!    g55
  !!    r56
 assign (resid  55  and name c ) (resid  56  and name n )
        (resid  56  and name ca) (resid  56  and name c )   1.0  -120 30 2
  !!    k57
  !!    y58
  !!    c59
  !!    e60
 assign (resid  59  and name c ) (resid  60  and name n )
        (resid  60  and name ca) (resid  60  and name c )   1.0  -56 30 2
  !!    h61
  !!    d62
  !!    f63
  !!    q64
 assign (resid  63  and name c ) (resid  64  and name n )
        (resid  64  and name ca) (resid  64  and name c )   1.0  -66 20 2
  !!    m65
 assign (resid  64  and name c ) (resid  65  and name n )
        (resid  65  and name ca) (resid  65  and name c )   1.0  -74 20 2
  !!    l66
 assign (resid  65  and name c ) (resid  66  and name n )
        (resid  66  and name ca) (resid  66  and name c )   1.0  -75 40 2
  !!    f67
  !!    a68
  !!    p69
  !!    c70

! chi1 angle constraints, obtained from stereo assignments


  !! f17
 assign (resid 17 and name n ) (resid 17 and name ca)
        (resid 17 and name cb) (resid 17 and name cg)  1.0 60 20 2

  !! v24
 assign (resid 24 and name n ) (resid 24 and name ca)
        (resid 24 and name cb) (resid 24 and name cg1)   1.0 180.0 20.0 2
  !! n25
 assign (resid 25 and name n ) (resid 25 and name ca)
        (resid 25 and name cb) (resid 25 and name cg)  1.0 -180.0 30.0 2
  !! l30
 assign (resid 36 and name n ) (resid 36 and name ca)
        (resid 36 and name cb) (resid 36 and name cg)  1.0 -60.0 20.0 2
  !! y31
 assign (resid 36 and name n ) (resid 36 and name ca)
        (resid 36 and name cb) (resid 36 and name cg)  1.0 -60.0 30.0 2

  !! c35
 assign (resid 35 and name n ) (resid 35 and name ca)
        (resid 35 and name cb) (resid 35 and name sg)  1.0 -60.0 20.0 2
  !! c38
 assign (resid 38 and name n ) (resid 38 and name ca)
        (resid 38 and name cb) (resid 38 and name sg)  1.0 180.0 30.0 2

  !! c59
 assign (resid 59 and name n ) (resid 59 and name ca)
        (resid 59 and name cb) (resid 59 and name sg)  1.0 60 20.0 2

  !! l66
 assign (resid 66 and name n ) (resid 66 and name ca)
        (resid 66 and name cb) (resid 66 and name cg)   1.0   -60 20.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           1H       MET   1  10.500 -22.340   1.620
    2    HA   MET   1           HA       MET   1   9.831 -22.529   4.223
    3   1HB   MET   1          2HB       MET   1  10.967 -20.262   2.572
    4   2HB   MET   1          1HB       MET   1  10.896 -20.192   4.333
    5   1HG   MET   1          2HG       MET   1  12.196 -22.291   4.469
    6   2HG   MET   1          1HG       MET   1  12.282 -22.346   2.708
    7   1HE   MET   1          1HE       MET   1  14.647 -22.261   5.037
    8   2HE   MET   1          2HE       MET   1  15.869 -21.416   4.090
    9   3HE   MET   1          3HE       MET   1  14.877 -22.656   3.327
   10    H    ALA   2           H        ALA   2   8.817 -20.958   5.710
   11    HA   ALA   2           HA       ALA   2   6.959 -19.733   6.443
   12   1HB   ALA   2          1HB       ALA   2   8.112 -18.133   4.703
   13   2HB   ALA   2          2HB       ALA   2   6.486 -17.763   5.276
   14   3HB   ALA   2          3HB       ALA   2   6.715 -18.521   3.700
   15    H    ASN   3           H        ASN   3   4.660 -18.904   4.970
   16    HA   ASN   3           HA       ASN   3   3.247 -21.447   4.810
   17   1HB   ASN   3          2HB       ASN   3   2.366 -18.614   4.168
   18   2HB   ASN   3          1HB       ASN   3   1.290 -20.010   4.221
   19   1HD2  ASN   3          1HD2      ASN   3   3.441 -17.998   6.250
   20   2HD2  ASN   3          2HD2      ASN   3   2.727 -18.440   7.725
   21    H    ALA   4           H        ALA   4   1.825 -21.888   2.826
   22    HA   ALA   4           HA       ALA   4   3.493 -22.172   0.504
   23   1HB   ALA   4          1HB       ALA   4   1.406 -22.963  -0.604
   24   2HB   ALA   4          2HB       ALA   4   0.484 -22.436   0.805
   25   3HB   ALA   4          3HB       ALA   4   1.664 -23.738   0.960
   26    H    LEU   5           H        LEU   5   4.125 -20.409  -0.652
   27    HA   LEU   5           HA       LEU   5   2.471 -18.008  -0.837
   28   1HB   LEU   5          2HB       LEU   5   4.946 -18.684  -2.454
   29   2HB   LEU   5          1HB       LEU   5   4.286 -17.081  -2.126
   30    HG   LEU   5           HG       LEU   5   5.372 -18.979  -0.020
   31   1HD1  LEU   5          1HD1      LEU   5   7.234 -17.360   0.134
   32   2HD1  LEU   5          2HD1      LEU   5   6.544 -16.445  -1.208
   33   3HD1  LEU   5          3HD1      LEU   5   7.148 -18.081  -1.473
   34   1HD2  LEU   5          1HD2      LEU   5   4.234 -16.176   0.070
   35   2HD2  LEU   5          2HD2      LEU   5   5.264 -16.811   1.353
   36   3HD2  LEU   5          3HD2      LEU   5   3.720 -17.587   0.996
   37    H    ALA   6           H        ALA   6   1.199 -17.386  -2.568
   38    HA   ALA   6           HA       ALA   6   0.378 -19.453  -4.447
   39   1HB   ALA   6          1HB       ALA   6  -1.035 -17.551  -5.393
   40   2HB   ALA   6          2HB       ALA   6  -0.354 -16.533  -4.124
   41   3HB   ALA   6          3HB       ALA   6  -1.324 -17.943  -3.698
   42    H    SER   7           H        SER   7   1.143 -16.114  -5.394
   43    HA   SER   7           HA       SER   7   3.454 -16.833  -6.987
   44   1HB   SER   7          2HB       SER   7   2.428 -16.503  -9.207
   45   2HB   SER   7          1HB       SER   7   1.690 -17.870  -8.379
   46    HG   SER   7           HG       SER   7   0.066 -16.311  -7.663
   47    H    ALA   8           H        ALA   8   3.875 -14.891  -8.612
   48    HA   ALA   8           HA       ALA   8   3.850 -12.471  -7.018
   49   1HB   ALA   8          1HB       ALA   8   4.526 -12.805  -9.959
   50   2HB   ALA   8          2HB       ALA   8   5.667 -13.051  -8.637
   51   3HB   ALA   8          3HB       ALA   8   4.984 -11.451  -8.926
   52    H    THR   9           H        THR   9   1.958 -11.375  -6.741
   53    HA   THR   9           HA       THR   9   0.249 -10.944  -9.162
   54    HB   THR   9           HB       THR   9  -1.703 -10.882  -7.620
   55    HG1  THR   9           HG1      THR   9  -0.056 -11.981  -5.637
   56   1HG2  THR   9          1HG2      THR   9  -1.093 -12.995  -8.735
   57   2HG2  THR   9          2HG2      THR   9  -1.768 -13.296  -7.134
   58   3HG2  THR   9          3HG2      THR   9  -0.026 -13.396  -7.389
   59    H    CYS  10           H        CYS  10  -0.955  -8.896  -9.128
   60    HA   CYS  10           HA       CYS  10   0.702  -6.665  -8.451
   61   1HB   CYS  10          2HB       CYS  10  -1.103  -6.809 -10.251
   62   2HB   CYS  10          1HB       CYS  10  -2.247  -6.498  -8.956
   63    H    GLU  11           H        GLU  11  -0.036  -4.801  -7.105
   64    HA   GLU  11           HA       GLU  11  -0.724  -5.768  -4.417
   65   1HB   GLU  11          2HB       GLU  11   1.105  -4.203  -4.578
   66   2HB   GLU  11          1HB       GLU  11   0.124  -3.072  -5.509
   67   1HG   GLU  11          2HG       GLU  11   0.274  -2.328  -3.175
   68   2HG   GLU  11          1HG       GLU  11  -1.384  -2.800  -3.545
   69    H    ARG  12           H        ARG  12  -1.869  -3.001  -6.386
   70    HA   ARG  12           HA       ARG  12  -4.391  -2.932  -4.892
   71   1HB   ARG  12          2HB       ARG  12  -4.921  -1.065  -6.543
   72   2HB   ARG  12          1HB       ARG  12  -3.516  -0.806  -5.520
   73   1HG   ARG  12          2HG       ARG  12  -2.535  -2.171  -7.776
   74   2HG   ARG  12          1HG       ARG  12  -3.658  -0.964  -8.401
   75   1HD   ARG  12          2HD       ARG  12  -1.250  -0.167  -8.066
   76   2HD   ARG  12          1HD       ARG  12  -2.500   0.824  -7.337
   77    HE   ARG  12           HE       ARG  12  -1.669  -1.131  -5.421
   78   1HH1  ARG  12          1HH2      ARG  12  -0.501   1.638  -7.107
   79   2HH1  ARG  12          2HH2      ARG  12   0.708   2.007  -5.925
   80   1HH2  ARG  12          2HH1      ARG  12  -0.105  -0.666  -3.875
   81   2HH2  ARG  12          1HH1      ARG  12   0.935   0.701  -4.096
   82    H    CYS  13           H        CYS  13  -3.701  -5.278  -6.744
   83    HA   CYS  13           HA       CYS  13  -6.382  -5.501  -7.873
   84   1HB   CYS  13          2HB       CYS  13  -5.974  -5.094 -10.056
   85   2HB   CYS  13          1HB       CYS  13  -4.481  -4.329  -9.520
   86    H    LYS  14           H        LYS  14  -3.227  -6.837  -7.201
   87    HA   LYS  14           HA       LYS  14  -2.522  -9.044  -6.877
   88   1HB   LYS  14          2HB       LYS  14  -5.506  -9.435  -6.485
   89   2HB   LYS  14          1HB       LYS  14  -4.280 -10.640  -6.095
   90   1HG   LYS  14          2HG       LYS  14  -4.144  -7.845  -4.962
   91   2HG   LYS  14          1HG       LYS  14  -5.092  -9.109  -4.177
   92   1HD   LYS  14          2HD       LYS  14  -3.135 -10.505  -3.907
   93   2HD   LYS  14          1HD       LYS  14  -2.159  -9.411  -4.885
   94   1HE   LYS  14          2HE       LYS  14  -3.497  -8.592  -2.294
   95   2HE   LYS  14          1HE       LYS  14  -1.825  -9.145  -2.398
   96   1HZ   LYS  14          1HZ       LYS  14  -1.549  -7.357  -4.145
   97   2HZ   LYS  14          2HZ       LYS  14  -1.719  -6.826  -2.540
   98   3HZ   LYS  14          3HZ       LYS  14  -3.033  -6.733  -3.613
   99    H    GLY  15           H        GLY  15  -2.809  -8.238  -9.558
  100   1HA   GLY  15          2HA       GLY  15  -4.128 -10.501 -10.947
  101   2HA   GLY  15          1HA       GLY  15  -3.419  -9.085 -11.725
  102    H    GLY  16           H        GLY  16  -2.959 -12.311 -11.346
  103   1HA   GLY  16          2HA       GLY  16  -0.219 -12.619 -10.700
  104   2HA   GLY  16          1HA       GLY  16  -1.122 -13.718 -11.745
  105    H    PHE  17           H        PHE  17   1.223 -11.216 -11.643
  106    HA   PHE  17           HA       PHE  17   1.256 -11.101 -14.630
  107   1HB   PHE  17          2HB       PHE  17   2.700  -8.987 -14.177
  108   2HB   PHE  17          1HB       PHE  17   0.961  -8.880 -13.961
  109    HD1  PHE  17           HD1      PHE  17   1.256  -6.918 -12.479
  110    HD2  PHE  17           HD2      PHE  17   2.936 -10.745 -11.469
  111    HE1  PHE  17           HE1      PHE  17   1.624  -6.151 -10.160
  112    HE2  PHE  17           HE2      PHE  17   3.295  -9.970  -9.153
  113    HZ   PHE  17           HZ       PHE  17   2.638  -7.681  -8.498
  114    H    ALA  18           H        ALA  18   3.784 -10.269 -15.146
  115    HA   ALA  18           HA       ALA  18   5.845 -11.546 -13.627
  116   1HB   ALA  18          1HB       ALA  18   4.329 -13.280 -15.395
  117   2HB   ALA  18          2HB       ALA  18   5.592 -13.697 -14.240
  118   3HB   ALA  18          3HB       ALA  18   6.024 -13.216 -15.879
  119    HA   PRO  19           HA       PRO  19   7.539 -10.391 -18.041
  120   1HB   PRO  19          2HB       PRO  19   5.438  -8.957 -19.403
  121   2HB   PRO  19          1HB       PRO  19   6.258 -10.439 -19.912
  122   1HG   PRO  19          2HG       PRO  19   3.570 -10.181 -18.916
  123   2HG   PRO  19          1HG       PRO  19   4.406 -11.661 -19.398
  124   1HD   PRO  19          2HD       PRO  19   3.726 -10.807 -16.734
  125   2HD   PRO  19          1HD       PRO  19   4.570 -12.290 -17.220
  126    H    ALA  20           H        ALA  20   8.518  -8.334 -18.433
  127    HA   ALA  20           HA       ALA  20   8.293  -6.378 -16.382
  128   1HB   ALA  20          1HB       ALA  20   9.701  -4.966 -17.848
  129   2HB   ALA  20          2HB       ALA  20   9.402  -6.072 -19.189
  130   3HB   ALA  20          3HB       ALA  20  10.305  -6.621 -17.778
  131    H    GLU  21           H        GLU  21   6.313  -6.908 -19.127
  132    HA   GLU  21           HA       GLU  21   5.395  -4.139 -19.389
  133   1HB   GLU  21          2HB       GLU  21   5.349  -5.612 -21.347
  134   2HB   GLU  21          1HB       GLU  21   4.305  -6.748 -20.496
  135   1HG   GLU  21          2HG       GLU  21   3.342  -3.939 -20.610
  136   2HG   GLU  21          1HG       GLU  21   3.356  -4.812 -22.141
  137    H    LYS  22           H        LYS  22   4.153  -7.179 -18.021
  138    HA   LYS  22           HA       LYS  22   1.829  -5.755 -16.885
  139   1HB   LYS  22          2HB       LYS  22   2.628  -8.669 -16.624
  140   2HB   LYS  22          1HB       LYS  22   1.068  -7.969 -16.193
  141   1HG   LYS  22          2HG       LYS  22   0.719  -7.308 -18.553
  142   2HG   LYS  22          1HG       LYS  22   2.266  -8.042 -18.980
  143   1HD   LYS  22          2HD       LYS  22   1.408 -10.227 -18.093
  144   2HD   LYS  22          1HD       LYS  22  -0.165  -9.464 -17.856
  145   1HE   LYS  22          2HE       LYS  22  -0.311  -8.961 -20.251
  146   2HE   LYS  22          1HE       LYS  22   1.293  -9.649 -20.511
  147   1HZ   LYS  22          1HZ       LYS  22  -0.791 -11.271 -19.218
  148   2HZ   LYS  22          2HZ       LYS  22   0.545 -11.771 -20.140
  149   3HZ   LYS  22          3HZ       LYS  22  -0.809 -11.088 -20.903
  150    H    ILE  23           H        ILE  23   4.884  -7.178 -15.872
  151    HA   ILE  23           HA       ILE  23   4.226  -6.724 -13.028
  152    HB   ILE  23           HB       ILE  23   5.882  -8.551 -14.407
  153   1HG1  ILE  23          2HG1      ILE  23   4.598  -9.056 -12.401
  154   2HG1  ILE  23          1HG1      ILE  23   6.294  -9.427 -12.111
  155   1HG2  ILE  23          1HG2      ILE  23   7.728  -6.958 -14.386
  156   2HG2  ILE  23          2HG2      ILE  23   8.057  -8.243 -13.225
  157   3HG2  ILE  23          3HG2      ILE  23   7.498  -6.669 -12.660
  158   1HD1  ILE  23          1HD1      ILE  23   5.739  -8.241 -10.177
  159   2HD1  ILE  23          2HD1      ILE  23   4.647  -7.155 -11.035
  160   3HD1  ILE  23          3HD1      ILE  23   6.391  -6.961 -11.199
  161    H    VAL  24           H        VAL  24   4.856  -4.951 -11.940
  162    HA   VAL  24           HA       VAL  24   7.145  -3.333 -12.912
  163    HB   VAL  24           HB       VAL  24   4.601  -1.912 -12.131
  164   1HG1  VAL  24          1HG1      VAL  24   6.941  -1.185 -13.920
  165   2HG1  VAL  24          2HG1      VAL  24   6.734  -0.672 -12.245
  166   3HG1  VAL  24          3HG1      VAL  24   5.606  -0.118 -13.483
  167   1HG2  VAL  24          1HG2      VAL  24   3.933  -3.374 -13.990
  168   2HG2  VAL  24          2HG2      VAL  24   5.339  -2.865 -14.924
  169   3HG2  VAL  24          3HG2      VAL  24   4.056  -1.712 -14.561
  170    H    ASN  25           H        ASN  25   8.399  -2.983 -11.124
  171    HA   ASN  25           HA       ASN  25   7.026  -3.045  -8.469
  172   1HB   ASN  25          2HB       ASN  25   8.559  -4.840  -8.525
  173   2HB   ASN  25          1HB       ASN  25   9.801  -3.874  -9.321
  174   1HD2  ASN  25          1HD2      ASN  25  11.007  -2.327  -7.988
  175   2HD2  ASN  25          2HD2      ASN  25  10.971  -2.410  -6.294
  176    H    SER  26           H        SER  26   7.488  -1.448  -6.977
  177    HA   SER  26           HA       SER  26   9.453   0.648  -7.551
  178   1HB   SER  26          2HB       SER  26   7.984   2.412  -7.982
  179   2HB   SER  26          1HB       SER  26   7.168   1.093  -8.820
  180    HG   SER  26           HG       SER  26   5.570   1.676  -7.569
  181    H    ASN  27           H        ASN  27  10.162   1.475  -5.608
  182    HA   ASN  27           HA       ASN  27  10.246   1.920  -3.303
  183   1HB   ASN  27          2HB       ASN  27   8.304   2.718  -2.492
  184   2HB   ASN  27          1HB       ASN  27   7.492   2.091  -3.915
  185   1HD2  ASN  27          1HD2      ASN  27   5.830   0.650  -3.450
  186   2HD2  ASN  27          2HD2      ASN  27   5.733  -0.312  -2.055
  187    H    GLY  28           H        GLY  28   8.390  -0.936  -4.215
  188   1HA   GLY  28          2HA       GLY  28  10.016  -2.974  -3.442
  189   2HA   GLY  28          1HA       GLY  28   9.310  -2.479  -1.899
  190    H    GLU  29           H        GLU  29   6.862  -1.594  -3.538
  191    HA   GLU  29           HA       GLU  29   5.439  -4.165  -3.316
  192   1HB   GLU  29          2HB       GLU  29   4.725  -1.303  -3.493
  193   2HB   GLU  29          1HB       GLU  29   3.613  -2.385  -4.327
  194   1HG   GLU  29          2HG       GLU  29   2.948  -3.429  -2.382
  195   2HG   GLU  29          1HG       GLU  29   4.498  -3.164  -1.581
  196    H    LEU  30           H        LEU  30   3.805  -4.608  -5.182
  197    HA   LEU  30           HA       LEU  30   5.261  -4.335  -7.788
  198   1HB   LEU  30          2HB       LEU  30   3.344  -6.506  -6.866
  199   2HB   LEU  30          1HB       LEU  30   4.098  -6.418  -8.456
  200    HG   LEU  30           HG       LEU  30   5.406  -7.953  -7.173
  201   1HD1  LEU  30          1HD1      LEU  30   6.996  -5.419  -6.860
  202   2HD1  LEU  30          2HD1      LEU  30   6.566  -6.004  -8.468
  203   3HD1  LEU  30          3HD1      LEU  30   7.537  -7.011  -7.393
  204   1HD2  LEU  30          1HD2      LEU  30   5.842  -7.777  -4.939
  205   2HD2  LEU  30          2HD2      LEU  30   4.489  -6.649  -4.967
  206   3HD2  LEU  30          3HD2      LEU  30   6.143  -6.043  -5.028
  207    H    TYR  31           H        TYR  31   4.112  -3.494  -9.507
  208    HA   TYR  31           HA       TYR  31   1.181  -3.007  -9.169
  209   1HB   TYR  31          2HB       TYR  31   2.946  -0.930 -10.434
  210   2HB   TYR  31          1HB       TYR  31   1.344  -0.722  -9.742
  211    HD1  TYR  31           HD1      TYR  31   4.810  -1.756  -8.674
  212    HD2  TYR  31           HD2      TYR  31   1.197   0.334  -7.686
  213    HE1  TYR  31           HE1      TYR  31   5.846  -0.967  -6.572
  214    HE2  TYR  31           HE2      TYR  31   2.234   1.129  -5.570
  215    HH   TYR  31           HH       TYR  31   5.252   1.321  -4.982
  216    H    HIS  32           H        HIS  32   0.139  -2.525 -11.262
  217    HA   HIS  32           HA       HIS  32   1.407  -4.024 -13.496
  218   1HB   HIS  32          2HB       HIS  32  -1.370  -3.270 -12.735
  219   2HB   HIS  32          1HB       HIS  32  -1.020  -3.276 -14.458
  220    HD2  HIS  32           HD2      HIS  32   0.203  -5.922 -15.272
  221    HE1  HIS  32           HE1      HIS  32  -1.934  -7.924 -12.235
  222    HE2  HIS  32           HE2      HIS  32  -0.611  -8.238 -14.379
  223    H    GLU  33           H        GLU  33   0.741  -2.865 -15.731
  224    HA   GLU  33           HA       GLU  33   2.021  -0.250 -15.619
  225   1HB   GLU  33          2HB       GLU  33   1.408  -0.252 -18.129
  226   2HB   GLU  33          1HB       GLU  33   2.524  -1.502 -17.584
  227   1HG   GLU  33          2HG       GLU  33   0.944  -3.194 -17.770
  228   2HG   GLU  33          1HG       GLU  33  -0.415  -2.093 -17.539
  229    H    GLN  34           H        GLN  34  -1.001  -1.226 -14.829
  230    HA   GLN  34           HA       GLN  34  -2.071   1.486 -15.163
  231   1HB   GLN  34          2HB       GLN  34  -2.650   0.018 -17.247
  232   2HB   GLN  34          1HB       GLN  34  -3.791  -0.776 -16.160
  233   1HG   GLN  34          2HG       GLN  34  -4.244   1.912 -15.660
  234   2HG   GLN  34          1HG       GLN  34  -3.933   1.885 -17.396
  235   1HE2  GLN  34          1HE2      GLN  34  -5.431   0.692 -18.764
  236   2HE2  GLN  34          2HE2      GLN  34  -6.929   0.147 -18.180
  237    H    CYS  35           H        CYS  35  -1.328   0.175 -12.838
  238    HA   CYS  35           HA       CYS  35  -3.989  -0.293 -11.544
  239   1HB   CYS  35          2HB       CYS  35  -1.367  -1.716 -11.109
  240   2HB   CYS  35          1HB       CYS  35  -2.571  -1.647  -9.839
  241    H    PHE  36           H        PHE  36  -0.905   1.250 -11.573
  242    HA   PHE  36           HA       PHE  36  -0.444   2.170  -9.020
  243   1HB   PHE  36          2HB       PHE  36  -0.290   3.617 -11.661
  244   2HB   PHE  36          1HB       PHE  36   0.199   4.384 -10.165
  245    HD1  PHE  36           HD1      PHE  36   0.737   1.273 -12.156
  246    HD2  PHE  36           HD2      PHE  36   2.348   4.056  -9.335
  247    HE1  PHE  36           HE1      PHE  36   2.929   0.128 -12.280
  248    HE2  PHE  36           HE2      PHE  36   4.545   2.914  -9.444
  249    HZ   PHE  36           HZ       PHE  36   4.837   0.946 -10.923
  250    H    VAL  37           H        VAL  37  -2.055   2.782  -7.588
  251    HA   VAL  37           HA       VAL  37  -4.095   4.747  -8.559
  252    HB   VAL  37           HB       VAL  37  -5.384   3.950  -6.473
  253   1HG1  VAL  37          1HG1      VAL  37  -6.016   1.749  -7.783
  254   2HG1  VAL  37          2HG1      VAL  37  -4.950   2.415  -9.017
  255   3HG1  VAL  37          3HG1      VAL  37  -6.365   3.325  -8.491
  256   1HG2  VAL  37          1HG2      VAL  37  -4.457   2.355  -5.194
  257   2HG2  VAL  37          2HG2      VAL  37  -3.019   2.391  -6.211
  258   3HG2  VAL  37          3HG2      VAL  37  -4.336   1.280  -6.586
  259    H    CYS  38           H        CYS  38  -4.968   6.105  -6.663
  260    HA   CYS  38           HA       CYS  38  -2.644   7.345  -5.308
  261   1HB   CYS  38          2HB       CYS  38  -4.401   8.697  -6.541
  262   2HB   CYS  38          1HB       CYS  38  -5.543   8.231  -5.288
  263    H    ALA  39           H        ALA  39  -2.156   6.576  -3.304
  264    HA   ALA  39           HA       ALA  39  -3.655   4.784  -1.764
  265   1HB   ALA  39          1HB       ALA  39  -1.280   5.393  -1.317
  266   2HB   ALA  39          2HB       ALA  39  -2.270   5.449   0.141
  267   3HB   ALA  39          3HB       ALA  39  -1.822   6.944  -0.679
  268    H    GLN  40           H        GLN  40  -4.345   8.084  -2.340
  269    HA   GLN  40           HA       GLN  40  -6.107   8.249   0.062
  270   1HB   GLN  40          2HB       GLN  40  -5.285  10.428  -1.880
  271   2HB   GLN  40          1HB       GLN  40  -6.187  10.653  -0.381
  272   1HG   GLN  40          2HG       GLN  40  -4.285   9.837   0.925
  273   2HG   GLN  40          1HG       GLN  40  -3.386   9.501  -0.554
  274   1HE2  GLN  40          1HE2      GLN  40  -2.051  11.171  -1.276
  275   2HE2  GLN  40          2HE2      GLN  40  -2.192  12.796  -0.809
  276    H    CYS  41           H        CYS  41  -6.337   9.490  -3.303
  277    HA   CYS  41           HA       CYS  41  -9.247   9.118  -3.251
  278   1HB   CYS  41          2HB       CYS  41  -9.267  10.237  -5.356
  279   2HB   CYS  41          1HB       CYS  41  -8.014  11.034  -4.409
  280    H    PHE  42           H        PHE  42  -6.651   7.100  -3.914
  281    HA   PHE  42           HA       PHE  42  -6.482   4.998  -4.927
  282   1HB   PHE  42          2HB       PHE  42  -9.510   5.017  -4.952
  283   2HB   PHE  42          1HB       PHE  42  -8.440   3.616  -4.919
  284    HD1  PHE  42           HD1      PHE  42 -10.503   5.584  -2.921
  285    HD2  PHE  42           HD2      PHE  42  -6.606   3.776  -2.904
  286    HE1  PHE  42           HE1      PHE  42 -10.481   5.655  -0.443
  287    HE2  PHE  42           HE2      PHE  42  -6.584   3.846  -0.426
  288    HZ   PHE  42           HZ       PHE  42  -8.521   4.786   0.804
  289    H    GLN  43           H        GLN  43  -6.924   7.547  -6.554
  290    HA   GLN  43           HA       GLN  43  -8.337   6.766  -8.954
  291   1HB   GLN  43          2HB       GLN  43  -8.034   9.120  -8.565
  292   2HB   GLN  43          1HB       GLN  43  -6.295   8.927  -8.363
  293   1HG   GLN  43          2HG       GLN  43  -6.892   9.866 -10.592
  294   2HG   GLN  43          1HG       GLN  43  -6.048   8.323 -10.727
  295   1HE2  GLN  43          1HE2      GLN  43  -9.351   9.743 -10.742
  296   2HE2  GLN  43          2HE2      GLN  43 -10.037   8.526 -11.705
  297    H    GLN  44           H        GLN  44  -7.620   5.131 -10.254
  298    HA   GLN  44           HA       GLN  44  -4.887   4.186 -10.178
  299   1HB   GLN  44          2HB       GLN  44  -5.715   2.911 -12.287
  300   2HB   GLN  44          1HB       GLN  44  -6.417   2.501 -10.732
  301   1HG   GLN  44          2HG       GLN  44  -8.433   3.586 -11.204
  302   2HG   GLN  44          1HG       GLN  44  -7.697   4.637 -12.415
  303   1HE2  GLN  44          1HE2      GLN  44  -6.751   3.317 -14.393
  304   2HE2  GLN  44          2HE2      GLN  44  -7.724   2.048 -14.962
  305    H    PHE  45           H        PHE  45  -3.704   3.963 -12.403
  306    HA   PHE  45           HA       PHE  45  -4.170   6.071 -14.338
  307   1HB   PHE  45          2HB       PHE  45  -2.842   6.868 -12.014
  308   2HB   PHE  45          1HB       PHE  45  -1.543   6.603 -13.173
  309    HD1  PHE  45           HD1      PHE  45  -0.912   8.865 -13.548
  310    HD2  PHE  45           HD2      PHE  45  -5.014   7.697 -14.047
  311    HE1  PHE  45           HE1      PHE  45  -1.401  11.042 -14.624
  312    HE2  PHE  45           HE2      PHE  45  -5.501   9.872 -15.122
  313    HZ   PHE  45           HZ       PHE  45  -3.697  11.546 -15.411
  314    HA   PRO  46           HA       PRO  46  -1.891   3.048 -16.621
  315   1HB   PRO  46          2HB       PRO  46  -1.474   4.877 -18.777
  316   2HB   PRO  46          1HB       PRO  46  -2.703   3.614 -18.660
  317   1HG   PRO  46          2HG       PRO  46  -3.073   6.478 -18.476
  318   2HG   PRO  46          1HG       PRO  46  -4.307   5.212 -18.422
  319   1HD   PRO  46          2HD       PRO  46  -3.342   6.820 -16.238
  320   2HD   PRO  46          1HD       PRO  46  -4.562   5.531 -16.188
  321    H    GLU  47           H        GLU  47   0.098   4.051 -18.538
  322    HA   GLU  47           HA       GLU  47   2.340   4.719 -18.653
  323   1HB   GLU  47          2HB       GLU  47   1.941   6.058 -15.962
  324   2HB   GLU  47          1HB       GLU  47   3.176   6.411 -17.166
  325   1HG   GLU  47          2HG       GLU  47   1.798   7.972 -18.022
  326   2HG   GLU  47          1HG       GLU  47   0.731   6.667 -18.537
  327    H    GLY  48           H        GLY  48   1.240   3.562 -15.475
  328   1HA   GLY  48          2HA       GLY  48   2.060   1.654 -14.322
  329   2HA   GLY  48          1HA       GLY  48   3.352   1.518 -15.515
  330    H    LEU  49           H        LEU  49   2.803   4.628 -14.080
  331    HA   LEU  49           HA       LEU  49   4.470   4.400 -11.772
  332   1HB   LEU  49          2HB       LEU  49   6.196   3.920 -13.547
  333   2HB   LEU  49          1HB       LEU  49   5.907   5.535 -14.191
  334    HG   LEU  49           HG       LEU  49   6.442   5.363 -11.268
  335   1HD1  LEU  49          1HD1      LEU  49   8.904   5.279 -11.680
  336   2HD1  LEU  49          2HD1      LEU  49   8.578   4.888 -13.368
  337   3HD1  LEU  49          3HD1      LEU  49   8.092   3.770 -12.095
  338   1HD2  LEU  49          1HD2      LEU  49   6.177   7.553 -12.136
  339   2HD2  LEU  49          2HD2      LEU  49   7.133   7.192 -13.572
  340   3HD2  LEU  49          3HD2      LEU  49   7.924   7.359 -12.006
  341    H    PHE  50           H        PHE  50   4.182   6.223 -10.583
  342    HA   PHE  50           HA       PHE  50   3.789   8.823 -11.893
  343   1HB   PHE  50          2HB       PHE  50   1.653   9.276 -10.688
  344   2HB   PHE  50          1HB       PHE  50   1.500   8.005 -11.891
  345    HD1  PHE  50           HD1      PHE  50   3.323   6.810  -9.027
  346    HD2  PHE  50           HD2      PHE  50  -0.645   7.619 -10.469
  347    HE1  PHE  50           HE1      PHE  50   2.383   5.320  -7.297
  348    HE2  PHE  50           HE2      PHE  50  -1.574   6.118  -8.731
  349    HZ   PHE  50           HZ       PHE  50  -0.056   4.970  -7.148
  350    H    TYR  51           H        TYR  51   2.465   9.363  -8.996
  351    HA   TYR  51           HA       TYR  51   5.111   9.948  -7.791
  352   1HB   TYR  51          2HB       TYR  51   2.521  11.220  -7.749
  353   2HB   TYR  51          1HB       TYR  51   3.038  10.873  -6.100
  354    HD1  TYR  51           HD1      TYR  51   5.655  11.331  -5.676
  355    HD2  TYR  51           HD2      TYR  51   3.246  13.231  -8.682
  356    HE1  TYR  51           HE1      TYR  51   7.262  13.215  -5.770
  357    HE2  TYR  51           HE2      TYR  51   4.851  15.120  -8.774
  358    HH   TYR  51           HH       TYR  51   6.594  16.109  -7.672
  359    H    GLU  52           H        GLU  52   4.923   7.347  -7.731
  360    HA   GLU  52           HA       GLU  52   3.450   6.287  -5.460
  361   1HB   GLU  52          2HB       GLU  52   4.174   4.210  -6.184
  362   2HB   GLU  52          1HB       GLU  52   4.360   5.124  -7.677
  363   1HG   GLU  52          2HG       GLU  52   6.436   4.078  -7.521
  364   2HG   GLU  52          1HG       GLU  52   6.768   5.632  -6.760
  365    H    PHE  53           H        PHE  53   4.668   5.121  -3.642
  366    HA   PHE  53           HA       PHE  53   7.341   6.189  -3.015
  367   1HB   PHE  53          2HB       PHE  53   4.893   7.355  -1.907
  368   2HB   PHE  53          1HB       PHE  53   5.984   6.775  -0.648
  369    HD1  PHE  53           HD1      PHE  53   8.378   7.569  -0.617
  370    HD2  PHE  53           HD2      PHE  53   5.414   9.294  -3.207
  371    HE1  PHE  53           HE1      PHE  53   9.828   9.550  -0.961
  372    HE2  PHE  53           HE2      PHE  53   6.866  11.273  -3.550
  373    HZ   PHE  53           HZ       PHE  53   9.073  11.402  -2.427
  374    H    GLU  54           H        GLU  54   7.912   5.418  -0.652
  375    HA   GLU  54           HA       GLU  54   7.710   2.551  -0.650
  376   1HB   GLU  54          2HB       GLU  54   9.633   3.912   0.261
  377   2HB   GLU  54          1HB       GLU  54   8.607   4.313   1.639
  378   1HG   GLU  54          2HG       GLU  54   8.274   1.764   1.898
  379   2HG   GLU  54          1HG       GLU  54   9.655   1.603   0.813
  380    H    GLY  55           H        GLY  55   5.970   1.417  -0.021
  381   1HA   GLY  55          2HA       GLY  55   4.199   0.670   1.325
  382   2HA   GLY  55          1HA       GLY  55   4.759   1.790   2.566
  383    H    ARG  56           H        ARG  56   4.418   3.698  -0.063
  384    HA   ARG  56           HA       ARG  56   1.481   4.042   0.116
  385   1HB   ARG  56          2HB       ARG  56   3.143   6.504   0.543
  386   2HB   ARG  56          1HB       ARG  56   1.485   6.177   1.041
  387   1HG   ARG  56          2HG       ARG  56   2.236   4.705   2.810
  388   2HG   ARG  56          1HG       ARG  56   3.902   4.802   2.241
  389   1HD   ARG  56          2HD       ARG  56   3.073   7.467   2.605
  390   2HD   ARG  56          1HD       ARG  56   2.478   6.596   4.015
  391    HE   ARG  56           HE       ARG  56   5.142   7.395   3.682
  392   1HH1  ARG  56          1HH2      ARG  56   3.454   4.410   4.164
  393   2HH1  ARG  56          2HH2      ARG  56   4.828   3.605   4.840
  394   1HH2  ARG  56          2HH1      ARG  56   6.916   6.349   4.566
  395   2HH2  ARG  56          1HH1      ARG  56   6.777   4.698   5.070
  396    H    LYS  57           H        LYS  57   0.681   4.780  -1.826
  397    HA   LYS  57           HA       LYS  57   2.660   5.866  -3.772
  398   1HB   LYS  57          2HB       LYS  57   1.797   4.556  -5.516
  399   2HB   LYS  57          1HB       LYS  57   1.844   3.443  -4.153
  400   1HG   LYS  57          2HG       LYS  57  -0.627   5.066  -4.699
  401   2HG   LYS  57          1HG       LYS  57  -0.328   3.576  -5.584
  402   1HD   LYS  57          2HD       LYS  57   0.005   2.442  -3.338
  403   2HD   LYS  57          1HD       LYS  57  -0.622   3.918  -2.596
  404   1HE   LYS  57          2HE       LYS  57  -2.663   3.711  -4.039
  405   2HE   LYS  57          1HE       LYS  57  -2.035   2.159  -4.594
  406   1HZ   LYS  57          1HZ       LYS  57  -1.870   1.676  -2.066
  407   2HZ   LYS  57          2HZ       LYS  57  -3.364   1.515  -2.860
  408   3HZ   LYS  57          3HZ       LYS  57  -3.034   2.903  -1.937
  409    H    TYR  58           H        TYR  58   1.790   7.428  -5.290
  410    HA   TYR  58           HA       TYR  58  -0.976   8.378  -4.783
  411   1HB   TYR  58          2HB       TYR  58   1.381  10.272  -4.658
  412   2HB   TYR  58          1HB       TYR  58  -0.308  10.654  -4.336
  413    HD1  TYR  58           HD1      TYR  58   2.802   9.514  -2.950
  414    HD2  TYR  58           HD2      TYR  58  -1.455   9.464  -2.366
  415    HE1  TYR  58           HE1      TYR  58   3.145   8.954  -0.566
  416    HE2  TYR  58           HE2      TYR  58  -1.114   8.896   0.029
  417    HH   TYR  58           HH       TYR  58   0.531   7.967   1.482
  418    H    CYS  59           H        CYS  59  -1.827   9.571  -6.524
  419    HA   CYS  59           HA       CYS  59  -0.293   9.325  -9.044
  420   1HB   CYS  59          2HB       CYS  59  -2.475  10.168 -10.056
  421   2HB   CYS  59          1HB       CYS  59  -2.581   8.607  -9.239
  422    H    GLU  60           H        GLU  60  -0.594  11.387 -10.527
  423    HA   GLU  60           HA       GLU  60   0.725  13.563  -9.181
  424   1HB   GLU  60          2HB       GLU  60   0.867  12.978 -11.663
  425   2HB   GLU  60          1HB       GLU  60  -0.725  13.712 -11.842
  426   1HG   GLU  60          2HG       GLU  60   1.181  15.274 -12.356
  427   2HG   GLU  60          1HG       GLU  60   0.108  15.858 -11.088
  428    H    HIS  61           H        HIS  61  -2.345  12.611  -8.721
  429    HA   HIS  61           HA       HIS  61  -3.694  15.195  -8.971
  430   1HB   HIS  61          2HB       HIS  61  -5.384  13.686  -9.141
  431   2HB   HIS  61          1HB       HIS  61  -4.449  12.426  -8.349
  432    HD2  HIS  61           HD2      HIS  61  -6.312  15.707  -7.032
  433    HE1  HIS  61           HE1      HIS  61  -6.777  12.611  -4.204
  434    HE2  HIS  61           HE2      HIS  61  -7.351  15.022  -4.739
  435    H    ASP  62           H        ASP  62  -3.505  13.158  -6.034
  436    HA   ASP  62           HA       ASP  62  -3.791  15.315  -4.228
  437   1HB   ASP  62          2HB       ASP  62  -3.134  12.495  -4.071
  438   2HB   ASP  62          1HB       ASP  62  -2.139  13.421  -2.952
  439    H    PHE  63           H        PHE  63  -0.930  13.955  -5.742
  440    HA   PHE  63           HA       PHE  63   0.934  15.470  -4.149
  441   1HB   PHE  63          2HB       PHE  63   1.031  13.531  -6.335
  442   2HB   PHE  63          1HB       PHE  63   2.337  14.708  -6.351
  443    HD1  PHE  63           HD1      PHE  63   0.350  12.869  -3.759
  444    HD2  PHE  63           HD2      PHE  63   4.216  14.070  -5.145
  445    HE1  PHE  63           HE1      PHE  63   1.388  11.742  -1.815
  446    HE2  PHE  63           HE2      PHE  63   5.262  12.918  -3.215
  447    HZ   PHE  63           HZ       PHE  63   3.852  11.762  -1.544
  448    H    GLN  64           H        GLN  64  -0.640  16.122  -7.309
  449    HA   GLN  64           HA       GLN  64   1.127  18.360  -7.862
  450   1HB   GLN  64          2HB       GLN  64  -0.414  19.024  -9.578
  451   2HB   GLN  64          1HB       GLN  64  -0.362  17.268  -9.604
  452   1HG   GLN  64          2HG       GLN  64  -2.613  17.288  -9.387
  453   2HG   GLN  64          1HG       GLN  64  -2.384  17.907  -7.756
  454   1HE2  GLN  64          1HE2      GLN  64  -2.455  20.291  -7.466
  455   2HE2  GLN  64          2HE2      GLN  64  -3.228  21.264  -8.621
  456    H    MET  65           H        MET  65  -1.641  17.862  -5.856
  457    HA   MET  65           HA       MET  65  -2.376  20.630  -5.479
  458   1HB   MET  65          2HB       MET  65  -2.747  18.211  -3.675
  459   2HB   MET  65          1HB       MET  65  -3.496  19.785  -3.406
  460   1HG   MET  65          2HG       MET  65  -3.873  18.110  -5.906
  461   2HG   MET  65          1HG       MET  65  -5.019  18.180  -4.567
  462   1HE   MET  65          1HE       MET  65  -5.087  18.782  -7.715
  463   2HE   MET  65          2HE       MET  65  -6.077  20.220  -7.942
  464   3HE   MET  65          3HE       MET  65  -6.658  18.914  -6.912
  465    H    LEU  66           H        LEU  66  -0.183  18.362  -3.864
  466    HA   LEU  66           HA       LEU  66   0.693  20.215  -1.811
  467   1HB   LEU  66          2HB       LEU  66   2.504  18.080  -2.925
  468   2HB   LEU  66          1HB       LEU  66   2.301  18.599  -1.253
  469    HG   LEU  66           HG       LEU  66   0.337  16.984  -2.894
  470   1HD1  LEU  66          1HD1      LEU  66   2.335  15.772  -2.006
  471   2HD1  LEU  66          2HD1      LEU  66   0.820  15.206  -1.303
  472   3HD1  LEU  66          3HD1      LEU  66   1.875  16.276  -0.380
  473   1HD2  LEU  66          1HD2      LEU  66  -0.990  18.380  -1.481
  474   2HD2  LEU  66          2HD2      LEU  66   0.144  18.225  -0.139
  475   3HD2  LEU  66          3HD2      LEU  66  -0.854  16.850  -0.613
  476    H    PHE  67           H        PHE  67   1.303  19.761  -5.156
  477    HA   PHE  67           HA       PHE  67   2.559  20.959  -6.696
  478   1HB   PHE  67          2HB       PHE  67   1.829  22.830  -4.820
  479   2HB   PHE  67          1HB       PHE  67   3.586  22.967  -4.784
  480    HD1  PHE  67           HD1      PHE  67   0.563  23.638  -6.672
  481    HD2  PHE  67           HD2      PHE  67   4.841  23.367  -6.942
  482    HE1  PHE  67           HE1      PHE  67   0.509  24.907  -8.801
  483    HE2  PHE  67           HE2      PHE  67   4.787  24.637  -9.071
  484    HZ   PHE  67           HZ       PHE  67   2.621  25.407 -10.001
  485    H    ALA  68           H        ALA  68   4.071  19.205  -6.792
  486    HA   ALA  68           HA       ALA  68   6.664  19.778  -5.408
  487   1HB   ALA  68          1HB       ALA  68   7.035  17.291  -5.423
  488   2HB   ALA  68          2HB       ALA  68   5.372  17.094  -5.975
  489   3HB   ALA  68          3HB       ALA  68   5.697  17.798  -4.391
  490    HA   PRO  69           HA       PRO  69   7.246  19.977  -9.979
  491   1HB   PRO  69          2HB       PRO  69   9.445  21.755  -9.451
  492   2HB   PRO  69          1HB       PRO  69   7.880  22.150 -10.173
  493   1HG   PRO  69          2HG       PRO  69   8.824  22.835  -7.533
  494   2HG   PRO  69          1HG       PRO  69   7.265  23.236  -8.267
  495   1HD   PRO  69          2HD       PRO  69   7.795  21.309  -6.188
  496   2HD   PRO  69          1HD       PRO  69   6.232  21.716  -6.925
  497    H    CYS  70           H        CYS  70   8.215  18.004 -10.400
  498    HA   CYS  70           HA       CYS  70   9.901  16.394 -10.618
  499   1HB   CYS  70          2HB       CYS  70  11.892  18.536  -9.863
  500   2HB   CYS  70          1HB       CYS  70  12.106  17.177 -10.964
  501    HG   CYS  70           HG       CYS  70  10.179  19.534 -11.689
  Start of MODEL    2
    1    H    MET   1           1H       MET   1   7.778 -22.431 -13.798
    2    HA   MET   1           HA       MET   1   7.225 -25.150 -14.274
    3   1HB   MET   1          2HB       MET   1   8.966 -23.601 -12.339
    4   2HB   MET   1          1HB       MET   1   9.001 -25.360 -12.456
    5   1HG   MET   1          2HG       MET   1   9.490 -25.124 -14.910
    6   2HG   MET   1          1HG       MET   1   9.621 -23.383 -14.668
    7   1HE   MET   1          1HE       MET   1  11.323 -26.676 -14.760
    8   2HE   MET   1          2HE       MET   1  10.755 -26.780 -13.096
    9   3HE   MET   1          3HE       MET   1  12.484 -26.704 -13.424
   10    H    ALA   2           H        ALA   2   7.261 -26.635 -12.163
   11    HA   ALA   2           HA       ALA   2   4.682 -26.350 -10.921
   12   1HB   ALA   2          1HB       ALA   2   5.774 -28.544 -11.266
   13   2HB   ALA   2          2HB       ALA   2   5.355 -28.298  -9.571
   14   3HB   ALA   2          3HB       ALA   2   7.024 -28.098 -10.103
   15    H    ASN   3           H        ASN   3   4.307 -26.113  -8.572
   16    HA   ASN   3           HA       ASN   3   4.540 -24.937  -6.559
   17   1HB   ASN   3          2HB       ASN   3   6.758 -26.429  -6.730
   18   2HB   ASN   3          1HB       ASN   3   7.514 -24.841  -6.849
   19   1HD2  ASN   3          1HD2      ASN   3   6.908 -23.253  -5.048
   20   2HD2  ASN   3          2HD2      ASN   3   6.588 -23.884  -3.505
   21    H    ALA   4           H        ALA   4   4.677 -23.573  -9.312
   22    HA   ALA   4           HA       ALA   4   5.450 -20.905  -8.246
   23   1HB   ALA   4          1HB       ALA   4   6.224 -21.772 -11.039
   24   2HB   ALA   4          2HB       ALA   4   7.320 -21.948  -9.669
   25   3HB   ALA   4          3HB       ALA   4   6.764 -20.346 -10.154
   26    H    LEU   5           H        LEU   5   3.063 -22.734  -9.406
   27    HA   LEU   5           HA       LEU   5   1.947 -21.076 -11.507
   28   1HB   LEU   5          2HB       LEU   5   0.767 -23.213  -9.712
   29   2HB   LEU   5          1HB       LEU   5  -0.172 -22.383 -10.952
   30    HG   LEU   5           HG       LEU   5   1.873 -23.066 -12.500
   31   1HD1  LEU   5          1HD1      LEU   5   2.621 -25.400 -11.782
   32   2HD1  LEU   5          2HD1      LEU   5   1.980 -25.016 -10.185
   33   3HD1  LEU   5          3HD1      LEU   5   3.302 -24.062 -10.857
   34   1HD2  LEU   5          1HD2      LEU   5  -0.266 -25.013 -11.573
   35   2HD2  LEU   5          2HD2      LEU   5   0.639 -25.140 -13.081
   36   3HD2  LEU   5          3HD2      LEU   5  -0.460 -23.786 -12.823
   37    H    ALA   6           H        ALA   6   0.452 -19.408 -11.323
   38    HA   ALA   6           HA       ALA   6  -0.613 -17.584 -10.303
   39   1HB   ALA   6          1HB       ALA   6  -1.201 -19.569  -8.087
   40   2HB   ALA   6          2HB       ALA   6  -2.102 -19.505  -9.601
   41   3HB   ALA   6          3HB       ALA   6  -2.127 -18.125  -8.503
   42    H    SER   7           H        SER   7   2.034 -17.361  -9.953
   43    HA   SER   7           HA       SER   7   2.409 -16.733  -7.047
   44   1HB   SER   7          2HB       SER   7   4.878 -16.820  -7.631
   45   2HB   SER   7          1HB       SER   7   4.035 -18.363  -7.740
   46    HG   SER   7           HG       SER   7   4.265 -18.344  -9.849
   47    H    ALA   8           H        ALA   8   3.347 -14.703  -6.522
   48    HA   ALA   8           HA       ALA   8   3.813 -12.423  -6.778
   49   1HB   ALA   8          1HB       ALA   8   5.235 -13.504  -8.744
   50   2HB   ALA   8          2HB       ALA   8   5.019 -11.757  -8.642
   51   3HB   ALA   8          3HB       ALA   8   4.032 -12.703  -9.754
   52    H    THR   9           H        THR   9   2.013 -11.223  -6.412
   53    HA   THR   9           HA       THR   9   0.050 -10.958  -8.655
   54    HB   THR   9           HB       THR   9  -1.753 -10.785  -6.992
   55    HG1  THR   9           HG1      THR   9  -0.015 -10.074  -5.370
   56   1HG2  THR   9          1HG2      THR   9  -1.065 -13.030  -7.864
   57   2HG2  THR   9          2HG2      THR   9  -1.796 -13.098  -6.261
   58   3HG2  THR   9          3HG2      THR   9  -0.047 -13.226  -6.438
   59    H    CYS  10           H        CYS  10  -1.019  -8.870  -8.745
   60    HA   CYS  10           HA       CYS  10   0.734  -6.656  -8.352
   61   1HB   CYS  10          2HB       CYS  10  -1.120  -6.760 -10.018
   62   2HB   CYS  10          1HB       CYS  10  -2.257  -6.564  -8.695
   63    H    GLU  11           H        GLU  11   0.500  -4.822  -6.968
   64    HA   GLU  11           HA       GLU  11  -0.278  -5.571  -4.231
   65   1HB   GLU  11          2HB       GLU  11   1.864  -4.431  -4.635
   66   2HB   GLU  11          1HB       GLU  11   1.012  -3.069  -5.367
   67   1HG   GLU  11          2HG       GLU  11   1.586  -2.561  -3.029
   68   2HG   GLU  11          1HG       GLU  11  -0.162  -2.672  -3.213
   69    H    ARG  12           H        ARG  12  -1.458  -3.595  -6.859
   70    HA   ARG  12           HA       ARG  12  -3.461  -2.330  -5.046
   71   1HB   ARG  12          2HB       ARG  12  -3.504  -1.435  -7.832
   72   2HB   ARG  12          1HB       ARG  12  -3.336  -0.495  -6.351
   73   1HG   ARG  12          2HG       ARG  12  -0.886  -1.733  -6.469
   74   2HG   ARG  12          1HG       ARG  12  -1.246  -1.517  -8.176
   75   1HD   ARG  12          2HD       ARG  12  -0.706   0.647  -8.015
   76   2HD   ARG  12          1HD       ARG  12  -1.980   0.884  -6.833
   77    HE   ARG  12           HE       ARG  12   0.740   1.054  -6.229
   78   1HH1  ARG  12          1HH2      ARG  12  -1.957  -0.816  -5.130
   79   2HH1  ARG  12          2HH2      ARG  12  -1.229  -1.188  -3.607
   80   1HH2  ARG  12          2HH1      ARG  12   1.675   0.572  -4.250
   81   2HH2  ARG  12          1HH1      ARG  12   0.815  -0.405  -3.109
   82    H    CYS  13           H        CYS  13  -3.164  -4.877  -7.260
   83    HA   CYS  13           HA       CYS  13  -6.132  -5.049  -7.431
   84   1HB   CYS  13          2HB       CYS  13  -6.200  -5.129  -9.715
   85   2HB   CYS  13          1HB       CYS  13  -4.722  -4.181  -9.569
   86    H    LYS  14           H        LYS  14  -3.121  -6.554  -6.890
   87    HA   LYS  14           HA       LYS  14  -2.524  -8.766  -6.410
   88   1HB   LYS  14          2HB       LYS  14  -5.511  -8.995  -5.916
   89   2HB   LYS  14          1HB       LYS  14  -4.304 -10.174  -5.406
   90   1HG   LYS  14          2HG       LYS  14  -4.110  -7.269  -4.600
   91   2HG   LYS  14          1HG       LYS  14  -5.047  -8.429  -3.660
   92   1HD   LYS  14          2HD       LYS  14  -3.097  -9.800  -3.271
   93   2HD   LYS  14          1HD       LYS  14  -2.135  -8.838  -4.391
   94   1HE   LYS  14          2HE       LYS  14  -3.393  -7.732  -1.866
   95   2HE   LYS  14          1HE       LYS  14  -1.719  -8.276  -1.978
   96   1HZ   LYS  14          1HZ       LYS  14  -1.424  -6.107  -2.499
   97   2HZ   LYS  14          2HZ       LYS  14  -2.991  -5.914  -3.128
   98   3HZ   LYS  14          3HZ       LYS  14  -1.786  -6.670  -4.057
   99    H    GLY  15           H        GLY  15  -2.895  -8.151  -9.145
  100   1HA   GLY  15          2HA       GLY  15  -4.370 -10.450 -10.291
  101   2HA   GLY  15          1HA       GLY  15  -3.633  -9.137 -11.209
  102    H    GLY  16           H        GLY  16  -3.307 -12.342 -10.589
  103   1HA   GLY  16          2HA       GLY  16  -0.559 -12.736 -10.034
  104   2HA   GLY  16          1HA       GLY  16  -1.559 -13.865 -10.949
  105    H    PHE  17           H        PHE  17   0.850 -11.405 -11.153
  106    HA   PHE  17           HA       PHE  17   0.770 -11.552 -14.137
  107   1HB   PHE  17          2HB       PHE  17   2.332  -9.487 -13.918
  108   2HB   PHE  17          1HB       PHE  17   0.616  -9.273 -13.619
  109    HD1  PHE  17           HD1      PHE  17   1.114  -7.212 -12.304
  110    HD2  PHE  17           HD2      PHE  17   2.608 -11.064 -11.099
  111    HE1  PHE  17           HE1      PHE  17   1.647  -6.316 -10.069
  112    HE2  PHE  17           HE2      PHE  17   3.132 -10.154  -8.868
  113    HZ   PHE  17           HZ       PHE  17   2.648  -7.789  -8.351
  114    H    ALA  18           H        ALA  18   3.316 -10.871 -14.802
  115    HA   ALA  18           HA       ALA  18   5.372 -12.152 -13.281
  116   1HB   ALA  18          1HB       ALA  18   5.403 -13.957 -15.427
  117   2HB   ALA  18          2HB       ALA  18   3.718 -13.910 -14.904
  118   3HB   ALA  18          3HB       ALA  18   4.989 -14.321 -13.752
  119    HA   PRO  19           HA       PRO  19   6.953 -11.315 -17.804
  120   1HB   PRO  19          2HB       PRO  19   4.853  -9.912 -19.198
  121   2HB   PRO  19          1HB       PRO  19   5.609 -11.453 -19.627
  122   1HG   PRO  19          2HG       PRO  19   2.964 -11.031 -18.568
  123   2HG   PRO  19          1HG       PRO  19   3.732 -12.569 -18.983
  124   1HD   PRO  19          2HD       PRO  19   3.172 -11.533 -16.358
  125   2HD   PRO  19          1HD       PRO  19   3.955 -13.068 -16.778
  126    H    ALA  20           H        ALA  20   8.100  -9.389 -18.111
  127    HA   ALA  20           HA       ALA  20   7.862  -7.269 -16.263
  128   1HB   ALA  20          1HB       ALA  20   9.909  -7.707 -17.566
  129   2HB   ALA  20          2HB       ALA  20   9.395  -6.030 -17.752
  130   3HB   ALA  20          3HB       ALA  20   9.085  -7.196 -19.039
  131    H    GLU  21           H        GLU  21   6.044  -7.864 -19.136
  132    HA   GLU  21           HA       GLU  21   5.254  -5.122 -19.659
  133   1HB   GLU  21          2HB       GLU  21   5.087  -6.847 -21.404
  134   2HB   GLU  21          1HB       GLU  21   3.943  -7.756 -20.417
  135   1HG   GLU  21          2HG       GLU  21   3.192  -4.933 -20.849
  136   2HG   GLU  21          1HG       GLU  21   3.226  -5.907 -22.318
  137    H    LYS  22           H        LYS  22   4.068  -7.767 -17.670
  138    HA   LYS  22           HA       LYS  22   1.820  -6.047 -16.737
  139   1HB   LYS  22          2HB       LYS  22   2.280  -9.025 -16.376
  140   2HB   LYS  22          1HB       LYS  22   0.859  -8.133 -15.831
  141   1HG   LYS  22          2HG       LYS  22   0.324  -7.519 -18.143
  142   2HG   LYS  22          1HG       LYS  22   1.776  -8.340 -18.715
  143   1HD   LYS  22          2HD       LYS  22   0.815 -10.443 -17.560
  144   2HD   LYS  22          1HD       LYS  22  -0.710  -9.557 -17.510
  145   1HE   LYS  22          2HE       LYS  22   0.900 -10.270 -19.977
  146   2HE   LYS  22          1HE       LYS  22  -0.693 -10.884 -19.533
  147   1HZ   LYS  22          1HZ       LYS  22  -1.302  -9.225 -20.935
  148   2HZ   LYS  22          2HZ       LYS  22   0.067  -8.272 -20.606
  149   3HZ   LYS  22          3HZ       LYS  22  -1.225  -8.320 -19.503
  150    H    ILE  23           H        ILE  23   4.851  -7.413 -15.815
  151    HA   ILE  23           HA       ILE  23   4.312  -6.955 -12.932
  152    HB   ILE  23           HB       ILE  23   6.149  -8.640 -14.487
  153   1HG1  ILE  23          2HG1      ILE  23   4.346  -9.370 -12.873
  154   2HG1  ILE  23          1HG1      ILE  23   5.929 -10.081 -12.569
  155   1HG2  ILE  23          1HG2      ILE  23   7.933  -7.250 -13.768
  156   2HG2  ILE  23          2HG2      ILE  23   7.891  -8.567 -12.598
  157   3HG2  ILE  23          3HG2      ILE  23   7.206  -6.997 -12.181
  158   1HD1  ILE  23          1HD1      ILE  23   5.153  -9.385 -10.435
  159   2HD1  ILE  23          2HD1      ILE  23   4.567  -7.844 -11.059
  160   3HD1  ILE  23          3HD1      ILE  23   6.300  -8.140 -10.919
  161    H    VAL  24           H        VAL  24   4.821  -5.032 -12.080
  162    HA   VAL  24           HA       VAL  24   7.201  -3.559 -13.098
  163    HB   VAL  24           HB       VAL  24   4.687  -2.047 -12.402
  164   1HG1  VAL  24          1HG1      VAL  24   5.726  -0.347 -13.837
  165   2HG1  VAL  24          2HG1      VAL  24   7.032  -1.463 -14.236
  166   3HG1  VAL  24          3HG1      VAL  24   6.855  -0.866 -12.586
  167   1HG2  VAL  24          1HG2      VAL  24   5.404  -3.221 -15.113
  168   2HG2  VAL  24          2HG2      VAL  24   4.187  -1.969 -14.867
  169   3HG2  VAL  24          3HG2      VAL  24   3.959  -3.570 -14.164
  170    H    ASN  25           H        ASN  25   8.472  -3.284 -11.312
  171    HA   ASN  25           HA       ASN  25   7.106  -3.100  -8.664
  172   1HB   ASN  25          2HB       ASN  25   8.612  -4.924  -8.635
  173   2HB   ASN  25          1HB       ASN  25   9.870  -4.013  -9.473
  174   1HD2  ASN  25          1HD2      ASN  25  10.925  -2.223  -8.205
  175   2HD2  ASN  25          2HD2      ASN  25  10.954  -2.310  -6.511
  176    H    SER  26           H        SER  26   7.630  -1.431  -7.253
  177    HA   SER  26           HA       SER  26   9.573   0.628  -8.072
  178   1HB   SER  26          2HB       SER  26   8.060   2.359  -8.421
  179   2HB   SER  26          1HB       SER  26   7.134   1.007  -9.073
  180    HG   SER  26           HG       SER  26   6.611   0.964  -6.548
  181    H    ASN  27           H        ASN  27  10.556   1.374  -6.243
  182    HA   ASN  27           HA       ASN  27  10.922   1.883  -3.986
  183   1HB   ASN  27          2HB       ASN  27   9.171   2.813  -2.898
  184   2HB   ASN  27          1HB       ASN  27   8.217   2.431  -4.326
  185   1HD2  ASN  27          1HD2      ASN  27   6.354   1.267  -3.832
  186   2HD2  ASN  27          2HD2      ASN  27   6.181   0.202  -2.522
  187    H    GLY  28           H        GLY  28   8.832  -0.877  -4.636
  188   1HA   GLY  28          2HA       GLY  28  10.391  -2.960  -3.840
  189   2HA   GLY  28          1HA       GLY  28   9.788  -2.359  -2.292
  190    H    GLU  29           H        GLU  29   7.303  -1.443  -3.864
  191    HA   GLU  29           HA       GLU  29   5.777  -3.927  -3.441
  192   1HB   GLU  29          2HB       GLU  29   5.179  -1.042  -3.793
  193   2HB   GLU  29          1HB       GLU  29   3.961  -2.152  -4.415
  194   1HG   GLU  29          2HG       GLU  29   3.449  -2.982  -2.325
  195   2HG   GLU  29          1HG       GLU  29   5.071  -2.689  -1.693
  196    H    LEU  30           H        LEU  30   4.013  -4.333  -5.234
  197    HA   LEU  30           HA       LEU  30   5.387  -4.259  -7.899
  198   1HB   LEU  30          2HB       LEU  30   3.967  -6.396  -6.416
  199   2HB   LEU  30          1HB       LEU  30   3.559  -6.262  -8.124
  200    HG   LEU  30           HG       LEU  30   5.863  -6.504  -8.778
  201   1HD1  LEU  30          1HD1      LEU  30   6.371  -6.185  -5.821
  202   2HD1  LEU  30          2HD1      LEU  30   7.111  -5.318  -7.167
  203   3HD1  LEU  30          3HD1      LEU  30   7.549  -6.995  -6.854
  204   1HD2  LEU  30          1HD2      LEU  30   4.950  -8.478  -6.674
  205   2HD2  LEU  30          2HD2      LEU  30   6.409  -8.735  -7.630
  206   3HD2  LEU  30          3HD2      LEU  30   4.841  -8.630  -8.427
  207    H    TYR  31           H        TYR  31   4.174  -3.556  -9.650
  208    HA   TYR  31           HA       TYR  31   1.287  -2.955  -9.228
  209   1HB   TYR  31          2HB       TYR  31   3.058  -0.944 -10.607
  210   2HB   TYR  31          1HB       TYR  31   1.463  -0.690  -9.914
  211    HD1  TYR  31           HD1      TYR  31   4.897  -1.783  -8.791
  212    HD2  TYR  31           HD2      TYR  31   1.368   0.504  -7.929
  213    HE1  TYR  31           HE1      TYR  31   5.955  -0.938  -6.723
  214    HE2  TYR  31           HE2      TYR  31   2.425   1.349  -5.852
  215    HH   TYR  31           HH       TYR  31   5.052   1.668  -5.142
  216    H    HIS  32           H        HIS  32   0.124  -2.749 -11.213
  217    HA   HIS  32           HA       HIS  32   1.297  -4.287 -13.452
  218   1HB   HIS  32          2HB       HIS  32  -1.432  -3.432 -12.615
  219   2HB   HIS  32          1HB       HIS  32  -1.154  -3.555 -14.347
  220    HD2  HIS  32           HD2      HIS  32   0.026  -6.276 -15.010
  221    HE1  HIS  32           HE1      HIS  32  -2.121  -8.024 -11.825
  222    HE2  HIS  32           HE2      HIS  32  -0.843  -8.506 -13.965
  223    H    GLU  33           H        GLU  33   0.631  -3.267 -15.709
  224    HA   GLU  33           HA       GLU  33   1.840  -0.612 -15.767
  225   1HB   GLU  33          2HB       GLU  33   1.172  -0.842 -18.294
  226   2HB   GLU  33          1HB       GLU  33   2.446  -1.882 -17.659
  227   1HG   GLU  33          2HG       GLU  33   1.014  -3.761 -17.531
  228   2HG   GLU  33          1HG       GLU  33  -0.440  -2.770 -17.644
  229    H    GLN  34           H        GLN  34  -0.922  -1.323 -14.568
  230    HA   GLN  34           HA       GLN  34  -2.183   1.183 -15.232
  231   1HB   GLN  34          2HB       GLN  34  -2.758  -0.587 -17.142
  232   2HB   GLN  34          1HB       GLN  34  -3.933  -1.141 -15.950
  233   1HG   GLN  34          2HG       GLN  34  -4.123   1.677 -15.947
  234   2HG   GLN  34          1HG       GLN  34  -4.032   1.206 -17.645
  235   1HE2  GLN  34          1HE2      GLN  34  -5.654  -0.091 -14.678
  236   2HE2  GLN  34          2HE2      GLN  34  -7.149  -0.347 -15.439
  237    H    CYS  35           H        CYS  35  -1.304   0.086 -12.861
  238    HA   CYS  35           HA       CYS  35  -3.884  -0.304 -11.409
  239   1HB   CYS  35          2HB       CYS  35  -1.319  -1.857 -11.143
  240   2HB   CYS  35          1HB       CYS  35  -2.417  -1.707  -9.773
  241    H    PHE  36           H        PHE  36  -0.952   1.364 -11.801
  242    HA   PHE  36           HA       PHE  36  -0.252   2.240  -9.214
  243   1HB   PHE  36          2HB       PHE  36  -0.239   3.622 -11.900
  244   2HB   PHE  36          1HB       PHE  36   0.301   4.443 -10.449
  245    HD1  PHE  36           HD1      PHE  36   0.790   1.211 -12.277
  246    HD2  PHE  36           HD2      PHE  36   2.520   4.263  -9.815
  247    HE1  PHE  36           HE1      PHE  36   3.003   0.117 -12.481
  248    HE2  PHE  36           HE2      PHE  36   4.739   3.169 -10.007
  249    HZ   PHE  36           HZ       PHE  36   4.980   1.094 -11.345
  250    H    VAL  37           H        VAL  37  -2.000   2.704  -7.794
  251    HA   VAL  37           HA       VAL  37  -3.942   4.770  -8.740
  252    HB   VAL  37           HB       VAL  37  -5.208   3.896  -6.580
  253   1HG1  VAL  37          1HG1      VAL  37  -5.080   2.432  -9.234
  254   2HG1  VAL  37          2HG1      VAL  37  -6.137   3.782  -8.825
  255   3HG1  VAL  37          3HG1      VAL  37  -6.362   2.221  -8.041
  256   1HG2  VAL  37          1HG2      VAL  37  -3.077   2.285  -6.365
  257   2HG2  VAL  37          2HG2      VAL  37  -4.068   1.273  -7.406
  258   3HG2  VAL  37          3HG2      VAL  37  -4.679   1.792  -5.836
  259    H    CYS  38           H        CYS  38  -4.771   6.217  -7.031
  260    HA   CYS  38           HA       CYS  38  -2.534   7.360  -5.489
  261   1HB   CYS  38          2HB       CYS  38  -4.153   8.749  -6.857
  262   2HB   CYS  38          1HB       CYS  38  -5.403   8.322  -5.692
  263    H    ALA  39           H        ALA  39  -2.233   6.774  -3.399
  264    HA   ALA  39           HA       ALA  39  -3.731   4.933  -1.944
  265   1HB   ALA  39          1HB       ALA  39  -1.837   7.114  -1.159
  266   2HB   ALA  39          2HB       ALA  39  -1.683   5.369  -0.957
  267   3HB   ALA  39          3HB       ALA  39  -2.738   6.289   0.113
  268    H    GLN  40           H        GLN  40  -4.601   8.222  -2.592
  269    HA   GLN  40           HA       GLN  40  -6.672   8.124  -0.438
  270   1HB   GLN  40          2HB       GLN  40  -6.201  10.628  -1.979
  271   2HB   GLN  40          1HB       GLN  40  -6.552  10.408  -0.265
  272   1HG   GLN  40          2HG       GLN  40  -3.909   9.703  -1.574
  273   2HG   GLN  40          1HG       GLN  40  -4.222  11.191  -0.696
  274   1HE2  GLN  40          1HE2      GLN  40  -2.619   8.469  -0.187
  275   2HE2  GLN  40          2HE2      GLN  40  -2.972   8.161   1.446
  276    H    CYS  41           H        CYS  41  -6.562   9.798  -3.604
  277    HA   CYS  41           HA       CYS  41  -9.391   9.398  -4.022
  278   1HB   CYS  41          2HB       CYS  41  -9.095  10.515  -6.090
  279   2HB   CYS  41          1HB       CYS  41  -7.887  11.230  -5.026
  280    H    PHE  42           H        PHE  42  -6.779   7.296  -4.339
  281    HA   PHE  42           HA       PHE  42  -6.552   5.177  -5.328
  282   1HB   PHE  42          2HB       PHE  42  -9.573   5.269  -5.548
  283   2HB   PHE  42          1HB       PHE  42  -8.552   3.835  -5.480
  284    HD1  PHE  42           HD1      PHE  42 -10.752   5.634  -3.574
  285    HD2  PHE  42           HD2      PHE  42  -6.743   4.104  -3.356
  286    HE1  PHE  42           HE1      PHE  42 -10.877   5.656  -1.097
  287    HE2  PHE  42           HE2      PHE  42  -6.868   4.128  -0.881
  288    HZ   PHE  42           HZ       PHE  42  -8.935   4.903   0.250
  289    H    GLN  43           H        GLN  43  -6.774   7.679  -7.045
  290    HA   GLN  43           HA       GLN  43  -8.055   6.876  -9.520
  291   1HB   GLN  43          2HB       GLN  43  -7.726   9.231  -9.158
  292   2HB   GLN  43          1HB       GLN  43  -6.009   9.007  -8.838
  293   1HG   GLN  43          2HG       GLN  43  -6.445   9.907 -11.124
  294   2HG   GLN  43          1HG       GLN  43  -5.616   8.350 -11.164
  295   1HE2  GLN  43          1HE2      GLN  43  -6.578   6.795 -12.491
  296   2HE2  GLN  43          2HE2      GLN  43  -8.189   6.833 -13.024
  297    H    GLN  44           H        GLN  44  -7.280   5.154 -10.689
  298    HA   GLN  44           HA       GLN  44  -4.576   4.196 -10.395
  299   1HB   GLN  44          2HB       GLN  44  -5.171   2.692 -12.293
  300   2HB   GLN  44          1HB       GLN  44  -6.306   2.611 -10.961
  301   1HG   GLN  44          2HG       GLN  44  -7.971   3.122 -12.394
  302   2HG   GLN  44          1HG       GLN  44  -7.216   4.691 -12.665
  303   1HE2  GLN  44          1HE2      GLN  44  -8.419   2.252 -14.432
  304   2HE2  GLN  44          2HE2      GLN  44  -7.339   2.238 -15.741
  305    H    PHE  45           H        PHE  45  -3.330   3.792 -12.572
  306    HA   PHE  45           HA       PHE  45  -3.547   5.908 -14.558
  307   1HB   PHE  45          2HB       PHE  45  -2.074   6.451 -12.189
  308   2HB   PHE  45          1HB       PHE  45  -0.887   6.197 -13.455
  309    HD1  PHE  45           HD1      PHE  45  -0.177   8.521 -13.407
  310    HD2  PHE  45           HD2      PHE  45  -4.262   7.517 -14.281
  311    HE1  PHE  45           HE1      PHE  45  -0.564  10.816 -14.252
  312    HE2  PHE  45           HE2      PHE  45  -4.643   9.807 -15.126
  313    HZ   PHE  45           HZ       PHE  45  -2.797  11.460 -15.113
  314    HA   PRO  46           HA       PRO  46  -1.892   2.385 -16.676
  315   1HB   PRO  46          2HB       PRO  46  -1.366   4.021 -18.974
  316   2HB   PRO  46          1HB       PRO  46  -2.681   2.867 -18.733
  317   1HG   PRO  46          2HG       PRO  46  -2.845   5.747 -18.736
  318   2HG   PRO  46          1HG       PRO  46  -4.158   4.584 -18.509
  319   1HD   PRO  46          2HD       PRO  46  -2.962   6.286 -16.525
  320   2HD   PRO  46          1HD       PRO  46  -4.245   5.082 -16.292
  321    H    GLU  47           H        GLU  47   0.100   1.933 -15.767
  322    HA   GLU  47           HA       GLU  47   2.387   2.280 -15.183
  323   1HB   GLU  47          2HB       GLU  47   3.757   2.090 -17.319
  324   2HB   GLU  47          1HB       GLU  47   2.532   0.844 -17.095
  325   1HG   GLU  47          2HG       GLU  47   1.014   1.984 -18.609
  326   2HG   GLU  47          1HG       GLU  47   2.112   3.358 -18.738
  327    H    GLY  48           H        GLY  48   1.149   4.762 -14.944
  328   1HA   GLY  48          2HA       GLY  48   2.669   6.728 -16.510
  329   2HA   GLY  48          1HA       GLY  48   1.488   7.092 -15.253
  330    H    LEU  49           H        LEU  49   3.172   4.931 -13.650
  331    HA   LEU  49           HA       LEU  49   4.675   5.187 -11.850
  332   1HB   LEU  49          2HB       LEU  49   6.092   5.028 -14.079
  333   2HB   LEU  49          1HB       LEU  49   6.461   6.716 -13.731
  334    HG   LEU  49           HG       LEU  49   6.718   4.730 -11.502
  335   1HD1  LEU  49          1HD1      LEU  49   9.032   4.215 -12.215
  336   2HD1  LEU  49          2HD1      LEU  49   8.758   5.097 -13.718
  337   3HD1  LEU  49          3HD1      LEU  49   7.850   3.622 -13.382
  338   1HD2  LEU  49          1HD2      LEU  49   8.186   7.239 -12.374
  339   2HD2  LEU  49          2HD2      LEU  49   8.662   6.261 -10.986
  340   3HD2  LEU  49          3HD2      LEU  49   7.096   7.071 -10.997
  341    H    PHE  50           H        PHE  50   3.001   6.810 -11.054
  342    HA   PHE  50           HA       PHE  50   3.679   9.627 -11.363
  343   1HB   PHE  50          2HB       PHE  50   1.806   9.900  -9.654
  344   2HB   PHE  50          1HB       PHE  50   1.361   9.175 -11.189
  345    HD1  PHE  50           HD1      PHE  50   3.244   7.242  -8.619
  346    HD2  PHE  50           HD2      PHE  50  -0.618   8.089 -10.305
  347    HE1  PHE  50           HE1      PHE  50   2.283   5.314  -7.407
  348    HE2  PHE  50           HE2      PHE  50  -1.565   6.157  -9.086
  349    HZ   PHE  50           HZ       PHE  50  -0.114   4.765  -7.644
  350    H    TYR  51           H        TYR  51   2.751   9.505  -8.241
  351    HA   TYR  51           HA       TYR  51   5.574   9.632  -7.346
  352   1HB   TYR  51          2HB       TYR  51   3.102  11.071  -6.622
  353   2HB   TYR  51          1HB       TYR  51   4.112  10.618  -5.249
  354    HD1  TYR  51           HD1      TYR  51   6.534  11.272  -5.214
  355    HD2  TYR  51           HD2      TYR  51   3.782  12.795  -8.145
  356    HE1  TYR  51           HE1      TYR  51   8.122  13.092  -5.753
  357    HE2  TYR  51           HE2      TYR  51   5.374  14.623  -8.683
  358    HH   TYR  51           HH       TYR  51   7.365  15.815  -7.220
  359    H    GLU  52           H        GLU  52   5.053   7.121  -7.615
  360    HA   GLU  52           HA       GLU  52   3.674   5.865  -5.400
  361   1HB   GLU  52          2HB       GLU  52   4.613   3.775  -6.265
  362   2HB   GLU  52          1HB       GLU  52   4.040   4.748  -7.612
  363   1HG   GLU  52          2HG       GLU  52   6.925   4.762  -6.689
  364   2HG   GLU  52          1HG       GLU  52   6.319   3.708  -7.960
  365    H    PHE  53           H        PHE  53   4.588   5.085  -3.454
  366    HA   PHE  53           HA       PHE  53   7.511   5.497  -3.065
  367   1HB   PHE  53          2HB       PHE  53   5.542   7.284  -2.097
  368   2HB   PHE  53          1HB       PHE  53   6.084   6.354  -0.701
  369    HD1  PHE  53           HD1      PHE  53   8.360   6.505   0.114
  370    HD2  PHE  53           HD2      PHE  53   7.151   8.639  -3.417
  371    HE1  PHE  53           HE1      PHE  53  10.455   7.826   0.193
  372    HE2  PHE  53           HE2      PHE  53   9.247   9.958  -3.334
  373    HZ   PHE  53           HZ       PHE  53  10.900   9.552  -1.531
  374    H    GLU  54           H        GLU  54   7.957   4.780  -0.600
  375    HA   GLU  54           HA       GLU  54   7.360   1.967  -0.507
  376   1HB   GLU  54          2HB       GLU  54   8.533   3.783   1.620
  377   2HB   GLU  54          1HB       GLU  54   8.553   2.021   1.662
  378   1HG   GLU  54          2HG       GLU  54  10.646   2.466   0.741
  379   2HG   GLU  54          1HG       GLU  54   9.673   2.271  -0.715
  380    H    GLY  55           H        GLY  55   5.422   1.161   0.066
  381   1HA   GLY  55          2HA       GLY  55   3.498   0.767   1.350
  382   2HA   GLY  55          1HA       GLY  55   4.214   1.777   2.606
  383    H    ARG  56           H        ARG  56   4.304   3.643  -0.097
  384    HA   ARG  56           HA       ARG  56   1.544   4.713   0.346
  385   1HB   ARG  56          2HB       ARG  56   4.026   6.399  -0.088
  386   2HB   ARG  56          1HB       ARG  56   2.396   6.978   0.256
  387   1HG   ARG  56          2HG       ARG  56   2.984   5.151   2.319
  388   2HG   ARG  56          1HG       ARG  56   4.451   6.107   2.110
  389   1HD   ARG  56          2HD       ARG  56   3.164   7.355   3.652
  390   2HD   ARG  56          1HD       ARG  56   2.886   8.163   2.109
  391    HE   ARG  56           HE       ARG  56   0.843   6.290   2.267
  392   1HH1  ARG  56          1HH2      ARG  56   2.067   8.834   4.255
  393   2HH1  ARG  56          2HH2      ARG  56   0.530   9.188   4.970
  394   1HH2  ARG  56          2HH1      ARG  56  -1.161   6.744   3.192
  395   2HH2  ARG  56          1HH1      ARG  56  -1.295   8.007   4.368
  396    H    LYS  57           H        LYS  57   1.046   6.361  -1.499
  397    HA   LYS  57           HA       LYS  57   2.342   6.021  -4.051
  398   1HB   LYS  57          2HB       LYS  57   0.349   4.825  -5.118
  399   2HB   LYS  57          1HB       LYS  57   1.382   3.821  -4.101
  400   1HG   LYS  57          2HG       LYS  57  -0.265   4.528  -2.184
  401   2HG   LYS  57          1HG       LYS  57  -1.357   4.916  -3.511
  402   1HD   LYS  57          2HD       LYS  57   0.010   2.286  -3.669
  403   2HD   LYS  57          1HD       LYS  57  -1.205   2.457  -2.401
  404   1HE   LYS  57          2HE       LYS  57  -2.486   3.613  -4.539
  405   2HE   LYS  57          1HE       LYS  57  -1.539   2.345  -5.323
  406   1HZ   LYS  57          1HZ       LYS  57  -3.115   0.949  -4.664
  407   2HZ   LYS  57          2HZ       LYS  57  -3.847   2.114  -3.668
  408   3HZ   LYS  57          3HZ       LYS  57  -2.568   1.168  -3.074
  409    H    TYR  58           H        TYR  58   1.761   7.789  -5.265
  410    HA   TYR  58           HA       TYR  58  -0.921   8.996  -4.838
  411   1HB   TYR  58          2HB       TYR  58   1.700  10.493  -4.554
  412   2HB   TYR  58          1HB       TYR  58   0.106  11.248  -4.565
  413    HD1  TYR  58           HD1      TYR  58   2.612   9.622  -2.581
  414    HD2  TYR  58           HD2      TYR  58  -1.596  10.487  -2.768
  415    HE1  TYR  58           HE1      TYR  58   2.418   9.201  -0.147
  416    HE2  TYR  58           HE2      TYR  58  -1.781  10.075  -0.333
  417    HH   TYR  58           HH       TYR  58   0.537  10.144   1.735
  418    H    CYS  59           H        CYS  59  -1.744   9.840  -6.699
  419    HA   CYS  59           HA       CYS  59  -0.074   9.675  -9.123
  420   1HB   CYS  59          2HB       CYS  59  -2.211  10.224 -10.309
  421   2HB   CYS  59          1HB       CYS  59  -2.336   8.780  -9.299
  422    H    GLU  60           H        GLU  60  -0.349  11.642 -10.681
  423    HA   GLU  60           HA       GLU  60   0.880  13.892  -9.556
  424   1HB   GLU  60          2HB       GLU  60   0.677  13.452 -12.008
  425   2HB   GLU  60          1HB       GLU  60  -1.023  13.912 -11.924
  426   1HG   GLU  60          2HG       GLU  60   0.477  15.779 -12.678
  427   2HG   GLU  60          1HG       GLU  60  -0.438  16.164 -11.222
  428    H    HIS  61           H        HIS  61  -2.444  12.932  -9.367
  429    HA   HIS  61           HA       HIS  61  -3.605  15.516  -8.871
  430   1HB   HIS  61          2HB       HIS  61  -5.343  14.069  -9.198
  431   2HB   HIS  61          1HB       HIS  61  -4.435  12.691  -8.586
  432    HD2  HIS  61           HD2      HIS  61  -6.177  15.866  -6.904
  433    HE1  HIS  61           HE1      HIS  61  -6.458  12.581  -4.270
  434    HE2  HIS  61           HE2      HIS  61  -7.066  15.021  -4.602
  435    H    ASP  62           H        ASP  62  -3.096  12.943  -6.433
  436    HA   ASP  62           HA       ASP  62  -3.366  14.583  -4.178
  437   1HB   ASP  62          2HB       ASP  62  -2.586  11.920  -4.683
  438   2HB   ASP  62          1HB       ASP  62  -1.303  12.629  -3.708
  439    H    PHE  63           H        PHE  63  -0.411  13.874  -6.032
  440    HA   PHE  63           HA       PHE  63   1.295  15.397  -4.293
  441   1HB   PHE  63          2HB       PHE  63   1.690  13.681  -6.427
  442   2HB   PHE  63          1HB       PHE  63   2.209  15.240  -7.066
  443    HD1  PHE  63           HD1      PHE  63   4.207  16.307  -6.280
  444    HD2  PHE  63           HD2      PHE  63   2.672  12.834  -4.271
  445    HE1  PHE  63           HE1      PHE  63   6.290  16.159  -4.941
  446    HE2  PHE  63           HE2      PHE  63   4.753  12.684  -2.935
  447    HZ   PHE  63           HZ       PHE  63   6.563  14.348  -3.269
  448    H    GLN  64           H        GLN  64  -0.568  16.305  -7.220
  449    HA   GLN  64           HA       GLN  64   0.691  18.925  -7.338
  450   1HB   GLN  64          2HB       GLN  64  -0.842  19.466  -9.055
  451   2HB   GLN  64          1HB       GLN  64  -0.567  17.742  -9.258
  452   1HG   GLN  64          2HG       GLN  64  -2.792  17.430  -9.100
  453   2HG   GLN  64          1HG       GLN  64  -2.705  17.963  -7.424
  454   1HE2  GLN  64          1HE2      GLN  64  -3.024  20.332  -7.016
  455   2HE2  GLN  64          2HE2      GLN  64  -3.916  21.254  -8.128
  456    H    MET  65           H        MET  65  -1.763  17.504  -5.424
  457    HA   MET  65           HA       MET  65  -3.171  19.934  -4.699
  458   1HB   MET  65          2HB       MET  65  -2.921  17.214  -3.377
  459   2HB   MET  65          1HB       MET  65  -3.882  18.521  -2.687
  460   1HG   MET  65          2HG       MET  65  -4.313  17.787  -5.562
  461   2HG   MET  65          1HG       MET  65  -5.000  16.752  -4.310
  462   1HE   MET  65          1HE       MET  65  -7.392  17.107  -4.991
  463   2HE   MET  65          2HE       MET  65  -6.837  18.057  -6.367
  464   3HE   MET  65          3HE       MET  65  -8.137  18.671  -5.350
  465    H    LEU  66           H        LEU  66  -0.404  18.114  -3.487
  466    HA   LEU  66           HA       LEU  66   0.055  19.853  -1.185
  467   1HB   LEU  66          2HB       LEU  66   2.244  18.248  -2.487
  468   2HB   LEU  66          1HB       LEU  66   1.952  18.536  -0.773
  469    HG   LEU  66           HG       LEU  66   0.325  16.752  -2.602
  470   1HD1  LEU  66          1HD1      LEU  66   2.042  16.099  -0.188
  471   2HD1  LEU  66          2HD1      LEU  66   2.525  15.848  -1.866
  472   3HD1  LEU  66          3HD1      LEU  66   1.170  14.941  -1.193
  473   1HD2  LEU  66          1HD2      LEU  66  -0.773  16.132  -0.353
  474   2HD2  LEU  66          2HD2      LEU  66  -1.225  17.689  -1.046
  475   3HD2  LEU  66          3HD2      LEU  66  -0.058  17.617   0.274
  476    H    PHE  67           H        PHE  67   0.716  19.855  -4.553
  477    HA   PHE  67           HA       PHE  67   1.742  21.385  -5.963
  478   1HB   PHE  67          2HB       PHE  67   0.408  22.971  -4.416
  479   2HB   PHE  67          1HB       PHE  67   1.949  23.280  -3.615
  480    HD1  PHE  67           HD1      PHE  67   3.606  24.679  -4.612
  481    HD2  PHE  67           HD2      PHE  67   0.191  23.419  -6.896
  482    HE1  PHE  67           HE1      PHE  67   4.224  26.265  -6.414
  483    HE2  PHE  67           HE2      PHE  67   0.811  25.007  -8.697
  484    HZ   PHE  67           HZ       PHE  67   2.827  26.430  -8.456
  485    H    ALA  68           H        ALA  68   3.567  19.814  -5.821
  486    HA   ALA  68           HA       ALA  68   5.984  21.145  -4.684
  487   1HB   ALA  68          1HB       ALA  68   6.836  18.835  -4.100
  488   2HB   ALA  68          2HB       ALA  68   5.215  18.224  -4.430
  489   3HB   ALA  68          3HB       ALA  68   5.473  19.377  -3.120
  490    HA   PRO  69           HA       PRO  69   6.358  20.107  -9.197
  491   1HB   PRO  69          2HB       PRO  69   7.855  22.541  -9.472
  492   2HB   PRO  69          1HB       PRO  69   6.239  22.188 -10.097
  493   1HG   PRO  69          2HG       PRO  69   6.940  23.929  -7.903
  494   2HG   PRO  69          1HG       PRO  69   5.328  23.587  -8.548
  495   1HD   PRO  69          2HD       PRO  69   6.463  22.675  -6.060
  496   2HD   PRO  69          1HD       PRO  69   4.847  22.333  -6.713
  497    H    CYS  70           H        CYS  70   8.374  20.545  -6.518
  498    HA   CYS  70           HA       CYS  70  10.600  19.167  -7.900
  499   1HB   CYS  70          2HB       CYS  70  11.061  21.642  -8.003
  500   2HB   CYS  70          1HB       CYS  70  11.058  21.663  -6.239
  501    HG   CYS  70           HG       CYS  70  13.005  19.641  -6.697
  Start of MODEL    3
    1    H    MET   1           1H       MET   1  11.852 -29.479 -10.711
    2    HA   MET   1           HA       MET   1  11.515 -29.115  -8.153
    3   1HB   MET   1          2HB       MET   1  13.347 -27.580 -10.015
    4   2HB   MET   1          1HB       MET   1  13.533 -27.560  -8.261
    5   1HG   MET   1          2HG       MET   1  14.515 -29.591  -8.267
    6   2HG   MET   1          1HG       MET   1  13.221 -30.279  -9.248
    7   1HE   MET   1          1HE       MET   1  15.929 -27.421  -9.764
    8   2HE   MET   1          2HE       MET   1  17.151 -28.372 -10.602
    9   3HE   MET   1          3HE       MET   1  16.656 -28.828  -8.975
   10    H    ALA   2           H        ALA   2  11.058 -27.475  -6.642
   11    HA   ALA   2           HA       ALA   2   9.247 -25.377  -7.573
   12   1HB   ALA   2          1HB       ALA   2   8.817 -26.531  -5.446
   13   2HB   ALA   2          2HB       ALA   2   9.081 -24.811  -5.159
   14   3HB   ALA   2          3HB       ALA   2  10.365 -25.970  -4.812
   15    H    ASN   3           H        ASN   3   9.795 -23.281  -7.983
   16    HA   ASN   3           HA       ASN   3  12.605 -22.492  -7.886
   17   1HB   ASN   3          2HB       ASN   3  11.780 -20.358  -8.840
   18   2HB   ASN   3          1HB       ASN   3  11.149 -21.746  -9.728
   19   1HD2  ASN   3          1HD2      ASN   3  10.270 -19.141  -7.497
   20   2HD2  ASN   3          2HD2      ASN   3   8.591 -19.357  -7.628
   21    H    ALA   4           H        ALA   4  13.214 -20.351  -6.843
   22    HA   ALA   4           HA       ALA   4  12.353 -20.380  -4.043
   23   1HB   ALA   4          1HB       ALA   4  14.063 -18.618  -3.757
   24   2HB   ALA   4          2HB       ALA   4  14.273 -18.539  -5.506
   25   3HB   ALA   4          3HB       ALA   4  14.720 -20.003  -4.630
   26    H    LEU   5           H        LEU   5  10.076 -19.826  -5.163
   27    HA   LEU   5           HA       LEU   5   8.312 -18.283  -5.128
   28   1HB   LEU   5          2HB       LEU   5   9.840 -17.393  -3.128
   29   2HB   LEU   5          1HB       LEU   5  10.097 -16.051  -4.243
   30    HG   LEU   5           HG       LEU   5   7.477 -16.139  -4.501
   31   1HD1  LEU   5          1HD1      LEU   5   6.351 -16.862  -2.438
   32   2HD1  LEU   5          2HD1      LEU   5   7.895 -17.382  -1.763
   33   3HD1  LEU   5          3HD1      LEU   5   7.221 -18.213  -3.165
   34   1HD2  LEU   5          1HD2      LEU   5   7.281 -14.559  -2.589
   35   2HD2  LEU   5          2HD2      LEU   5   8.718 -14.239  -3.560
   36   3HD2  LEU   5          3HD2      LEU   5   8.866 -15.079  -2.017
   37    H    ALA   6           H        ALA   6   7.494 -17.242  -6.880
   38    HA   ALA   6           HA       ALA   6   9.064 -15.276  -8.378
   39   1HB   ALA   6          1HB       ALA   6   8.313 -17.930  -9.646
   40   2HB   ALA   6          2HB       ALA   6   9.949 -17.343  -9.352
   41   3HB   ALA   6          3HB       ALA   6   8.918 -16.529 -10.530
   42    H    SER   7           H        SER   7   6.174 -17.340  -8.245
   43    HA   SER   7           HA       SER   7   4.573 -15.708  -9.997
   44   1HB   SER   7          2HB       SER   7   4.001 -18.055  -9.431
   45   2HB   SER   7          1HB       SER   7   3.691 -17.570  -7.767
   46    HG   SER   7           HG       SER   7   1.758 -17.575  -8.905
   47    H    ALA   8           H        ALA   8   3.256 -13.960  -9.526
   48    HA   ALA   8           HA       ALA   8   2.704 -13.178  -6.754
   49   1HB   ALA   8          1HB       ALA   8   4.903 -12.213  -6.921
   50   2HB   ALA   8          2HB       ALA   8   3.753 -10.890  -7.107
   51   3HB   ALA   8          3HB       ALA   8   4.561 -11.562  -8.523
   52    H    THR   9           H        THR   9   1.311 -11.168  -6.730
   53    HA   THR   9           HA       THR   9  -0.105 -10.790  -9.338
   54    HB   THR   9           HB       THR   9  -2.242 -10.803  -8.184
   55    HG1  THR   9           HG1      THR   9  -1.317  -9.911  -6.213
   56   1HG2  THR   9          1HG2      THR   9  -0.661 -13.155  -7.128
   57   2HG2  THR   9          2HG2      THR   9  -1.144 -13.001  -8.817
   58   3HG2  THR   9          3HG2      THR   9  -2.371 -13.113  -7.556
   59    H    CYS  10           H        CYS  10  -1.366  -8.741  -9.393
   60    HA   CYS  10           HA       CYS  10   0.228  -6.493  -8.678
   61   1HB   CYS  10          2HB       CYS  10  -1.543  -6.678 -10.505
   62   2HB   CYS  10          1HB       CYS  10  -2.721  -6.386  -9.237
   63    H    GLU  11           H        GLU  11  -0.437  -4.667  -7.291
   64    HA   GLU  11           HA       GLU  11  -1.175  -5.622  -4.624
   65   1HB   GLU  11          2HB       GLU  11   0.591  -4.057  -4.626
   66   2HB   GLU  11          1HB       GLU  11  -0.224  -3.006  -5.783
   67   1HG   GLU  11          2HG       GLU  11  -1.855  -3.340  -3.402
   68   2HG   GLU  11          1HG       GLU  11  -0.246  -2.776  -2.970
   69    H    ARG  12           H        ARG  12  -2.450  -3.105  -6.837
   70    HA   ARG  12           HA       ARG  12  -4.864  -2.839  -5.184
   71   1HB   ARG  12          2HB       ARG  12  -5.454  -1.036  -6.681
   72   2HB   ARG  12          1HB       ARG  12  -3.740  -0.898  -6.299
   73   1HG   ARG  12          2HG       ARG  12  -3.257  -0.971  -8.489
   74   2HG   ARG  12          1HG       ARG  12  -3.940  -2.591  -8.575
   75   1HD   ARG  12          2HD       ARG  12  -5.688  -0.131  -8.672
   76   2HD   ARG  12          1HD       ARG  12  -4.964  -0.810 -10.129
   77    HE   ARG  12           HE       ARG  12  -6.198  -2.983  -8.929
   78   1HH1  ARG  12          1HH2      ARG  12  -7.128   0.194  -9.902
   79   2HH1  ARG  12          2HH2      ARG  12  -8.768  -0.249 -10.239
   80   1HH2  ARG  12          2HH1      ARG  12  -8.330  -3.572  -9.363
   81   2HH2  ARG  12          1HH1      ARG  12  -9.447  -2.379  -9.935
   82    H    CYS  13           H        CYS  13  -3.941  -4.627  -8.024
   83    HA   CYS  13           HA       CYS  13  -6.832  -5.254  -8.485
   84   1HB   CYS  13          2HB       CYS  13  -6.511  -5.171 -10.741
   85   2HB   CYS  13          1HB       CYS  13  -5.160  -4.132 -10.295
   86    H    LYS  14           H        LYS  14  -3.769  -6.563  -7.600
   87    HA   LYS  14           HA       LYS  14  -3.076  -8.769  -7.195
   88   1HB   LYS  14          2HB       LYS  14  -5.996  -8.702  -6.609
   89   2HB   LYS  14          1HB       LYS  14  -5.265 -10.297  -6.770
   90   1HG   LYS  14          2HG       LYS  14  -4.999  -9.804  -4.481
   91   2HG   LYS  14          1HG       LYS  14  -3.431  -9.391  -5.175
   92   1HD   LYS  14          2HD       LYS  14  -4.238  -7.010  -5.388
   93   2HD   LYS  14          1HD       LYS  14  -5.681  -7.480  -4.487
   94   1HE   LYS  14          2HE       LYS  14  -4.159  -6.588  -2.871
   95   2HE   LYS  14          1HE       LYS  14  -4.111  -8.340  -2.669
   96   1HZ   LYS  14          1HZ       LYS  14  -1.962  -8.326  -3.135
   97   2HZ   LYS  14          2HZ       LYS  14  -1.994  -6.629  -3.242
   98   3HZ   LYS  14          3HZ       LYS  14  -2.244  -7.576  -4.632
   99    H    GLY  15           H        GLY  15  -3.271  -8.053  -9.916
  100   1HA   GLY  15          2HA       GLY  15  -4.539 -10.368 -11.265
  101   2HA   GLY  15          1HA       GLY  15  -3.811  -8.976 -12.070
  102    H    GLY  16           H        GLY  16  -3.358 -12.189 -11.569
  103   1HA   GLY  16          2HA       GLY  16  -0.646 -12.495 -10.839
  104   2HA   GLY  16          1HA       GLY  16  -1.508 -13.595 -11.919
  105    H    PHE  17           H        PHE  17   1.064 -11.493 -11.752
  106    HA   PHE  17           HA       PHE  17   1.100 -11.213 -14.730
  107   1HB   PHE  17          2HB       PHE  17   2.520  -9.095 -14.233
  108   2HB   PHE  17          1HB       PHE  17   0.776  -8.996 -14.063
  109    HD1  PHE  17           HD1      PHE  17   1.031  -7.036 -12.563
  110    HD2  PHE  17           HD2      PHE  17   2.681 -10.866 -11.527
  111    HE1  PHE  17           HE1      PHE  17   1.333  -6.283 -10.233
  112    HE2  PHE  17           HE2      PHE  17   2.973 -10.106  -9.200
  113    HZ   PHE  17           HZ       PHE  17   2.298  -7.822  -8.551
  114    H    ALA  18           H        ALA  18   3.643 -10.312 -15.117
  115    HA   ALA  18           HA       ALA  18   5.661 -11.626 -13.570
  116   1HB   ALA  18          1HB       ALA  18   4.243 -13.298 -15.473
  117   2HB   ALA  18          2HB       ALA  18   5.471 -13.750 -14.291
  118   3HB   ALA  18          3HB       ALA  18   5.954 -13.184 -15.889
  119    HA   PRO  19           HA       PRO  19   7.502 -10.239 -17.863
  120   1HB   PRO  19          2HB       PRO  19   5.417  -8.751 -19.205
  121   2HB   PRO  19          1HB       PRO  19   6.290 -10.178 -19.780
  122   1HG   PRO  19          2HG       PRO  19   3.566 -10.051 -18.880
  123   2HG   PRO  19          1HG       PRO  19   4.465 -11.484 -19.393
  124   1HD   PRO  19          2HD       PRO  19   3.654 -10.766 -16.723
  125   2HD   PRO  19          1HD       PRO  19   4.538 -12.213 -17.242
  126    H    ALA  20           H        ALA  20   8.650  -8.331 -17.717
  127    HA   ALA  20           HA       ALA  20   8.144  -6.417 -15.715
  128   1HB   ALA  20          1HB       ALA  20   9.702  -6.014 -18.286
  129   2HB   ALA  20          2HB       ALA  20  10.343  -6.730 -16.808
  130   3HB   ALA  20          3HB       ALA  20   9.849  -5.037 -16.825
  131    H    GLU  21           H        GLU  21   6.878  -6.588 -18.970
  132    HA   GLU  21           HA       GLU  21   6.035  -3.816 -19.128
  133   1HB   GLU  21          2HB       GLU  21   6.109  -5.999 -20.883
  134   2HB   GLU  21          1HB       GLU  21   4.391  -5.683 -20.657
  135   1HG   GLU  21          2HG       GLU  21   6.311  -3.426 -21.217
  136   2HG   GLU  21          1HG       GLU  21   5.634  -4.385 -22.533
  137    H    LYS  22           H        LYS  22   4.853  -6.682 -17.621
  138    HA   LYS  22           HA       LYS  22   2.311  -5.275 -16.922
  139   1HB   LYS  22          2HB       LYS  22   2.800  -8.269 -16.971
  140   2HB   LYS  22          1HB       LYS  22   1.259  -7.457 -16.705
  141   1HG   LYS  22          2HG       LYS  22   2.876  -7.123 -19.244
  142   2HG   LYS  22          1HG       LYS  22   1.620  -8.346 -19.059
  143   1HD   LYS  22          2HD       LYS  22  -0.027  -6.575 -18.543
  144   2HD   LYS  22          1HD       LYS  22   1.227  -5.353 -18.750
  145   1HE   LYS  22          2HE       LYS  22   0.477  -7.326 -20.921
  146   2HE   LYS  22          1HE       LYS  22  -0.253  -5.727 -20.781
  147   1HZ   LYS  22          1HZ       LYS  22   1.636  -5.729 -22.297
  148   2HZ   LYS  22          2HZ       LYS  22   2.655  -6.269 -21.050
  149   3HZ   LYS  22          3HZ       LYS  22   1.930  -4.734 -20.955
  150    H    ILE  23           H        ILE  23   5.250  -5.829 -15.713
  151    HA   ILE  23           HA       ILE  23   4.204  -6.252 -12.946
  152    HB   ILE  23           HB       ILE  23   6.127  -7.834 -14.420
  153   1HG1  ILE  23          2HG1      ILE  23   4.255  -8.630 -12.968
  154   2HG1  ILE  23          1HG1      ILE  23   5.805  -9.363 -12.563
  155   1HG2  ILE  23          1HG2      ILE  23   7.148  -6.479 -11.911
  156   2HG2  ILE  23          2HG2      ILE  23   7.893  -6.475 -13.510
  157   3HG2  ILE  23          3HG2      ILE  23   7.839  -7.963 -12.567
  158   1HD1  ILE  23          1HD1      ILE  23   4.260  -7.264 -11.060
  159   2HD1  ILE  23          2HD1      ILE  23   6.007  -7.380 -10.860
  160   3HD1  ILE  23          3HD1      ILE  23   4.981  -8.754 -10.457
  161    H    VAL  24           H        VAL  24   4.779  -4.694 -11.538
  162    HA   VAL  24           HA       VAL  24   7.225  -3.083 -12.007
  163    HB   VAL  24           HB       VAL  24   4.690  -1.628 -11.272
  164   1HG1  VAL  24          1HG1      VAL  24   7.321  -0.900 -12.581
  165   2HG1  VAL  24          2HG1      VAL  24   6.743  -0.416 -10.986
  166   3HG1  VAL  24          3HG1      VAL  24   5.966   0.219 -12.436
  167   1HG2  VAL  24          1HG2      VAL  24   4.394  -1.059 -13.689
  168   2HG2  VAL  24          2HG2      VAL  24   4.124  -2.771 -13.375
  169   3HG2  VAL  24          3HG2      VAL  24   5.641  -2.237 -14.098
  170    H    ASN  25           H        ASN  25   8.079  -2.290 -10.023
  171    HA   ASN  25           HA       ASN  25   6.506  -2.931  -7.579
  172   1HB   ASN  25          2HB       ASN  25   7.932  -4.818  -7.772
  173   2HB   ASN  25          1HB       ASN  25   9.318  -3.829  -8.230
  174   1HD2  ASN  25          1HD2      ASN  25  10.422  -2.625  -6.524
  175   2HD2  ASN  25          2HD2      ASN  25  10.144  -2.956  -4.883
  176    H    SER  26           H        SER  26   6.751  -1.462  -5.951
  177    HA   SER  26           HA       SER  26   8.984   0.403  -5.849
  178   1HB   SER  26          2HB       SER  26   7.966   1.745  -7.432
  179   2HB   SER  26          1HB       SER  26   6.347   1.175  -7.044
  180    HG   SER  26           HG       SER  26   6.270   3.038  -6.034
  181    H    ASN  27           H        ASN  27   6.196   1.874  -4.662
  182    HA   ASN  27           HA       ASN  27   6.756   1.972  -1.981
  183   1HB   ASN  27          2HB       ASN  27   4.836   3.125  -2.947
  184   2HB   ASN  27          1HB       ASN  27   4.026   1.590  -3.238
  185   1HD2  ASN  27          1HD2      ASN  27   5.876   2.117  -0.268
  186   2HD2  ASN  27          2HD2      ASN  27   4.532   2.173   0.767
  187    H    GLY  28           H        GLY  28   7.825  -0.267  -1.725
  188   1HA   GLY  28          2HA       GLY  28   7.741  -2.562  -1.108
  189   2HA   GLY  28          1HA       GLY  28   6.686  -1.894   0.138
  190    H    GLU  29           H        GLU  29   5.850  -1.824  -3.275
  191    HA   GLU  29           HA       GLU  29   3.943  -4.087  -2.890
  192   1HB   GLU  29          2HB       GLU  29   3.244  -1.210  -3.404
  193   2HB   GLU  29          1HB       GLU  29   2.227  -2.478  -4.084
  194   1HG   GLU  29          2HG       GLU  29   1.421  -3.115  -2.043
  195   2HG   GLU  29          1HG       GLU  29   2.950  -2.810  -1.225
  196    H    LEU  30           H        LEU  30   2.705  -4.420  -5.042
  197    HA   LEU  30           HA       LEU  30   4.587  -4.043  -7.345
  198   1HB   LEU  30          2HB       LEU  30   3.340  -6.447  -6.220
  199   2HB   LEU  30          1HB       LEU  30   2.990  -6.246  -7.936
  200    HG   LEU  30           HG       LEU  30   5.373  -6.048  -8.435
  201   1HD1  LEU  30          1HD1      LEU  30   6.249  -4.984  -6.481
  202   2HD1  LEU  30          2HD1      LEU  30   6.986  -6.583  -6.517
  203   3HD1  LEU  30          3HD1      LEU  30   5.640  -6.258  -5.426
  204   1HD2  LEU  30          1HD2      LEU  30   4.484  -8.301  -8.444
  205   2HD2  LEU  30          2HD2      LEU  30   4.640  -8.420  -6.693
  206   3HD2  LEU  30          3HD2      LEU  30   6.083  -8.355  -7.705
  207    H    TYR  31           H        TYR  31   3.613  -3.353  -9.279
  208    HA   TYR  31           HA       TYR  31   0.636  -3.187  -9.345
  209   1HB   TYR  31          2HB       TYR  31   1.907  -0.854 -10.574
  210   2HB   TYR  31          1HB       TYR  31   0.511  -0.925  -9.518
  211    HD1  TYR  31           HD1      TYR  31   4.184  -1.687  -9.135
  212    HD2  TYR  31           HD2      TYR  31   0.746   0.416  -7.640
  213    HE1  TYR  31           HE1      TYR  31   5.541  -0.756  -7.299
  214    HE2  TYR  31           HE2      TYR  31   2.130   1.355  -5.799
  215    HH   TYR  31           HH       TYR  31   4.646   0.251  -4.678
  216    H    HIS  32           H        HIS  32  -0.141  -2.692 -11.553
  217    HA   HIS  32           HA       HIS  32   1.435  -4.139 -13.594
  218   1HB   HIS  32          2HB       HIS  32  -1.410  -3.252 -13.279
  219   2HB   HIS  32          1HB       HIS  32  -0.787  -3.403 -14.916
  220    HD2  HIS  32           HD2      HIS  32   0.298  -6.130 -15.434
  221    HE1  HIS  32           HE1      HIS  32  -2.229  -7.848 -12.526
  222    HE2  HIS  32           HE2      HIS  32  -0.729  -8.346 -14.511
  223    H    GLU  33           H        GLU  33   0.941  -2.900 -15.903
  224    HA   GLU  33           HA       GLU  33   2.358  -0.366 -15.626
  225   1HB   GLU  33          2HB       GLU  33   1.945  -0.286 -18.176
  226   2HB   GLU  33          1HB       GLU  33   2.946  -1.610 -17.578
  227   1HG   GLU  33          2HG       GLU  33   1.196  -3.188 -17.784
  228   2HG   GLU  33          1HG       GLU  33  -0.040  -1.934 -17.890
  229    H    GLN  34           H        GLN  34  -0.769  -1.222 -15.136
  230    HA   GLN  34           HA       GLN  34  -1.692   1.551 -15.457
  231   1HB   GLN  34          2HB       GLN  34  -2.159   0.229 -17.634
  232   2HB   GLN  34          1HB       GLN  34  -3.355  -0.651 -16.684
  233   1HG   GLN  34          2HG       GLN  34  -3.926   1.963 -16.030
  234   2HG   GLN  34          1HG       GLN  34  -3.439   2.108 -17.719
  235   1HE2  GLN  34          1HE2      GLN  34  -4.899   1.346 -19.313
  236   2HE2  GLN  34          2HE2      GLN  34  -6.373   0.588 -18.952
  237    H    CYS  35           H        CYS  35  -1.205   0.280 -13.103
  238    HA   CYS  35           HA       CYS  35  -3.959  -0.149 -12.030
  239   1HB   CYS  35          2HB       CYS  35  -1.500  -1.816 -11.573
  240   2HB   CYS  35          1HB       CYS  35  -2.765  -1.748 -10.359
  241    H    PHE  36           H        PHE  36  -0.779   1.171 -11.743
  242    HA   PHE  36           HA       PHE  36  -0.360   1.831  -9.122
  243   1HB   PHE  36          2HB       PHE  36  -0.102   3.494 -11.613
  244   2HB   PHE  36          1HB       PHE  36   0.285   4.183 -10.046
  245    HD1  PHE  36           HD1      PHE  36   1.004   1.222 -12.207
  246    HD2  PHE  36           HD2      PHE  36   2.361   3.794  -9.067
  247    HE1  PHE  36           HE1      PHE  36   3.214   0.095 -12.240
  248    HE2  PHE  36           HE2      PHE  36   4.570   2.673  -9.090
  249    HZ   PHE  36           HZ       PHE  36   4.996   0.824 -10.678
  250    H    VAL  37           H        VAL  37  -1.804   2.466  -7.582
  251    HA   VAL  37           HA       VAL  37  -3.949   4.393  -8.374
  252    HB   VAL  37           HB       VAL  37  -4.885   3.360  -6.053
  253   1HG1  VAL  37          1HG1      VAL  37  -5.192   2.083  -8.791
  254   2HG1  VAL  37          2HG1      VAL  37  -6.069   3.506  -8.231
  255   3HG1  VAL  37          3HG1      VAL  37  -6.329   1.946  -7.451
  256   1HG2  VAL  37          1HG2      VAL  37  -2.809   1.802  -6.122
  257   2HG2  VAL  37          2HG2      VAL  37  -3.655   0.964  -7.417
  258   3HG2  VAL  37          3HG2      VAL  37  -4.378   1.065  -5.812
  259    H    CYS  38           H        CYS  38  -4.683   5.829  -6.602
  260    HA   CYS  38           HA       CYS  38  -2.389   7.048  -5.238
  261   1HB   CYS  38          2HB       CYS  38  -4.277   8.347  -6.325
  262   2HB   CYS  38          1HB       CYS  38  -5.319   7.789  -5.023
  263    H    ALA  39           H        ALA  39  -1.781   6.424  -3.220
  264    HA   ALA  39           HA       ALA  39  -3.095   4.469  -1.659
  265   1HB   ALA  39          1HB       ALA  39  -1.736   5.721   0.265
  266   2HB   ALA  39          2HB       ALA  39  -0.996   6.528  -1.116
  267   3HB   ALA  39          3HB       ALA  39  -0.908   4.774  -0.971
  268    H    GLN  40           H        GLN  40  -4.065   7.659  -2.231
  269    HA   GLN  40           HA       GLN  40  -5.660   7.741   0.299
  270   1HB   GLN  40          2HB       GLN  40  -5.001  10.009  -1.602
  271   2HB   GLN  40          1HB       GLN  40  -5.823  10.152  -0.048
  272   1HG   GLN  40          2HG       GLN  40  -3.830   9.368   1.124
  273   2HG   GLN  40          1HG       GLN  40  -3.006   9.084  -0.410
  274   1HE2  GLN  40          1HE2      GLN  40  -1.770  10.805  -1.189
  275   2HE2  GLN  40          2HE2      GLN  40  -1.914  12.414  -0.669
  276    H    CYS  41           H        CYS  41  -6.046   9.005  -3.045
  277    HA   CYS  41           HA       CYS  41  -8.950   8.609  -2.864
  278   1HB   CYS  41          2HB       CYS  41  -9.078   9.743  -4.954
  279   2HB   CYS  41          1HB       CYS  41  -7.785  10.545  -4.064
  280    H    PHE  42           H        PHE  42  -6.317   6.678  -3.755
  281    HA   PHE  42           HA       PHE  42  -6.174   4.583  -4.792
  282   1HB   PHE  42          2HB       PHE  42  -9.186   4.447  -4.615
  283   2HB   PHE  42          1HB       PHE  42  -8.025   3.122  -4.548
  284    HD1  PHE  42           HD1      PHE  42 -10.178   4.976  -2.577
  285    HD2  PHE  42           HD2      PHE  42  -6.107   3.600  -2.621
  286    HE1  PHE  42           HE1      PHE  42 -10.081   5.183  -0.109
  287    HE2  PHE  42           HE2      PHE  42  -6.013   3.809  -0.151
  288    HZ   PHE  42           HZ       PHE  42  -7.998   4.599   1.104
  289    H    GLN  43           H        GLN  43  -6.694   7.073  -6.403
  290    HA   GLN  43           HA       GLN  43  -8.351   6.238  -8.654
  291   1HB   GLN  43          2HB       GLN  43  -6.514   8.550  -8.092
  292   2HB   GLN  43          1HB       GLN  43  -7.006   8.228  -9.752
  293   1HG   GLN  43          2HG       GLN  43  -8.967   8.518  -7.461
  294   2HG   GLN  43          1HG       GLN  43  -8.497   9.848  -8.521
  295   1HE2  GLN  43          1HE2      GLN  43 -10.489   6.990  -8.281
  296   2HE2  GLN  43          2HE2      GLN  43 -11.160   7.084  -9.838
  297    H    GLN  44           H        GLN  44  -7.698   4.876 -10.242
  298    HA   GLN  44           HA       GLN  44  -5.044   3.769 -10.304
  299   1HB   GLN  44          2HB       GLN  44  -6.028   3.114 -12.746
  300   2HB   GLN  44          1HB       GLN  44  -6.433   2.237 -11.277
  301   1HG   GLN  44          2HG       GLN  44  -8.065   4.646 -12.020
  302   2HG   GLN  44          1HG       GLN  44  -8.343   3.133 -12.880
  303   1HE2  GLN  44          1HE2      GLN  44  -9.421   4.849 -10.232
  304   2HE2  GLN  44          2HE2      GLN  44  -9.985   3.562  -9.280
  305    H    PHE  45           H        PHE  45  -3.628   3.898 -12.292
  306    HA   PHE  45           HA       PHE  45  -3.901   6.302 -13.942
  307   1HB   PHE  45          2HB       PHE  45  -2.731   6.695 -11.517
  308   2HB   PHE  45          1HB       PHE  45  -1.323   6.262 -12.484
  309    HD1  PHE  45           HD1      PHE  45  -3.780   8.826 -11.748
  310    HD2  PHE  45           HD2      PHE  45  -0.872   7.517 -14.629
  311    HE1  PHE  45           HE1      PHE  45  -3.753  11.093 -12.753
  312    HE2  PHE  45           HE2      PHE  45  -0.845   9.787 -15.633
  313    HZ   PHE  45           HZ       PHE  45  -2.286  11.575 -14.695
  314    HA   PRO  46           HA       PRO  46  -1.795   3.371 -16.550
  315   1HB   PRO  46          2HB       PRO  46  -1.373   5.366 -18.542
  316   2HB   PRO  46          1HB       PRO  46  -2.649   4.147 -18.503
  317   1HG   PRO  46          2HG       PRO  46  -2.896   6.999 -18.047
  318   2HG   PRO  46          1HG       PRO  46  -4.181   5.783 -18.100
  319   1HD   PRO  46          2HD       PRO  46  -3.131   7.130 -15.785
  320   2HD   PRO  46          1HD       PRO  46  -4.396   5.885 -15.840
  321    H    GLU  47           H        GLU  47   0.202   4.405 -18.381
  322    HA   GLU  47           HA       GLU  47   2.455   5.037 -18.482
  323   1HB   GLU  47          2HB       GLU  47   2.168   6.258 -15.728
  324   2HB   GLU  47          1HB       GLU  47   3.300   6.697 -17.005
  325   1HG   GLU  47          2HG       GLU  47   0.299   7.137 -17.011
  326   2HG   GLU  47          1HG       GLU  47   1.553   8.373 -16.948
  327    H    GLY  48           H        GLY  48   1.197   3.445 -15.628
  328   1HA   GLY  48          2HA       GLY  48   2.070   1.609 -14.447
  329   2HA   GLY  48          1HA       GLY  48   3.346   1.510 -15.662
  330    H    LEU  49           H        LEU  49   3.001   4.604 -14.262
  331    HA   LEU  49           HA       LEU  49   4.567   4.311 -11.887
  332   1HB   LEU  49          2HB       LEU  49   6.234   3.693 -13.793
  333   2HB   LEU  49          1HB       LEU  49   6.213   5.415 -14.168
  334    HG   LEU  49           HG       LEU  49   6.629   4.615 -11.317
  335   1HD1  LEU  49          1HD1      LEU  49   8.143   3.106 -12.507
  336   2HD1  LEU  49          2HD1      LEU  49   9.071   4.392 -11.738
  337   3HD1  LEU  49          3HD1      LEU  49   8.755   4.448 -13.473
  338   1HD2  LEU  49          1HD2      LEU  49   8.156   6.608 -11.447
  339   2HD2  LEU  49          2HD2      LEU  49   6.490   6.983 -11.881
  340   3HD2  LEU  49          3HD2      LEU  49   7.707   6.789 -13.143
  341    H    PHE  50           H        PHE  50   3.167   5.925 -11.093
  342    HA   PHE  50           HA       PHE  50   3.288   8.566 -12.474
  343   1HB   PHE  50          2HB       PHE  50   1.288   9.139 -11.060
  344   2HB   PHE  50          1HB       PHE  50   1.012   7.838 -12.207
  345    HD1  PHE  50           HD1      PHE  50   3.064   6.767  -9.421
  346    HD2  PHE  50           HD2      PHE  50  -0.996   7.454 -10.649
  347    HE1  PHE  50           HE1      PHE  50   2.254   5.346  -7.567
  348    HE2  PHE  50           HE2      PHE  50  -1.795   6.018  -8.797
  349    HZ   PHE  50           HZ       PHE  50  -0.163   4.966  -7.259
  350    H    TYR  51           H        TYR  51   2.219   8.978  -9.323
  351    HA   TYR  51           HA       TYR  51   4.917   9.949  -8.535
  352   1HB   TYR  51          2HB       TYR  51   2.213  10.920  -8.148
  353   2HB   TYR  51          1HB       TYR  51   3.026  10.728  -6.596
  354    HD1  TYR  51           HD1      TYR  51   5.360  11.733  -6.310
  355    HD2  TYR  51           HD2      TYR  51   2.759  12.731  -9.579
  356    HE1  TYR  51           HE1      TYR  51   6.679  13.789  -6.730
  357    HE2  TYR  51           HE2      TYR  51   4.075  14.791  -9.997
  358    HH   TYR  51           HH       TYR  51   7.121  15.366  -8.471
  359    H    GLU  52           H        GLU  52   4.628   7.212  -8.485
  360    HA   GLU  52           HA       GLU  52   3.804   6.252  -5.874
  361   1HB   GLU  52          2HB       GLU  52   4.412   4.119  -6.642
  362   2HB   GLU  52          1HB       GLU  52   4.021   4.949  -8.143
  363   1HG   GLU  52          2HG       GLU  52   6.814   4.660  -7.001
  364   2HG   GLU  52          1HG       GLU  52   6.153   3.703  -8.322
  365    H    PHE  53           H        PHE  53   5.411   5.173  -4.367
  366    HA   PHE  53           HA       PHE  53   8.196   6.080  -4.511
  367   1HB   PHE  53          2HB       PHE  53   6.186   7.524  -2.877
  368   2HB   PHE  53          1HB       PHE  53   7.673   7.102  -2.033
  369    HD1  PHE  53           HD1      PHE  53   9.904   7.564  -3.407
  370    HD2  PHE  53           HD2      PHE  53   6.134   9.501  -4.127
  371    HE1  PHE  53           HE1      PHE  53  11.076   9.432  -4.540
  372    HE2  PHE  53           HE2      PHE  53   7.310  11.366  -5.259
  373    HZ   PHE  53           HZ       PHE  53   9.781  11.332  -5.466
  374    H    GLU  54           H        GLU  54   9.519   4.855  -3.136
  375    HA   GLU  54           HA       GLU  54   8.644   2.309  -2.323
  376   1HB   GLU  54          2HB       GLU  54  11.013   4.010  -1.663
  377   2HB   GLU  54          1HB       GLU  54  10.735   2.560  -0.700
  378   1HG   GLU  54          2HG       GLU  54  10.627   1.216  -2.787
  379   2HG   GLU  54          1HG       GLU  54  10.974   2.670  -3.722
  380    H    GLY  55           H        GLY  55   8.460   5.348  -0.622
  381   1HA   GLY  55          2HA       GLY  55   7.861   4.129   1.972
  382   2HA   GLY  55          1HA       GLY  55   7.707   5.842   1.572
  383    H    ARG  56           H        ARG  56   6.014   5.832  -0.553
  384    HA   ARG  56           HA       ARG  56   3.651   4.181  -0.002
  385   1HB   ARG  56          2HB       ARG  56   3.885   6.961   0.952
  386   2HB   ARG  56          1HB       ARG  56   2.444   6.651  -0.015
  387   1HG   ARG  56          2HG       ARG  56   3.182   4.687   2.127
  388   2HG   ARG  56          1HG       ARG  56   2.423   6.207   2.596
  389   1HD   ARG  56          2HD       ARG  56   0.552   4.869   2.259
  390   2HD   ARG  56          1HD       ARG  56   0.723   5.606   0.665
  391    HE   ARG  56           HE       ARG  56   2.237   3.293   0.482
  392   1HH1  ARG  56          1HH2      ARG  56  -0.990   4.082   1.426
  393   2HH1  ARG  56          2HH2      ARG  56  -1.649   2.570   0.903
  394   1HH2  ARG  56          2HH1      ARG  56   1.388   1.324  -0.207
  395   2HH2  ARG  56          1HH1      ARG  56  -0.306   1.011  -0.021
  396    H    LYS  57           H        LYS  57   1.946   4.624  -1.726
  397    HA   LYS  57           HA       LYS  57   3.278   5.756  -4.145
  398   1HB   LYS  57          2HB       LYS  57   2.650   3.964  -5.364
  399   2HB   LYS  57          1HB       LYS  57   2.413   3.178  -3.810
  400   1HG   LYS  57          2HG       LYS  57   0.182   4.794  -5.019
  401   2HG   LYS  57          1HG       LYS  57   0.484   3.154  -5.575
  402   1HD   LYS  57          2HD       LYS  57   0.424   2.432  -3.139
  403   2HD   LYS  57          1HD       LYS  57  -0.190   4.043  -2.765
  404   1HE   LYS  57          2HE       LYS  57  -2.183   3.704  -3.938
  405   2HE   LYS  57          1HE       LYS  57  -1.483   2.423  -4.927
  406   1HZ   LYS  57          1HZ       LYS  57  -1.429   1.814  -2.130
  407   2HZ   LYS  57          2HZ       LYS  57  -2.007   0.884  -3.430
  408   3HZ   LYS  57          3HZ       LYS  57  -3.006   2.053  -2.706
  409    H    TYR  58           H        TYR  58   2.235   7.319  -5.305
  410    HA   TYR  58           HA       TYR  58  -0.610   7.936  -4.671
  411   1HB   TYR  58          2HB       TYR  58   1.603  10.008  -4.633
  412   2HB   TYR  58          1HB       TYR  58  -0.107  10.313  -4.350
  413    HD1  TYR  58           HD1      TYR  58   3.035   9.344  -2.895
  414    HD2  TYR  58           HD2      TYR  58  -1.221   9.171  -2.341
  415    HE1  TYR  58           HE1      TYR  58   3.374   8.900  -0.487
  416    HE2  TYR  58           HE2      TYR  58  -0.884   8.713   0.077
  417    HH   TYR  58           HH       TYR  58   2.291   8.912   1.557
  418    H    CYS  59           H        CYS  59  -1.601   9.300  -6.309
  419    HA   CYS  59           HA       CYS  59  -0.253   9.048  -8.943
  420   1HB   CYS  59          2HB       CYS  59  -2.498   9.810  -9.826
  421   2HB   CYS  59          1HB       CYS  59  -2.549   8.277  -8.954
  422    H    GLU  60           H        GLU  60  -0.702  11.087 -10.398
  423    HA   GLU  60           HA       GLU  60   0.622  13.310  -9.120
  424   1HB   GLU  60          2HB       GLU  60   0.574  12.624 -11.640
  425   2HB   GLU  60          1HB       GLU  60  -0.928  13.545 -11.698
  426   1HG   GLU  60          2HG       GLU  60   0.134  15.556 -11.429
  427   2HG   GLU  60          1HG       GLU  60   1.355  14.884 -10.348
  428    H    HIS  61           H        HIS  61  -2.345  12.295  -8.429
  429    HA   HIS  61           HA       HIS  61  -3.785  14.848  -8.707
  430   1HB   HIS  61          2HB       HIS  61  -5.464  13.321  -8.806
  431   2HB   HIS  61          1HB       HIS  61  -4.477  12.068  -8.066
  432    HD2  HIS  61           HD2      HIS  61  -6.327  15.312  -6.643
  433    HE1  HIS  61           HE1      HIS  61  -6.616  12.195  -3.815
  434    HE2  HIS  61           HE2      HIS  61  -7.250  14.600  -4.309
  435    H    ASP  62           H        ASP  62  -3.305  12.790  -5.807
  436    HA   ASP  62           HA       ASP  62  -3.637  14.950  -3.976
  437   1HB   ASP  62          2HB       ASP  62  -2.918  12.142  -3.852
  438   2HB   ASP  62          1HB       ASP  62  -1.894  13.085  -2.771
  439    H    PHE  63           H        PHE  63  -0.851  13.714  -5.691
  440    HA   PHE  63           HA       PHE  63   1.063  15.259  -4.159
  441   1HB   PHE  63          2HB       PHE  63   1.108  13.293  -6.331
  442   2HB   PHE  63          1HB       PHE  63   2.399  14.485  -6.393
  443    HD1  PHE  63           HD1      PHE  63   0.510  12.651  -3.726
  444    HD2  PHE  63           HD2      PHE  63   4.322  13.866  -5.245
  445    HE1  PHE  63           HE1      PHE  63   1.618  11.550  -1.806
  446    HE2  PHE  63           HE2      PHE  63   5.436  12.738  -3.340
  447    HZ   PHE  63           HZ       PHE  63   4.089  11.588  -1.615
  448    H    GLN  64           H        GLN  64  -0.598  15.778  -7.314
  449    HA   GLN  64           HA       GLN  64   1.051  18.099  -7.909
  450   1HB   GLN  64          2HB       GLN  64  -0.504  18.629  -9.647
  451   2HB   GLN  64          1HB       GLN  64  -0.395  16.873  -9.618
  452   1HG   GLN  64          2HG       GLN  64  -2.456  16.782  -8.243
  453   2HG   GLN  64          1HG       GLN  64  -2.568  18.537  -8.303
  454   1HE2  GLN  64          1HE2      GLN  64  -2.196  19.258 -10.869
  455   2HE2  GLN  64          2HE2      GLN  64  -3.255  18.455 -11.924
  456    H    MET  65           H        MET  65  -1.638  17.458  -5.863
  457    HA   MET  65           HA       MET  65  -2.594  20.160  -5.534
  458   1HB   MET  65          2HB       MET  65  -2.735  17.709  -3.746
  459   2HB   MET  65          1HB       MET  65  -3.511  19.241  -3.346
  460   1HG   MET  65          2HG       MET  65  -4.014  17.979  -6.028
  461   2HG   MET  65          1HG       MET  65  -4.886  17.395  -4.611
  462   1HE   MET  65          1HE       MET  65  -6.938  18.114  -6.295
  463   2HE   MET  65          2HE       MET  65  -5.819  18.898  -7.407
  464   3HE   MET  65          3HE       MET  65  -7.221  19.783  -6.811
  465    H    LEU  66           H        LEU  66  -0.188  18.125  -3.900
  466    HA   LEU  66           HA       LEU  66   0.584  20.105  -1.930
  467   1HB   LEU  66          2HB       LEU  66   2.548  18.114  -3.053
  468   2HB   LEU  66          1HB       LEU  66   2.354  18.658  -1.389
  469    HG   LEU  66           HG       LEU  66   0.502  16.821  -2.920
  470   1HD1  LEU  66          1HD1      LEU  66   1.173  15.168  -1.239
  471   2HD1  LEU  66          2HD1      LEU  66   2.201  16.364  -0.450
  472   3HD1  LEU  66          3HD1      LEU  66   2.595  15.794  -2.072
  473   1HD2  LEU  66          1HD2      LEU  66  -0.600  16.658  -0.586
  474   2HD2  LEU  66          2HD2      LEU  66  -0.927  18.115  -1.523
  475   3HD2  LEU  66          3HD2      LEU  66   0.255  18.155  -0.216
  476    H    PHE  67           H        PHE  67   1.170  19.587  -5.278
  477    HA   PHE  67           HA       PHE  67   2.315  20.804  -6.888
  478   1HB   PHE  67          2HB       PHE  67   1.201  22.679  -5.316
  479   2HB   PHE  67          1HB       PHE  67   2.897  23.041  -4.995
  480    HD1  PHE  67           HD1      PHE  67   4.217  24.203  -6.587
  481    HD2  PHE  67           HD2      PHE  67   0.422  22.556  -7.747
  482    HE1  PHE  67           HE1      PHE  67   4.378  25.368  -8.770
  483    HE2  PHE  67           HE2      PHE  67   0.585  23.721  -9.931
  484    HZ   PHE  67           HZ       PHE  67   2.562  25.127 -10.442
  485    H    ALA  68           H        ALA  68   3.780  18.942  -5.319
  486    HA   ALA  68           HA       ALA  68   6.226  19.971  -4.274
  487   1HB   ALA  68          1HB       ALA  68   7.074  17.676  -4.536
  488   2HB   ALA  68          2HB       ALA  68   5.711  17.283  -5.585
  489   3HB   ALA  68          3HB       ALA  68   5.436  17.656  -3.883
  490    HA   PRO  69           HA       PRO  69   7.960  21.409  -8.123
  491   1HB   PRO  69          2HB       PRO  69  10.531  21.647  -6.856
  492   2HB   PRO  69          1HB       PRO  69   9.386  22.939  -7.242
  493   1HG   PRO  69          2HG       PRO  69  10.023  21.872  -4.638
  494   2HG   PRO  69          1HG       PRO  69   8.884  23.167  -5.031
  495   1HD   PRO  69          2HD       PRO  69   8.277  20.476  -4.190
  496   2HD   PRO  69          1HD       PRO  69   7.139  21.780  -4.584
  497    H    CYS  70           H        CYS  70   8.697  18.605  -6.371
  498    HA   CYS  70           HA       CYS  70  10.214  17.508  -8.690
  499   1HB   CYS  70          2HB       CYS  70  10.955  17.104  -5.773
  500   2HB   CYS  70          1HB       CYS  70  11.743  16.333  -7.151
  501    HG   CYS  70           HG       CYS  70  11.734  19.420  -7.203
  Start of MODEL    4
    1    H    MET   1           1H       MET   1  -7.336 -15.982 -18.580
    2    HA   MET   1           HA       MET   1  -5.804 -17.937 -18.726
    3   1HB   MET   1          2HB       MET   1  -5.584 -15.575 -20.607
    4   2HB   MET   1          1HB       MET   1  -4.860 -17.141 -20.969
    5   1HG   MET   1          2HG       MET   1  -7.116 -18.195 -20.657
    6   2HG   MET   1          1HG       MET   1  -7.798 -16.578 -20.474
    7   1HE   MET   1          1HE       MET   1  -8.684 -18.773 -22.590
    8   2HE   MET   1          2HE       MET   1  -8.974 -17.754 -23.997
    9   3HE   MET   1          3HE       MET   1  -9.457 -17.193 -22.399
   10    H    ALA   2           H        ALA   2  -3.588 -18.597 -18.947
   11    HA   ALA   2           HA       ALA   2  -1.477 -16.604 -18.395
   12   1HB   ALA   2          1HB       ALA   2  -2.039 -18.951 -16.552
   13   2HB   ALA   2          2HB       ALA   2  -2.207 -17.245 -16.142
   14   3HB   ALA   2          3HB       ALA   2  -0.611 -17.920 -16.466
   15    H    ASN   3           H        ASN   3   0.298 -17.145 -19.575
   16    HA   ASN   3           HA       ASN   3   0.320 -19.612 -21.120
   17   1HB   ASN   3          2HB       ASN   3   2.471 -17.495 -20.778
   18   2HB   ASN   3          1HB       ASN   3   2.459 -18.759 -22.009
   19   1HD2  ASN   3          1HD2      ASN   3   0.763 -15.809 -20.935
   20   2HD2  ASN   3          2HD2      ASN   3  -0.019 -15.524 -22.413
   21    H    ALA   4           H        ALA   4   2.660 -18.265 -18.756
   22    HA   ALA   4           HA       ALA   4   2.930 -20.834 -17.410
   23   1HB   ALA   4          1HB       ALA   4   4.307 -21.365 -19.335
   24   2HB   ALA   4          2HB       ALA   4   5.378 -21.073 -17.964
   25   3HB   ALA   4          3HB       ALA   4   5.166 -19.830 -19.198
   26    H    LEU   5           H        LEU   5   4.464 -17.678 -18.053
   27    HA   LEU   5           HA       LEU   5   5.711 -17.519 -15.441
   28   1HB   LEU   5          2HB       LEU   5   5.220 -15.581 -17.692
   29   2HB   LEU   5          1HB       LEU   5   5.787 -14.989 -16.131
   30    HG   LEU   5           HG       LEU   5   7.626 -16.768 -16.288
   31   1HD1  LEU   5          1HD1      LEU   5   8.139 -17.318 -18.756
   32   2HD1  LEU   5          2HD1      LEU   5   6.462 -16.878 -19.074
   33   3HD1  LEU   5          3HD1      LEU   5   6.831 -18.218 -17.990
   34   1HD2  LEU   5          1HD2      LEU   5   8.074 -14.384 -16.654
   35   2HD2  LEU   5          2HD2      LEU   5   7.530 -14.519 -18.327
   36   3HD2  LEU   5          3HD2      LEU   5   8.997 -15.348 -17.808
   37    H    ALA   6           H        ALA   6   4.135 -17.809 -13.838
   38    HA   ALA   6           HA       ALA   6   2.402 -15.478 -13.340
   39   1HB   ALA   6          1HB       ALA   6   0.389 -16.931 -13.000
   40   2HB   ALA   6          2HB       ALA   6   1.293 -18.283 -13.683
   41   3HB   ALA   6          3HB       ALA   6   0.921 -16.876 -14.681
   42    H    SER   7           H        SER   7   2.852 -15.006 -11.254
   43    HA   SER   7           HA       SER   7   2.716 -17.110  -9.204
   44   1HB   SER   7          2HB       SER   7   5.260 -15.624  -9.862
   45   2HB   SER   7          1HB       SER   7   4.976 -16.307  -8.265
   46    HG   SER   7           HG       SER   7   4.429 -17.984 -10.390
   47    H    ALA   8           H        ALA   8   4.423 -14.049  -8.921
   48    HA   ALA   8           HA       ALA   8   2.830 -13.176  -6.701
   49   1HB   ALA   8          1HB       ALA   8   5.120 -12.350  -7.075
   50   2HB   ALA   8          2HB       ALA   8   3.985 -11.002  -7.013
   51   3HB   ALA   8          3HB       ALA   8   4.602 -11.564  -8.567
   52    H    THR   9           H        THR   9   1.202 -11.529  -6.636
   53    HA   THR   9           HA       THR   9  -0.071 -10.977  -9.289
   54    HB   THR   9           HB       THR   9  -2.235 -11.105  -8.239
   55    HG1  THR   9           HG1      THR   9  -2.497 -11.009  -6.130
   56   1HG2  THR   9          1HG2      THR   9  -0.634 -13.381  -7.054
   57   2HG2  THR   9          2HG2      THR   9  -1.011 -13.270  -8.774
   58   3HG2  THR   9          3HG2      THR   9  -2.313 -13.408  -7.593
   59    H    CYS  10           H        CYS  10  -1.448  -8.966  -9.242
   60    HA   CYS  10           HA       CYS  10   0.117  -6.717  -8.384
   61   1HB   CYS  10          2HB       CYS  10  -1.493  -6.813 -10.336
   62   2HB   CYS  10          1HB       CYS  10  -2.785  -6.662  -9.160
   63    H    GLU  11           H        GLU  11  -0.716  -4.955  -6.995
   64    HA   GLU  11           HA       GLU  11  -1.695  -6.067  -4.450
   65   1HB   GLU  11          2HB       GLU  11   0.211  -4.527  -4.446
   66   2HB   GLU  11          1HB       GLU  11  -0.760  -3.298  -5.258
   67   1HG   GLU  11          2HG       GLU  11  -1.642  -4.486  -2.619
   68   2HG   GLU  11          1HG       GLU  11  -0.495  -3.152  -2.665
   69    H    ARG  12           H        ARG  12  -2.514  -3.190  -6.393
   70    HA   ARG  12           HA       ARG  12  -5.134  -2.966  -5.150
   71   1HB   ARG  12          2HB       ARG  12  -5.408  -1.019  -6.588
   72   2HB   ARG  12          1HB       ARG  12  -3.803  -0.998  -5.873
   73   1HG   ARG  12          2HG       ARG  12  -4.215  -2.285  -8.555
   74   2HG   ARG  12          1HG       ARG  12  -4.081  -0.537  -8.441
   75   1HD   ARG  12          2HD       ARG  12  -2.008  -2.633  -7.928
   76   2HD   ARG  12          1HD       ARG  12  -1.855  -1.094  -8.757
   77    HE   ARG  12           HE       ARG  12  -2.330  -0.398  -6.106
   78   1HH1  ARG  12          1HH2      ARG  12  -0.107  -2.399  -7.809
   79   2HH1  ARG  12          2HH2      ARG  12   1.189  -2.135  -6.692
   80   1HH2  ARG  12          2HH1      ARG  12  -0.650  -0.055  -4.637
   81   2HH2  ARG  12          1HH1      ARG  12   0.882  -0.810  -4.903
   82    H    CYS  13           H        CYS  13  -4.346  -5.343  -7.050
   83    HA   CYS  13           HA       CYS  13  -7.007  -5.501  -8.256
   84   1HB   CYS  13          2HB       CYS  13  -6.513  -5.136 -10.436
   85   2HB   CYS  13          1HB       CYS  13  -5.089  -4.304  -9.818
   86    H    LYS  14           H        LYS  14  -3.889  -6.924  -7.542
   87    HA   LYS  14           HA       LYS  14  -3.275  -9.143  -7.149
   88   1HB   LYS  14          2HB       LYS  14  -6.273  -9.591  -7.058
   89   2HB   LYS  14          1HB       LYS  14  -5.045 -10.703  -6.462
   90   1HG   LYS  14          2HG       LYS  14  -5.112  -7.865  -5.461
   91   2HG   LYS  14          1HG       LYS  14  -6.198  -9.072  -4.772
   92   1HD   LYS  14          2HD       LYS  14  -4.258 -10.520  -4.260
   93   2HD   LYS  14          1HD       LYS  14  -3.176  -9.299  -4.927
   94   1HE   LYS  14          2HE       LYS  14  -5.115  -8.526  -2.766
   95   2HE   LYS  14          1HE       LYS  14  -3.620  -9.358  -2.335
   96   1HZ   LYS  14          1HZ       LYS  14  -3.139  -7.073  -2.266
   97   2HZ   LYS  14          2HZ       LYS  14  -3.923  -6.769  -3.744
   98   3HZ   LYS  14          3HZ       LYS  14  -2.458  -7.628  -3.717
   99    H    GLY  15           H        GLY  15  -3.109  -8.428  -9.778
  100   1HA   GLY  15          2HA       GLY  15  -4.348 -10.699 -11.277
  101   2HA   GLY  15          1HA       GLY  15  -3.695  -9.241 -12.024
  102    H    GLY  16           H        GLY  16  -3.036 -12.419 -11.628
  103   1HA   GLY  16          2HA       GLY  16  -0.346 -12.573 -10.779
  104   2HA   GLY  16          1HA       GLY  16  -1.092 -13.700 -11.911
  105    H    PHE  17           H        PHE  17   1.143 -11.136 -11.572
  106    HA   PHE  17           HA       PHE  17   1.401 -10.941 -14.546
  107   1HB   PHE  17          2HB       PHE  17   2.767  -8.810 -13.932
  108   2HB   PHE  17          1HB       PHE  17   1.017  -8.736 -13.882
  109    HD1  PHE  17           HD1      PHE  17   1.096  -6.804 -12.349
  110    HD2  PHE  17           HD2      PHE  17   2.822 -10.584 -11.243
  111    HE1  PHE  17           HE1      PHE  17   1.219  -6.062  -9.997
  112    HE2  PHE  17           HE2      PHE  17   2.940  -9.831  -8.892
  113    HZ   PHE  17           HZ       PHE  17   2.138  -7.575  -8.273
  114    H    ALA  18           H        ALA  18   3.956 -10.002 -14.793
  115    HA   ALA  18           HA       ALA  18   5.917 -11.279 -13.166
  116   1HB   ALA  18          1HB       ALA  18   5.738 -13.428 -13.815
  117   2HB   ALA  18          2HB       ALA  18   6.309 -12.919 -15.404
  118   3HB   ALA  18          3HB       ALA  18   4.578 -13.014 -15.077
  119    HA   PRO  19           HA       PRO  19   7.862 -10.052 -17.476
  120   1HB   PRO  19          2HB       PRO  19   5.813  -8.486 -18.805
  121   2HB   PRO  19          1HB       PRO  19   6.672  -9.911 -19.402
  122   1HG   PRO  19          2HG       PRO  19   3.948  -9.779 -18.543
  123   2HG   PRO  19          1HG       PRO  19   4.851 -11.225 -19.012
  124   1HD   PRO  19          2HD       PRO  19   3.997 -10.437 -16.370
  125   2HD   PRO  19          1HD       PRO  19   4.845 -11.919 -16.846
  126    H    ALA  20           H        ALA  20   9.101  -8.219 -17.299
  127    HA   ALA  20           HA       ALA  20   8.675  -6.278 -15.311
  128   1HB   ALA  20          1HB       ALA  20  10.461  -4.988 -16.419
  129   2HB   ALA  20          2HB       ALA  20  10.289  -5.986 -17.863
  130   3HB   ALA  20          3HB       ALA  20  10.868  -6.703 -16.359
  131    H    GLU  21           H        GLU  21   7.425  -6.374 -18.579
  132    HA   GLU  21           HA       GLU  21   6.759  -3.552 -18.724
  133   1HB   GLU  21          2HB       GLU  21   5.271  -4.270 -20.609
  134   2HB   GLU  21          1HB       GLU  21   6.930  -4.837 -20.785
  135   1HG   GLU  21          2HG       GLU  21   6.373  -7.047 -20.270
  136   2HG   GLU  21          1HG       GLU  21   4.909  -6.583 -19.407
  137    H    LYS  22           H        LYS  22   5.347  -6.374 -17.302
  138    HA   LYS  22           HA       LYS  22   2.932  -4.777 -16.579
  139   1HB   LYS  22          2HB       LYS  22   3.196  -7.790 -16.820
  140   2HB   LYS  22          1HB       LYS  22   1.729  -6.920 -16.377
  141   1HG   LYS  22          2HG       LYS  22   2.732  -5.771 -18.797
  142   2HG   LYS  22          1HG       LYS  22   2.696  -7.522 -19.001
  143   1HD   LYS  22          2HD       LYS  22   0.343  -7.565 -18.254
  144   2HD   LYS  22          1HD       LYS  22   0.376  -5.812 -18.053
  145   1HE   LYS  22          2HE       LYS  22   1.259  -5.978 -20.601
  146   2HE   LYS  22          1HE       LYS  22   0.263  -7.433 -20.546
  147   1HZ   LYS  22          1HZ       LYS  22  -0.545  -4.627 -20.101
  148   2HZ   LYS  22          2HZ       LYS  22  -1.483  -5.914 -19.506
  149   3HZ   LYS  22          3HZ       LYS  22  -1.201  -5.763 -21.175
  150    H    ILE  23           H        ILE  23   5.720  -5.259 -15.308
  151    HA   ILE  23           HA       ILE  23   4.647  -5.896 -12.599
  152    HB   ILE  23           HB       ILE  23   6.782  -7.276 -14.095
  153   1HG1  ILE  23          2HG1      ILE  23   4.711  -8.326 -13.164
  154   2HG1  ILE  23          1HG1      ILE  23   6.191  -9.086 -12.583
  155   1HG2  ILE  23          1HG2      ILE  23   8.355  -6.172 -12.717
  156   2HG2  ILE  23          2HG2      ILE  23   8.046  -7.695 -11.886
  157   3HG2  ILE  23          3HG2      ILE  23   7.285  -6.211 -11.315
  158   1HD1  ILE  23          1HD1      ILE  23   5.057  -8.831 -10.579
  159   2HD1  ILE  23          2HD1      ILE  23   4.243  -7.359 -11.104
  160   3HD1  ILE  23          3HD1      ILE  23   5.938  -7.305 -10.624
  161    H    VAL  24           H        VAL  24   4.932  -4.169 -11.351
  162    HA   VAL  24           HA       VAL  24   7.467  -2.606 -11.554
  163    HB   VAL  24           HB       VAL  24   4.848  -1.218 -10.985
  164   1HG1  VAL  24          1HG1      VAL  24   6.083   0.737 -11.720
  165   2HG1  VAL  24          2HG1      VAL  24   7.426  -0.267 -12.267
  166   3HG1  VAL  24          3HG1      VAL  24   7.068  -0.133 -10.545
  167   1HG2  VAL  24          1HG2      VAL  24   4.834  -0.572 -13.435
  168   2HG2  VAL  24          2HG2      VAL  24   4.431  -2.261 -13.133
  169   3HG2  VAL  24          3HG2      VAL  24   6.040  -1.829 -13.711
  170    H    ASN  25           H        ASN  25   8.255  -2.028  -9.476
  171    HA   ASN  25           HA       ASN  25   6.460  -2.736  -7.200
  172   1HB   ASN  25          2HB       ASN  25   7.904  -4.600  -7.423
  173   2HB   ASN  25          1HB       ASN  25   9.328  -3.578  -7.617
  174   1HD2  ASN  25          1HD2      ASN  25   6.683  -3.232  -5.202
  175   2HD2  ASN  25          2HD2      ASN  25   7.690  -3.419  -3.848
  176    H    SER  26           H        SER  26   6.264  -1.190  -5.802
  177    HA   SER  26           HA       SER  26   8.445   0.497  -4.894
  178   1HB   SER  26          2HB       SER  26   8.117   1.965  -6.668
  179   2HB   SER  26          1HB       SER  26   6.434   1.493  -6.884
  180    HG   SER  26           HG       SER  26   7.216   3.633  -5.752
  181    H    ASN  27           H        ASN  27   7.426   2.112  -3.211
  182    HA   ASN  27           HA       ASN  27   6.218   2.196  -1.186
  183   1HB   ASN  27          2HB       ASN  27   4.596   3.051  -2.954
  184   2HB   ASN  27          1HB       ASN  27   3.880   1.446  -2.951
  185   1HD2  ASN  27          1HD2      ASN  27   4.969   1.942   0.174
  186   2HD2  ASN  27          2HD2      ASN  27   3.548   2.567   0.857
  187    H    GLY  28           H        GLY  28   7.353  -0.440  -1.952
  188   1HA   GLY  28          2HA       GLY  28   7.283  -2.654  -1.180
  189   2HA   GLY  28          1HA       GLY  28   6.235  -2.056   0.107
  190    H    GLU  29           H        GLU  29   5.294  -1.567  -3.202
  191    HA   GLU  29           HA       GLU  29   3.343  -3.827  -3.004
  192   1HB   GLU  29          2HB       GLU  29   2.823  -0.936  -3.719
  193   2HB   GLU  29          1HB       GLU  29   1.717  -2.232  -4.179
  194   1HG   GLU  29          2HG       GLU  29   1.217  -2.766  -1.938
  195   2HG   GLU  29          1HG       GLU  29   2.632  -1.911  -1.323
  196    H    LEU  30           H        LEU  30   2.551  -4.563  -5.081
  197    HA   LEU  30           HA       LEU  30   4.484  -4.048  -7.305
  198   1HB   LEU  30          2HB       LEU  30   2.601  -6.385  -6.839
  199   2HB   LEU  30          1HB       LEU  30   3.723  -6.232  -8.189
  200    HG   LEU  30           HG       LEU  30   4.788  -7.649  -6.592
  201   1HD1  LEU  30          1HD1      LEU  30   5.975  -4.948  -5.964
  202   2HD1  LEU  30          2HD1      LEU  30   6.103  -5.660  -7.574
  203   3HD1  LEU  30          3HD1      LEU  30   6.805  -6.488  -6.184
  204   1HD2  LEU  30          1HD2      LEU  30   4.632  -7.450  -4.318
  205   2HD2  LEU  30          2HD2      LEU  30   3.211  -6.487  -4.718
  206   3HD2  LEU  30          3HD2      LEU  30   4.743  -5.692  -4.358
  207    H    TYR  31           H        TYR  31   3.641  -2.803  -8.962
  208    HA   TYR  31           HA       TYR  31   0.663  -2.765  -9.259
  209   1HB   TYR  31          2HB       TYR  31   2.262  -0.645 -10.597
  210   2HB   TYR  31          1HB       TYR  31   0.694  -0.526  -9.818
  211    HD1  TYR  31           HD1      TYR  31   4.276  -1.232  -8.873
  212    HD2  TYR  31           HD2      TYR  31   0.588   0.737  -7.870
  213    HE1  TYR  31           HE1      TYR  31   5.351  -0.187  -6.920
  214    HE2  TYR  31           HE2      TYR  31   1.682   1.779  -5.908
  215    HH   TYR  31           HH       TYR  31   3.897   2.364  -5.158
  216    H    HIS  32           H        HIS  32  -0.224  -2.848 -11.318
  217    HA   HIS  32           HA       HIS  32   1.320  -4.325 -13.349
  218   1HB   HIS  32          2HB       HIS  32  -1.525  -3.504 -12.944
  219   2HB   HIS  32          1HB       HIS  32  -0.992  -3.713 -14.605
  220    HD2  HIS  32           HD2      HIS  32   0.265  -6.451 -14.955
  221    HE1  HIS  32           HE1      HIS  32  -2.289  -8.035 -12.000
  222    HE2  HIS  32           HE2      HIS  32  -0.737  -8.630 -13.917
  223    H    GLU  33           H        GLU  33   0.851  -3.384 -15.713
  224    HA   GLU  33           HA       GLU  33   1.952  -0.676 -15.720
  225   1HB   GLU  33          2HB       GLU  33   1.538  -0.978 -18.287
  226   2HB   GLU  33          1HB       GLU  33   2.783  -1.962 -17.522
  227   1HG   GLU  33          2HG       GLU  33   1.448  -3.895 -17.544
  228   2HG   GLU  33          1HG       GLU  33  -0.047  -2.976 -17.713
  229    H    GLN  34           H        GLN  34  -0.952  -1.764 -14.969
  230    HA   GLN  34           HA       GLN  34  -2.300   0.699 -15.826
  231   1HB   GLN  34          2HB       GLN  34  -2.640  -1.467 -17.438
  232   2HB   GLN  34          1HB       GLN  34  -3.933  -1.742 -16.270
  233   1HG   GLN  34          2HG       GLN  34  -3.512   0.894 -17.708
  234   2HG   GLN  34          1HG       GLN  34  -4.610  -0.361 -18.279
  235   1HE2  GLN  34          1HE2      GLN  34  -4.057   1.953 -15.620
  236   2HE2  GLN  34          2HE2      GLN  34  -5.638   1.879 -15.008
  237    H    CYS  35           H        CYS  35  -1.466   0.092 -13.306
  238    HA   CYS  35           HA       CYS  35  -4.050  -0.173 -11.878
  239   1HB   CYS  35          2HB       CYS  35  -1.618  -1.882 -11.315
  240   2HB   CYS  35          1HB       CYS  35  -2.952  -1.700 -10.195
  241    H    PHE  36           H        PHE  36  -1.293   1.531 -12.444
  242    HA   PHE  36           HA       PHE  36  -0.129   2.225  -9.996
  243   1HB   PHE  36          2HB       PHE  36  -0.842   3.921 -12.402
  244   2HB   PHE  36          1HB       PHE  36   0.115   4.523 -11.066
  245    HD1  PHE  36           HD1      PHE  36   0.734   1.049 -11.413
  246    HD2  PHE  36           HD2      PHE  36   1.708   4.855 -13.158
  247    HE1  PHE  36           HE1      PHE  36   2.773   0.070 -12.421
  248    HE2  PHE  36           HE2      PHE  36   3.744   3.865 -14.165
  249    HZ   PHE  36           HZ       PHE  36   4.277   1.477 -13.795
  250    H    VAL  37           H        VAL  37  -1.405   2.469  -8.156
  251    HA   VAL  37           HA       VAL  37  -3.729   4.349  -8.326
  252    HB   VAL  37           HB       VAL  37  -4.234   3.190  -6.013
  253   1HG1  VAL  37          1HG1      VAL  37  -5.589   1.518  -7.204
  254   2HG1  VAL  37          2HG1      VAL  37  -4.630   1.763  -8.663
  255   3HG1  VAL  37          3HG1      VAL  37  -5.647   3.064  -8.047
  256   1HG2  VAL  37          1HG2      VAL  37  -1.923   1.920  -6.473
  257   2HG2  VAL  37          2HG2      VAL  37  -2.995   0.826  -7.339
  258   3HG2  VAL  37          3HG2      VAL  37  -3.258   1.142  -5.625
  259    H    CYS  38           H        CYS  38  -4.172   5.617  -6.387
  260    HA   CYS  38           HA       CYS  38  -1.689   6.804  -5.264
  261   1HB   CYS  38          2HB       CYS  38  -3.513   8.211  -6.288
  262   2HB   CYS  38          1HB       CYS  38  -4.576   7.691  -4.987
  263    H    ALA  39           H        ALA  39  -1.034   6.141  -3.237
  264    HA   ALA  39           HA       ALA  39  -2.318   4.247  -1.627
  265   1HB   ALA  39          1HB       ALA  39  -0.220   4.563  -0.785
  266   2HB   ALA  39          2HB       ALA  39  -1.037   5.699   0.285
  267   3HB   ALA  39          3HB       ALA  39  -0.218   6.286  -1.161
  268    H    GLN  40           H        GLN  40  -3.140   7.596  -2.000
  269    HA   GLN  40           HA       GLN  40  -4.833   7.531   0.446
  270   1HB   GLN  40          2HB       GLN  40  -4.740   9.954  -1.284
  271   2HB   GLN  40          1HB       GLN  40  -4.727   9.823   0.474
  272   1HG   GLN  40          2HG       GLN  40  -2.393   9.149  -1.346
  273   2HG   GLN  40          1HG       GLN  40  -2.553  10.617  -0.394
  274   1HE2  GLN  40          1HE2      GLN  40  -0.716   8.050  -0.258
  275   2HE2  GLN  40          2HE2      GLN  40  -0.744   7.668   1.396
  276    H    CYS  41           H        CYS  41  -5.406   9.059  -2.741
  277    HA   CYS  41           HA       CYS  41  -8.244   8.490  -2.587
  278   1HB   CYS  41          2HB       CYS  41  -8.420   9.578  -4.693
  279   2HB   CYS  41          1HB       CYS  41  -7.103  10.406  -3.865
  280    H    PHE  42           H        PHE  42  -5.545   6.657  -3.555
  281    HA   PHE  42           HA       PHE  42  -5.328   4.568  -4.594
  282   1HB   PHE  42          2HB       PHE  42  -7.631   4.467  -2.937
  283   2HB   PHE  42          1HB       PHE  42  -8.030   3.622  -4.435
  284    HD1  PHE  42           HD1      PHE  42  -7.232   1.439  -4.820
  285    HD2  PHE  42           HD2      PHE  42  -5.366   3.882  -1.818
  286    HE1  PHE  42           HE1      PHE  42  -5.850  -0.492  -4.107
  287    HE2  PHE  42           HE2      PHE  42  -3.987   1.948  -1.103
  288    HZ   PHE  42           HZ       PHE  42  -4.229  -0.239  -2.248
  289    H    GLN  43           H        GLN  43  -6.557   6.991  -6.103
  290    HA   GLN  43           HA       GLN  43  -8.266   5.893  -8.139
  291   1HB   GLN  43          2HB       GLN  43  -7.929   8.357  -7.699
  292   2HB   GLN  43          1HB       GLN  43  -6.322   8.211  -8.410
  293   1HG   GLN  43          2HG       GLN  43  -7.213   7.625 -10.548
  294   2HG   GLN  43          1HG       GLN  43  -8.824   7.361  -9.882
  295   1HE2  GLN  43          1HE2      GLN  43  -9.915   9.003 -11.106
  296   2HE2  GLN  43          2HE2      GLN  43  -9.578  10.656 -10.929
  297    H    GLN  44           H        GLN  44  -7.672   4.395  -9.647
  298    HA   GLN  44           HA       GLN  44  -4.899   3.599  -9.918
  299   1HB   GLN  44          2HB       GLN  44  -5.952   2.191 -11.847
  300   2HB   GLN  44          1HB       GLN  44  -6.350   1.801 -10.182
  301   1HG   GLN  44          2HG       GLN  44  -8.506   2.619 -10.357
  302   2HG   GLN  44          1HG       GLN  44  -8.066   3.805 -11.587
  303   1HE2  GLN  44          1HE2      GLN  44  -8.216   0.213 -11.209
  304   2HE2  GLN  44          2HE2      GLN  44  -8.760  -0.073 -12.791
  305    H    PHE  45           H        PHE  45  -3.865   3.416 -12.067
  306    HA   PHE  45           HA       PHE  45  -4.665   5.335 -14.135
  307   1HB   PHE  45          2HB       PHE  45  -2.297   5.779 -12.310
  308   2HB   PHE  45          1HB       PHE  45  -2.304   6.425 -13.949
  309    HD1  PHE  45           HD1      PHE  45  -3.272   7.035 -10.588
  310    HD2  PHE  45           HD2      PHE  45  -4.466   7.745 -14.651
  311    HE1  PHE  45           HE1      PHE  45  -4.676   8.938  -9.843
  312    HE2  PHE  45           HE2      PHE  45  -5.869   9.650 -13.907
  313    HZ   PHE  45           HZ       PHE  45  -5.973  10.246 -11.503
  314    HA   PRO  46           HA       PRO  46  -2.637   2.360 -16.648
  315   1HB   PRO  46          2HB       PRO  46  -1.645   4.244 -18.550
  316   2HB   PRO  46          1HB       PRO  46  -3.113   3.267 -18.668
  317   1HG   PRO  46          2HG       PRO  46  -2.911   6.116 -18.195
  318   2HG   PRO  46          1HG       PRO  46  -4.375   5.141 -18.373
  319   1HD   PRO  46          2HD       PRO  46  -3.318   6.299 -15.958
  320   2HD   PRO  46          1HD       PRO  46  -4.773   5.295 -16.139
  321    H    GLU  47           H        GLU  47  -0.333   2.488 -18.091
  322    HA   GLU  47           HA       GLU  47   1.735   2.622 -16.048
  323   1HB   GLU  47          2HB       GLU  47   3.261   2.080 -17.985
  324   2HB   GLU  47          1HB       GLU  47   1.946   0.929 -17.762
  325   1HG   GLU  47          2HG       GLU  47   1.291   3.214 -19.519
  326   2HG   GLU  47          1HG       GLU  47   2.541   2.140 -20.140
  327    H    GLY  48           H        GLY  48   0.608   5.068 -16.100
  328   1HA   GLY  48          2HA       GLY  48   2.071   6.859 -17.923
  329   2HA   GLY  48          1HA       GLY  48   0.918   7.355 -16.686
  330    H    LEU  49           H        LEU  49   3.068   5.224 -15.272
  331    HA   LEU  49           HA       LEU  49   4.703   5.603 -13.620
  332   1HB   LEU  49          2HB       LEU  49   5.755   6.216 -16.053
  333   2HB   LEU  49          1HB       LEU  49   5.962   7.763 -15.234
  334    HG   LEU  49           HG       LEU  49   6.806   5.152 -13.960
  335   1HD1  LEU  49          1HD1      LEU  49   8.008   5.371 -16.091
  336   2HD1  LEU  49          2HD1      LEU  49   9.100   5.677 -14.741
  337   3HD1  LEU  49          3HD1      LEU  49   8.461   7.025 -15.681
  338   1HD2  LEU  49          1HD2      LEU  49   6.617   6.999 -12.411
  339   2HD2  LEU  49          2HD2      LEU  49   7.469   8.079 -13.513
  340   3HD2  LEU  49          3HD2      LEU  49   8.334   6.756 -12.730
  341    H    PHE  50           H        PHE  50   2.598   6.754 -12.703
  342    HA   PHE  50           HA       PHE  50   2.598   9.614 -12.531
  343   1HB   PHE  50          2HB       PHE  50   0.967   9.279 -10.695
  344   2HB   PHE  50          1HB       PHE  50   0.560   8.363 -12.135
  345    HD1  PHE  50           HD1      PHE  50   3.259   6.564 -10.941
  346    HD2  PHE  50           HD2      PHE  50  -0.798   7.483  -9.861
  347    HE1  PHE  50           HE1      PHE  50   3.149   4.509  -9.590
  348    HE2  PHE  50           HE2      PHE  50  -0.893   5.428  -8.495
  349    HZ   PHE  50           HZ       PHE  50   1.079   3.934  -8.354
  350    H    TYR  51           H        TYR  51   2.513   8.260  -9.341
  351    HA   TYR  51           HA       TYR  51   5.334   9.011  -8.880
  352   1HB   TYR  51          2HB       TYR  51   2.964  10.549  -7.979
  353   2HB   TYR  51          1HB       TYR  51   4.230  10.309  -6.775
  354    HD1  TYR  51           HD1      TYR  51   6.634  10.885  -7.407
  355    HD2  TYR  51           HD2      TYR  51   3.238  12.137  -9.719
  356    HE1  TYR  51           HE1      TYR  51   8.018  12.630  -8.492
  357    HE2  TYR  51           HE2      TYR  51   4.623  13.886 -10.804
  358    HH   TYR  51           HH       TYR  51   6.855  15.200 -10.031
  359    H    GLU  52           H        GLU  52   4.722   6.427  -8.676
  360    HA   GLU  52           HA       GLU  52   3.790   5.741  -5.976
  361   1HB   GLU  52          2HB       GLU  52   4.517   3.414  -6.609
  362   2HB   GLU  52          1HB       GLU  52   3.366   4.114  -7.735
  363   1HG   GLU  52          2HG       GLU  52   5.217   4.747  -9.246
  364   2HG   GLU  52          1HG       GLU  52   6.376   4.056  -8.111
  365    H    PHE  53           H        PHE  53   5.192   5.147  -4.224
  366    HA   PHE  53           HA       PHE  53   8.114   5.213  -4.728
  367   1HB   PHE  53          2HB       PHE  53   6.577   7.415  -3.540
  368   2HB   PHE  53          1HB       PHE  53   7.941   6.896  -2.552
  369    HD1  PHE  53           HD1      PHE  53  10.243   6.744  -3.613
  370    HD2  PHE  53           HD2      PHE  53   6.922   8.671  -5.544
  371    HE1  PHE  53           HE1      PHE  53  11.808   7.922  -5.133
  372    HE2  PHE  53           HE2      PHE  53   8.489   9.847  -7.062
  373    HZ   PHE  53           HZ       PHE  53  10.931   9.473  -6.857
  374    H    GLU  54           H        GLU  54   9.358   4.359  -3.002
  375    HA   GLU  54           HA       GLU  54   8.173   2.260  -1.497
  376   1HB   GLU  54          2HB       GLU  54  10.385   2.479  -0.136
  377   2HB   GLU  54          1HB       GLU  54  10.475   2.024  -1.837
  378   1HG   GLU  54          2HG       GLU  54  10.477   4.937  -1.356
  379   2HG   GLU  54          1HG       GLU  54  11.878   4.088  -0.715
  380    H    GLY  55           H        GLY  55   6.903   2.403   0.263
  381   1HA   GLY  55          2HA       GLY  55   6.599   3.090   2.596
  382   2HA   GLY  55          1HA       GLY  55   7.316   4.649   2.179
  383    H    ARG  56           H        ARG  56   5.940   5.165  -0.211
  384    HA   ARG  56           HA       ARG  56   3.052   4.974   0.327
  385   1HB   ARG  56          2HB       ARG  56   4.636   7.420   0.879
  386   2HB   ARG  56          1HB       ARG  56   3.153   7.666  -0.039
  387   1HG   ARG  56          2HG       ARG  56   1.877   7.346   1.791
  388   2HG   ARG  56          1HG       ARG  56   2.696   5.830   2.165
  389   1HD   ARG  56          2HD       ARG  56   3.016   7.418   4.001
  390   2HD   ARG  56          1HD       ARG  56   4.558   7.116   3.198
  391    HE   ARG  56           HE       ARG  56   3.535   9.343   1.890
  392   1HH1  ARG  56          1HH2      ARG  56   4.212   8.441   5.155
  393   2HH1  ARG  56          2HH2      ARG  56   4.544  10.061   5.667
  394   1HH2  ARG  56          2HH1      ARG  56   3.963  11.451   2.548
  395   2HH2  ARG  56          1HH1      ARG  56   4.402  11.763   4.194
  396    H    LYS  57           H        LYS  57   1.860   5.191  -1.558
  397    HA   LYS  57           HA       LYS  57   3.406   5.817  -4.043
  398   1HB   LYS  57          2HB       LYS  57   1.774   4.431  -5.237
  399   2HB   LYS  57          1HB       LYS  57   2.475   3.500  -3.914
  400   1HG   LYS  57          2HG       LYS  57   0.377   4.662  -2.637
  401   2HG   LYS  57          1HG       LYS  57  -0.288   4.514  -4.258
  402   1HD   LYS  57          2HD       LYS  57   1.080   2.075  -3.584
  403   2HD   LYS  57          1HD       LYS  57  -0.041   2.484  -2.286
  404   1HE   LYS  57          2HE       LYS  57  -1.600   3.027  -4.443
  405   2HE   LYS  57          1HE       LYS  57  -0.594   1.731  -5.093
  406   1HZ   LYS  57          1HZ       LYS  57  -1.160   0.631  -2.805
  407   2HZ   LYS  57          2HZ       LYS  57  -2.249   0.530  -4.107
  408   3HZ   LYS  57          3HZ       LYS  57  -2.503   1.666  -2.869
  409    H    TYR  58           H        TYR  58   2.559   7.401  -5.445
  410    HA   TYR  58           HA       TYR  58  -0.068   8.601  -4.687
  411   1HB   TYR  58          2HB       TYR  58   2.495  10.130  -5.201
  412   2HB   TYR  58          1HB       TYR  58   0.906  10.865  -4.990
  413    HD1  TYR  58           HD1      TYR  58   3.852   9.788  -3.353
  414    HD2  TYR  58           HD2      TYR  58  -0.395  10.159  -2.798
  415    HE1  TYR  58           HE1      TYR  58   4.169   9.732  -0.895
  416    HE2  TYR  58           HE2      TYR  58  -0.075  10.109  -0.340
  417    HH   TYR  58           HH       TYR  58   1.419   9.591   1.306
  418    H    CYS  59           H        CYS  59  -0.959   9.974  -6.392
  419    HA   CYS  59           HA       CYS  59  -0.024   9.152  -9.105
  420   1HB   CYS  59          2HB       CYS  59  -2.394   9.505  -9.821
  421   2HB   CYS  59          1HB       CYS  59  -2.235   8.218  -8.623
  422    H    GLU  60           H        GLU  60  -1.264  10.945 -10.686
  423    HA   GLU  60           HA       GLU  60   0.215  13.361 -10.280
  424   1HB   GLU  60          2HB       GLU  60  -0.675  12.520 -12.493
  425   2HB   GLU  60          1HB       GLU  60  -2.280  13.034 -11.974
  426   1HG   GLU  60          2HG       GLU  60  -1.814  15.244 -12.278
  427   2HG   GLU  60          1HG       GLU  60  -0.168  15.082 -11.663
  428    H    HIS  61           H        HIS  61  -2.605  12.211  -8.788
  429    HA   HIS  61           HA       HIS  61  -3.820  14.846  -8.331
  430   1HB   HIS  61          2HB       HIS  61  -5.572  13.401  -8.166
  431   2HB   HIS  61          1HB       HIS  61  -4.526  12.033  -7.806
  432    HD2  HIS  61           HD2      HIS  61  -5.865  15.172  -5.735
  433    HE1  HIS  61           HE1      HIS  61  -5.428  11.885  -3.125
  434    HE2  HIS  61           HE2      HIS  61  -6.161  14.307  -3.291
  435    H    ASP  62           H        ASP  62  -2.597  12.378  -6.030
  436    HA   ASP  62           HA       ASP  62  -2.406  14.158  -3.838
  437   1HB   ASP  62          2HB       ASP  62  -1.772  11.455  -4.341
  438   2HB   ASP  62          1HB       ASP  62  -0.296  12.203  -3.733
  439    H    PHE  63           H        PHE  63  -0.084  13.418  -6.405
  440    HA   PHE  63           HA       PHE  63   2.065  14.920  -5.202
  441   1HB   PHE  63          2HB       PHE  63   1.879  13.168  -7.317
  442   2HB   PHE  63          1HB       PHE  63   2.130  14.713  -8.131
  443    HD1  PHE  63           HD1      PHE  63   4.254  15.796  -8.087
  444    HD2  PHE  63           HD2      PHE  63   3.469  12.489  -5.457
  445    HE1  PHE  63           HE1      PHE  63   6.646  15.749  -7.429
  446    HE2  PHE  63           HE2      PHE  63   5.859  12.441  -4.802
  447    HZ   PHE  63           HZ       PHE  63   7.448  14.071  -5.788
  448    H    GLN  64           H        GLN  64  -0.406  15.758  -7.689
  449    HA   GLN  64           HA       GLN  64   0.688  18.425  -8.031
  450   1HB   GLN  64          2HB       GLN  64  -1.218  18.905  -9.362
  451   2HB   GLN  64          1HB       GLN  64  -0.898  17.198  -9.650
  452   1HG   GLN  64          2HG       GLN  64  -2.621  16.581  -8.014
  453   2HG   GLN  64          1HG       GLN  64  -2.919  18.278  -7.659
  454   1HE2  GLN  64          1HE2      GLN  64  -3.764  19.629  -9.515
  455   2HE2  GLN  64          2HE2      GLN  64  -4.684  18.872 -10.724
  456    H    MET  65           H        MET  65  -1.228  16.889  -5.664
  457    HA   MET  65           HA       MET  65  -2.615  19.188  -4.610
  458   1HB   MET  65          2HB       MET  65  -2.978  16.642  -4.104
  459   2HB   MET  65          1HB       MET  65  -1.696  16.866  -2.914
  460   1HG   MET  65          2HG       MET  65  -3.016  18.788  -1.965
  461   2HG   MET  65          1HG       MET  65  -4.333  18.354  -3.053
  462   1HE   MET  65          1HE       MET  65  -2.117  17.628  -0.223
  463   2HE   MET  65          2HE       MET  65  -1.806  16.003  -0.831
  464   3HE   MET  65          3HE       MET  65  -2.757  16.220   0.635
  465    H    LEU  66           H        LEU  66   0.518  17.653  -4.027
  466    HA   LEU  66           HA       LEU  66   1.316  19.512  -1.923
  467   1HB   LEU  66          2HB       LEU  66   3.301  18.055  -3.656
  468   2HB   LEU  66          1HB       LEU  66   3.371  18.381  -1.926
  469    HG   LEU  66           HG       LEU  66   1.564  16.388  -3.317
  470   1HD1  LEU  66          1HD1      LEU  66   2.848  14.729  -2.040
  471   2HD1  LEU  66          2HD1      LEU  66   3.822  16.015  -1.326
  472   3HD1  LEU  66          3HD1      LEU  66   3.925  15.688  -3.056
  473   1HD2  LEU  66          1HD2      LEU  66   1.706  17.345  -0.448
  474   2HD2  LEU  66          2HD2      LEU  66   1.027  15.772  -0.871
  475   3HD2  LEU  66          3HD2      LEU  66   0.289  17.247  -1.494
  476    H    PHE  67           H        PHE  67   1.245  19.429  -5.362
  477    HA   PHE  67           HA       PHE  67   1.742  21.025  -6.974
  478   1HB   PHE  67          2HB       PHE  67   0.828  22.522  -4.974
  479   2HB   PHE  67          1HB       PHE  67   2.508  23.046  -4.893
  480    HD1  PHE  67           HD1      PHE  67  -0.624  23.464  -6.567
  481    HD2  PHE  67           HD2      PHE  67   3.624  23.779  -7.126
  482    HE1  PHE  67           HE1      PHE  67  -0.990  24.946  -8.521
  483    HE2  PHE  67           HE2      PHE  67   3.257  25.263  -9.080
  484    HZ   PHE  67           HZ       PHE  67   0.950  25.846  -9.777
  485    H    ALA  68           H        ALA  68   3.619  19.761  -7.534
  486    HA   ALA  68           HA       ALA  68   6.156  21.194  -6.983
  487   1HB   ALA  68          1HB       ALA  68   6.097  19.424  -5.287
  488   2HB   ALA  68          2HB       ALA  68   7.322  19.048  -6.499
  489   3HB   ALA  68          3HB       ALA  68   5.766  18.218  -6.529
  490    HA   PRO  69           HA       PRO  69   5.368  19.891 -11.397
  491   1HB   PRO  69          2HB       PRO  69   6.383  22.467 -12.169
  492   2HB   PRO  69          1HB       PRO  69   4.726  21.864 -12.318
  493   1HG   PRO  69          2HG       PRO  69   5.724  23.843 -10.467
  494   2HG   PRO  69          1HG       PRO  69   4.067  23.251 -10.636
  495   1HD   PRO  69          2HD       PRO  69   5.931  22.687  -8.513
  496   2HD   PRO  69          1HD       PRO  69   4.271  22.085  -8.694
  497    H    CYS  70           H        CYS  70   7.029  19.044 -12.654
  498    HA   CYS  70           HA       CYS  70   9.717  19.033 -11.585
  499   1HB   CYS  70          2HB       CYS  70  10.241  17.792 -13.727
  500   2HB   CYS  70          1HB       CYS  70   8.941  17.080 -12.772
  501    HG   CYS  70           HG       CYS  70   7.843  19.026 -14.830
  Start of MODEL    5
    1    H    MET   1           1H       MET   1  -5.025 -19.699 -17.816
    2    HA   MET   1           HA       MET   1  -4.703 -18.289 -19.641
    3   1HB   MET   1          2HB       MET   1  -6.285 -20.263 -19.943
    4   2HB   MET   1          1HB       MET   1  -7.614 -19.112 -19.804
    5   1HG   MET   1          2HG       MET   1  -6.846 -17.889 -21.743
    6   2HG   MET   1          1HG       MET   1  -5.364 -18.841 -21.817
    7   1HE   MET   1          1HE       MET   1  -5.775 -19.325 -24.316
    8   2HE   MET   1          2HE       MET   1  -7.249 -18.364 -24.256
    9   3HE   MET   1          3HE       MET   1  -7.281 -19.965 -24.987
   10    H    ALA   2           H        ALA   2  -5.046 -16.286 -20.616
   11    HA   ALA   2           HA       ALA   2  -5.752 -14.060 -20.788
   12   1HB   ALA   2          1HB       ALA   2  -7.969 -15.417 -21.157
   13   2HB   ALA   2          2HB       ALA   2  -8.062 -13.684 -20.845
   14   3HB   ALA   2          3HB       ALA   2  -8.382 -14.832 -19.546
   15    H    ASN   3           H        ASN   3  -4.519 -15.089 -18.286
   16    HA   ASN   3           HA       ASN   3  -5.111 -12.751 -16.612
   17   1HB   ASN   3          2HB       ASN   3  -5.339 -14.382 -14.573
   18   2HB   ASN   3          1HB       ASN   3  -6.752 -14.062 -15.575
   19   1HD2  ASN   3          1HD2      ASN   3  -7.769 -16.127 -15.289
   20   2HD2  ASN   3          2HD2      ASN   3  -7.089 -17.573 -15.860
   21    H    ALA   4           H        ALA   4  -3.291 -15.715 -17.185
   22    HA   ALA   4           HA       ALA   4  -1.067 -16.277 -16.712
   23   1HB   ALA   4          1HB       ALA   4  -0.846 -13.990 -17.917
   24   2HB   ALA   4          2HB       ALA   4   0.534 -14.560 -16.979
   25   3HB   ALA   4          3HB       ALA   4  -0.539 -13.332 -16.311
   26    H    LEU   5           H        LEU   5  -2.284 -16.981 -14.608
   27    HA   LEU   5           HA       LEU   5  -2.132 -15.547 -12.188
   28   1HB   LEU   5          2HB       LEU   5  -2.173 -18.455 -12.901
   29   2HB   LEU   5          1HB       LEU   5  -1.782 -18.017 -11.240
   30    HG   LEU   5           HG       LEU   5  -4.216 -18.406 -11.549
   31   1HD1  LEU   5          1HD1      LEU   5  -3.981 -15.452 -11.135
   32   2HD1  LEU   5          2HD1      LEU   5  -3.088 -16.514 -10.048
   33   3HD1  LEU   5          3HD1      LEU   5  -4.840 -16.655 -10.176
   34   1HD2  LEU   5          1HD2      LEU   5  -5.543 -17.015 -12.976
   35   2HD2  LEU   5          2HD2      LEU   5  -4.182 -17.556 -13.958
   36   3HD2  LEU   5          3HD2      LEU   5  -4.191 -15.926 -13.287
   37    H    ALA   6           H        ALA   6   0.300 -17.714 -13.645
   38    HA   ALA   6           HA       ALA   6   2.581 -17.981 -13.186
   39   1HB   ALA   6          1HB       ALA   6   3.791 -15.846 -12.653
   40   2HB   ALA   6          2HB       ALA   6   2.227 -15.049 -12.487
   41   3HB   ALA   6          3HB       ALA   6   2.716 -15.712 -14.045
   42    H    SER   7           H        SER   7   2.687 -15.573 -10.712
   43    HA   SER   7           HA       SER   7   2.130 -17.440  -8.519
   44   1HB   SER   7          2HB       SER   7   4.930 -16.520  -9.181
   45   2HB   SER   7          1HB       SER   7   4.475 -17.041  -7.562
   46    HG   SER   7           HG       SER   7   3.634 -18.729  -9.553
   47    H    ALA   8           H        ALA   8   4.176 -14.555  -8.884
   48    HA   ALA   8           HA       ALA   8   3.018 -13.269  -6.566
   49   1HB   ALA   8          1HB       ALA   8   5.318 -12.782  -7.318
   50   2HB   ALA   8          2HB       ALA   8   4.349 -11.309  -7.276
   51   3HB   ALA   8          3HB       ALA   8   4.686 -12.099  -8.817
   52    H    THR   9           H        THR   9   1.551 -11.510  -6.519
   53    HA   THR   9           HA       THR   9   0.080 -11.019  -9.082
   54    HB   THR   9           HB       THR   9  -1.988 -10.872  -7.811
   55    HG1  THR   9           HG1      THR   9  -1.495 -11.681  -5.455
   56   1HG2  THR   9          1HG2      THR   9  -0.494 -13.318  -6.841
   57   2HG2  THR   9          2HG2      THR   9  -1.104 -13.142  -8.486
   58   3HG2  THR   9          3HG2      THR   9  -2.227 -13.167  -7.128
   59    H    CYS  10           H        CYS  10  -1.174  -8.889  -8.965
   60    HA   CYS  10           HA       CYS  10   0.645  -6.748  -8.443
   61   1HB   CYS  10          2HB       CYS  10  -1.235  -6.736 -10.113
   62   2HB   CYS  10          1HB       CYS  10  -2.337  -6.517  -8.763
   63    H    GLU  11           H        GLU  11   0.417  -4.999  -6.927
   64    HA   GLU  11           HA       GLU  11  -0.270  -5.961  -4.252
   65   1HB   GLU  11          2HB       GLU  11   1.757  -4.653  -4.587
   66   2HB   GLU  11          1HB       GLU  11   0.820  -3.322  -5.272
   67   1HG   GLU  11          2HG       GLU  11   1.397  -2.902  -2.893
   68   2HG   GLU  11          1HG       GLU  11  -0.346  -3.026  -3.115
   69    H    ARG  12           H        ARG  12  -1.515  -3.520  -6.524
   70    HA   ARG  12           HA       ARG  12  -3.619  -2.771  -4.571
   71   1HB   ARG  12          2HB       ARG  12  -2.961  -1.647  -7.308
   72   2HB   ARG  12          1HB       ARG  12  -4.153  -0.988  -6.192
   73   1HG   ARG  12          2HG       ARG  12  -2.545   0.148  -5.104
   74   2HG   ARG  12          1HG       ARG  12  -1.706  -1.360  -4.759
   75   1HD   ARG  12          2HD       ARG  12  -1.231  -0.796  -7.491
   76   2HD   ARG  12          1HD       ARG  12  -0.988   0.719  -6.630
   77    HE   ARG  12           HE       ARG  12   0.865  -1.390  -6.674
   78   1HH1  ARG  12          1HH2      ARG  12  -0.887   0.364  -4.255
   79   2HH1  ARG  12          2HH2      ARG  12   0.288   0.066  -3.021
   80   1HH2  ARG  12          2HH1      ARG  12   2.388  -1.752  -5.079
   81   2HH2  ARG  12          1HH1      ARG  12   2.133  -1.126  -3.483
   82    H    CYS  13           H        CYS  13  -3.238  -4.641  -7.498
   83    HA   CYS  13           HA       CYS  13  -6.215  -4.963  -7.593
   84   1HB   CYS  13          2HB       CYS  13  -6.152  -4.933  -9.872
   85   2HB   CYS  13          1HB       CYS  13  -4.643  -4.062  -9.616
   86    H    LYS  14           H        LYS  14  -3.227  -6.558  -7.023
   87    HA   LYS  14           HA       LYS  14  -2.703  -8.808  -6.619
   88   1HB   LYS  14          2HB       LYS  14  -5.694  -8.929  -6.116
   89   2HB   LYS  14          1HB       LYS  14  -4.539 -10.180  -5.659
   90   1HG   LYS  14          2HG       LYS  14  -4.246  -7.311  -4.748
   91   2HG   LYS  14          1HG       LYS  14  -5.166  -8.501  -3.828
   92   1HD   LYS  14          2HD       LYS  14  -3.264  -9.820  -3.393
   93   2HD   LYS  14          1HD       LYS  14  -2.342  -9.091  -4.703
   94   1HE   LYS  14          2HE       LYS  14  -1.634  -8.301  -2.428
   95   2HE   LYS  14          1HE       LYS  14  -2.159  -6.998  -3.492
   96   1HZ   LYS  14          1HZ       LYS  14  -4.017  -8.330  -1.617
   97   2HZ   LYS  14          2HZ       LYS  14  -4.202  -6.834  -2.400
   98   3HZ   LYS  14          3HZ       LYS  14  -3.070  -7.005  -1.144
   99    H    GLY  15           H        GLY  15  -2.952  -8.141  -9.302
  100   1HA   GLY  15          2HA       GLY  15  -4.482 -10.390 -10.520
  101   2HA   GLY  15          1HA       GLY  15  -3.836  -9.001 -11.398
  102    H    GLY  16           H        GLY  16  -3.350 -12.214 -10.960
  103   1HA   GLY  16          2HA       GLY  16  -0.604 -12.585 -10.500
  104   2HA   GLY  16          1HA       GLY  16  -1.564 -13.619 -11.559
  105    H    PHE  17           H        PHE  17   1.130 -11.762 -11.546
  106    HA   PHE  17           HA       PHE  17   0.937 -11.344 -14.485
  107   1HB   PHE  17          2HB       PHE  17   2.319  -9.202 -14.114
  108   2HB   PHE  17          1HB       PHE  17   0.600  -9.135 -13.762
  109    HD1  PHE  17           HD1      PHE  17   1.091  -7.111 -12.372
  110    HD2  PHE  17           HD2      PHE  17   2.688 -10.979 -11.375
  111    HE1  PHE  17           HE1      PHE  17   1.627  -6.309 -10.102
  112    HE2  PHE  17           HE2      PHE  17   3.212 -10.167  -9.100
  113    HZ   PHE  17           HZ       PHE  17   2.683  -7.834  -8.464
  114    H    ALA  18           H        ALA  18   3.403 -10.490 -15.107
  115    HA   ALA  18           HA       ALA  18   5.564 -11.706 -13.675
  116   1HB   ALA  18          1HB       ALA  18   5.325 -13.868 -14.258
  117   2HB   ALA  18          2HB       ALA  18   5.671 -13.389 -15.920
  118   3HB   ALA  18          3HB       ALA  18   4.001 -13.485 -15.360
  119    HA   PRO  19           HA       PRO  19   6.982 -10.545 -18.197
  120   1HB   PRO  19          2HB       PRO  19   4.760  -9.113 -19.380
  121   2HB   PRO  19          1HB       PRO  19   5.587 -10.554 -19.986
  122   1HG   PRO  19          2HG       PRO  19   2.965 -10.416 -18.831
  123   2HG   PRO  19          1HG       PRO  19   3.830 -11.863 -19.364
  124   1HD   PRO  19          2HD       PRO  19   3.268 -11.031 -16.663
  125   2HD   PRO  19          1HD       PRO  19   4.118 -12.492 -17.199
  126    H    ALA  20           H        ALA  20   7.948  -8.495 -18.592
  127    HA   ALA  20           HA       ALA  20   7.875  -6.568 -16.525
  128   1HB   ALA  20          1HB       ALA  20   8.710  -6.196 -19.419
  129   2HB   ALA  20          2HB       ALA  20   9.748  -6.763 -18.110
  130   3HB   ALA  20          3HB       ALA  20   9.125  -5.113 -18.090
  131    H    GLU  21           H        GLU  21   5.761  -6.971 -19.245
  132    HA   GLU  21           HA       GLU  21   4.764  -4.241 -19.302
  133   1HB   GLU  21          2HB       GLU  21   3.328  -6.737 -20.251
  134   2HB   GLU  21          1HB       GLU  21   3.078  -5.081 -20.801
  135   1HG   GLU  21          2HG       GLU  21   4.466  -5.757 -22.493
  136   2HG   GLU  21          1HG       GLU  21   5.714  -5.315 -21.330
  137    H    LYS  22           H        LYS  22   3.858  -7.255 -17.709
  138    HA   LYS  22           HA       LYS  22   1.568  -5.914 -16.399
  139   1HB   LYS  22          2HB       LYS  22   2.522  -8.790 -16.241
  140   2HB   LYS  22          1HB       LYS  22   1.030  -8.163 -15.542
  141   1HG   LYS  22          2HG       LYS  22   0.279  -7.488 -17.822
  142   2HG   LYS  22          1HG       LYS  22   1.736  -8.222 -18.489
  143   1HD   LYS  22          2HD       LYS  22   0.152  -9.943 -18.707
  144   2HD   LYS  22          1HD       LYS  22   0.971 -10.359 -17.202
  145   1HE   LYS  22          2HE       LYS  22  -0.905  -8.870 -16.105
  146   2HE   LYS  22          1HE       LYS  22  -1.769  -9.194 -17.608
  147   1HZ   LYS  22          1HZ       LYS  22  -2.396 -10.937 -16.248
  148   2HZ   LYS  22          2HZ       LYS  22  -0.855 -11.098 -15.549
  149   3HZ   LYS  22          3HZ       LYS  22  -1.127 -11.620 -17.143
  150    H    ILE  23           H        ILE  23   4.797  -7.089 -15.737
  151    HA   ILE  23           HA       ILE  23   4.453  -6.666 -12.826
  152    HB   ILE  23           HB       ILE  23   6.494  -7.980 -14.572
  153   1HG1  ILE  23          2HG1      ILE  23   4.671  -9.205 -13.351
  154   2HG1  ILE  23          1HG1      ILE  23   6.292  -9.743 -12.918
  155   1HG2  ILE  23          1HG2      ILE  23   7.989  -8.049 -12.451
  156   2HG2  ILE  23          2HG2      ILE  23   7.092  -6.617 -11.947
  157   3HG2  ILE  23          3HG2      ILE  23   8.029  -6.592 -13.441
  158   1HD1  ILE  23          1HD1      ILE  23   5.171  -9.513 -10.841
  159   2HD1  ILE  23          2HD1      ILE  23   4.412  -7.997 -11.322
  160   3HD1  ILE  23          3HD1      ILE  23   6.140  -8.047 -10.976
  161    H    VAL  24           H        VAL  24   4.741  -4.663 -12.067
  162    HA   VAL  24           HA       VAL  24   6.961  -2.997 -13.151
  163    HB   VAL  24           HB       VAL  24   4.298  -1.761 -12.455
  164   1HG1  VAL  24          1HG1      VAL  24   6.316  -0.330 -12.618
  165   2HG1  VAL  24          2HG1      VAL  24   5.151   0.050 -13.886
  166   3HG1  VAL  24          3HG1      VAL  24   6.583  -0.907 -14.263
  167   1HG2  VAL  24          1HG2      VAL  24   3.826  -1.734 -14.930
  168   2HG2  VAL  24          2HG2      VAL  24   3.768  -3.349 -14.224
  169   3HG2  VAL  24          3HG2      VAL  24   5.179  -2.843 -15.154
  170    H    ASN  25           H        ASN  25   8.173  -3.269 -11.254
  171    HA   ASN  25           HA       ASN  25   6.910  -2.977  -8.638
  172   1HB   ASN  25          2HB       ASN  25   8.669  -4.447  -8.447
  173   2HB   ASN  25          1HB       ASN  25   9.655  -3.601  -9.639
  174   1HD2  ASN  25          1HD2      ASN  25   8.343  -3.164  -6.306
  175   2HD2  ASN  25          2HD2      ASN  25   9.668  -2.261  -5.746
  176    H    SER  26           H        SER  26   7.338  -1.301  -7.157
  177    HA   SER  26           HA       SER  26   8.843   1.069  -7.956
  178   1HB   SER  26          2HB       SER  26   7.127   2.467  -8.541
  179   2HB   SER  26          1HB       SER  26   6.296   0.964  -8.933
  180    HG   SER  26           HG       SER  26   5.861   1.173  -6.443
  181    H    ASN  27           H        ASN  27   9.610   1.975  -6.086
  182    HA   ASN  27           HA       ASN  27   9.795   2.504  -3.803
  183   1HB   ASN  27          2HB       ASN  27   7.855   3.072  -2.806
  184   2HB   ASN  27          1HB       ASN  27   7.023   2.453  -4.225
  185   1HD2  ASN  27          1HD2      ASN  27   5.515   0.840  -3.764
  186   2HD2  ASN  27          2HD2      ASN  27   5.554  -0.176  -2.404
  187    H    GLY  28           H        GLY  28   8.269  -0.573  -4.576
  188   1HA   GLY  28          2HA       GLY  28  10.166  -2.368  -3.807
  189   2HA   GLY  28          1HA       GLY  28   9.435  -1.935  -2.257
  190    H    GLU  29           H        GLU  29   6.843  -1.416  -3.790
  191    HA   GLU  29           HA       GLU  29   5.801  -4.164  -3.530
  192   1HB   GLU  29          2HB       GLU  29   4.622  -1.428  -3.848
  193   2HB   GLU  29          1HB       GLU  29   3.643  -2.820  -4.299
  194   1HG   GLU  29          2HG       GLU  29   3.351  -3.468  -2.148
  195   2HG   GLU  29          1HG       GLU  29   5.027  -3.126  -1.718
  196    H    LEU  30           H        LEU  30   3.995  -4.616  -5.345
  197    HA   LEU  30           HA       LEU  30   5.362  -4.324  -8.001
  198   1HB   LEU  30          2HB       LEU  30   3.508  -6.502  -6.971
  199   2HB   LEU  30          1HB       LEU  30   4.109  -6.399  -8.623
  200    HG   LEU  30           HG       LEU  30   5.521  -7.949  -7.470
  201   1HD1  LEU  30          1HD1      LEU  30   6.555  -5.993  -8.872
  202   2HD1  LEU  30          2HD1      LEU  30   7.621  -7.019  -7.914
  203   3HD1  LEU  30          3HD1      LEU  30   7.155  -5.429  -7.313
  204   1HD2  LEU  30          1HD2      LEU  30   6.450  -6.016  -5.411
  205   2HD2  LEU  30          2HD2      LEU  30   6.209  -7.759  -5.294
  206   3HD2  LEU  30          3HD2      LEU  30   4.828  -6.669  -5.185
  207    H    TYR  31           H        TYR  31   4.166  -3.489  -9.673
  208    HA   TYR  31           HA       TYR  31   1.253  -3.008  -9.225
  209   1HB   TYR  31          2HB       TYR  31   3.064  -0.944 -10.487
  210   2HB   TYR  31          1HB       TYR  31   1.404  -0.726  -9.955
  211    HD1  TYR  31           HD1      TYR  31   4.667  -1.872  -8.429
  212    HD2  TYR  31           HD2      TYR  31   1.149   0.569  -8.065
  213    HE1  TYR  31           HE1      TYR  31   5.503  -0.996  -6.279
  214    HE2  TYR  31           HE2      TYR  31   1.988   1.445  -5.900
  215    HH   TYR  31           HH       TYR  31   3.732   0.381  -4.047
  216    H    HIS  32           H        HIS  32   0.084  -2.716 -11.201
  217    HA   HIS  32           HA       HIS  32   1.281  -4.107 -13.525
  218   1HB   HIS  32          2HB       HIS  32  -1.473  -3.264 -12.706
  219   2HB   HIS  32          1HB       HIS  32  -1.142  -3.376 -14.431
  220    HD2  HIS  32           HD2      HIS  32  -0.042  -6.089 -15.132
  221    HE1  HIS  32           HE1      HIS  32  -2.142  -7.872 -11.936
  222    HE2  HIS  32           HE2      HIS  32  -0.894  -8.331 -14.100
  223    H    GLU  33           H        GLU  33   0.551  -2.849 -15.721
  224    HA   GLU  33           HA       GLU  33   1.906  -0.277 -15.543
  225   1HB   GLU  33          2HB       GLU  33   1.123  -0.141 -18.026
  226   2HB   GLU  33          1HB       GLU  33   2.300  -1.382 -17.600
  227   1HG   GLU  33          2HG       GLU  33   0.796  -3.101 -17.869
  228   2HG   GLU  33          1HG       GLU  33  -0.576  -2.124 -17.346
  229    H    GLN  34           H        GLN  34  -1.173  -1.282 -14.833
  230    HA   GLN  34           HA       GLN  34  -2.178   1.505 -14.956
  231   1HB   GLN  34          2HB       GLN  34  -3.869  -0.836 -15.880
  232   2HB   GLN  34          1HB       GLN  34  -4.275   0.877 -15.964
  233   1HG   GLN  34          2HG       GLN  34  -2.265   1.174 -17.486
  234   2HG   GLN  34          1HG       GLN  34  -2.141  -0.584 -17.538
  235   1HE2  GLN  34          1HE2      GLN  34  -4.385   2.113 -18.281
  236   2HE2  GLN  34          2HE2      GLN  34  -5.262   1.263 -19.459
  237    H    CYS  35           H        CYS  35  -1.254   0.341 -12.675
  238    HA   CYS  35           HA       CYS  35  -3.775  -0.142 -11.151
  239   1HB   CYS  35          2HB       CYS  35  -1.251  -1.769 -11.112
  240   2HB   CYS  35          1HB       CYS  35  -2.276  -1.692  -9.684
  241    H    PHE  36           H        PHE  36  -0.931   1.603 -11.562
  242    HA   PHE  36           HA       PHE  36  -0.115   2.184  -8.892
  243   1HB   PHE  36          2HB       PHE  36  -0.048   3.789 -11.456
  244   2HB   PHE  36          1HB       PHE  36   0.587   4.419  -9.948
  245    HD1  PHE  36           HD1      PHE  36   0.780   1.334 -12.067
  246    HD2  PHE  36           HD2      PHE  36   2.803   4.026  -9.422
  247    HE1  PHE  36           HE1      PHE  36   2.897   0.101 -12.428
  248    HE2  PHE  36           HE2      PHE  36   4.923   2.794  -9.772
  249    HZ   PHE  36           HZ       PHE  36   4.970   0.827 -11.281
  250    H    VAL  37           H        VAL  37  -2.223   2.240  -7.773
  251    HA   VAL  37           HA       VAL  37  -4.110   4.397  -8.396
  252    HB   VAL  37           HB       VAL  37  -5.065   3.463  -6.088
  253   1HG1  VAL  37          1HG1      VAL  37  -6.547   2.196  -7.389
  254   2HG1  VAL  37          2HG1      VAL  37  -5.281   1.669  -8.497
  255   3HG1  VAL  37          3HG1      VAL  37  -5.892   3.319  -8.580
  256   1HG2  VAL  37          1HG2      VAL  37  -2.830   1.952  -6.176
  257   2HG2  VAL  37          2HG2      VAL  37  -3.901   0.920  -7.121
  258   3HG2  VAL  37          3HG2      VAL  37  -4.338   1.368  -5.474
  259    H    CYS  38           H        CYS  38  -4.885   5.874  -6.742
  260    HA   CYS  38           HA       CYS  38  -2.631   7.138  -5.293
  261   1HB   CYS  38          2HB       CYS  38  -4.188   8.466  -6.734
  262   2HB   CYS  38          1HB       CYS  38  -5.502   8.057  -5.641
  263    H    ALA  39           H        ALA  39  -2.370   6.806  -3.128
  264    HA   ALA  39           HA       ALA  39  -3.963   5.049  -1.589
  265   1HB   ALA  39          1HB       ALA  39  -1.828   7.024  -1.018
  266   2HB   ALA  39          2HB       ALA  39  -1.961   5.338  -0.525
  267   3HB   ALA  39          3HB       ALA  39  -2.850   6.584   0.349
  268    H    GLN  40           H        GLN  40  -4.790   8.127  -2.657
  269    HA   GLN  40           HA       GLN  40  -6.746   8.475  -0.418
  270   1HB   GLN  40          2HB       GLN  40  -5.665  10.573  -2.322
  271   2HB   GLN  40          1HB       GLN  40  -6.763  10.860  -0.971
  272   1HG   GLN  40          2HG       GLN  40  -4.990   9.891   0.555
  273   2HG   GLN  40          1HG       GLN  40  -3.897   9.890  -0.828
  274   1HE2  GLN  40          1HE2      GLN  40  -2.535  11.674  -0.671
  275   2HE2  GLN  40          2HE2      GLN  40  -3.019  13.231  -0.202
  276    H    CYS  41           H        CYS  41  -6.433   9.314  -3.900
  277    HA   CYS  41           HA       CYS  41  -9.362   8.953  -4.198
  278   1HB   CYS  41          2HB       CYS  41  -9.159  10.093  -6.261
  279   2HB   CYS  41          1HB       CYS  41  -8.002  10.904  -5.210
  280    H    PHE  42           H        PHE  42  -6.890   6.898  -4.121
  281    HA   PHE  42           HA       PHE  42  -6.266   4.922  -5.241
  282   1HB   PHE  42          2HB       PHE  42  -8.273   3.394  -5.534
  283   2HB   PHE  42          1HB       PHE  42  -8.038   4.064  -3.926
  284    HD1  PHE  42           HD1      PHE  42  -9.714   5.419  -2.911
  285    HD2  PHE  42           HD2      PHE  42  -9.918   4.527  -7.105
  286    HE1  PHE  42           HE1      PHE  42 -11.986   6.408  -3.008
  287    HE2  PHE  42           HE2      PHE  42 -12.192   5.514  -7.205
  288    HZ   PHE  42           HZ       PHE  42 -13.225   6.455  -5.156
  289    H    GLN  43           H        GLN  43  -6.664   7.206  -7.080
  290    HA   GLN  43           HA       GLN  43  -7.890   6.008  -9.470
  291   1HB   GLN  43          2HB       GLN  43  -8.021   8.458  -9.100
  292   2HB   GLN  43          1HB       GLN  43  -6.261   8.554  -9.141
  293   1HG   GLN  43          2HG       GLN  43  -7.279   9.164 -11.328
  294   2HG   GLN  43          1HG       GLN  43  -6.239   7.746 -11.455
  295   1HE2  GLN  43          1HE2      GLN  43  -9.699   8.648 -11.041
  296   2HE2  GLN  43          2HE2      GLN  43 -10.307   7.269 -11.820
  297    H    GLN  44           H        GLN  44  -6.747   4.635 -10.782
  298    HA   GLN  44           HA       GLN  44  -3.943   4.153 -10.256
  299   1HB   GLN  44          2HB       GLN  44  -4.145   2.588 -12.218
  300   2HB   GLN  44          1HB       GLN  44  -5.242   2.261 -10.891
  301   1HG   GLN  44          2HG       GLN  44  -7.023   2.529 -12.247
  302   2HG   GLN  44          1HG       GLN  44  -6.474   4.145 -12.692
  303   1HE2  GLN  44          1HE2      GLN  44  -7.100   1.090 -13.977
  304   2HE2  GLN  44          2HE2      GLN  44  -6.167   1.209 -15.390
  305    H    PHE  45           H        PHE  45  -2.363   4.116 -12.106
  306    HA   PHE  45           HA       PHE  45  -2.835   6.372 -14.007
  307   1HB   PHE  45          2HB       PHE  45  -1.224   6.615 -11.791
  308   2HB   PHE  45          1HB       PHE  45  -0.065   6.142 -13.026
  309    HD1  PHE  45           HD1      PHE  45  -1.550   8.892 -11.538
  310    HD2  PHE  45           HD2      PHE  45  -0.587   7.359 -15.427
  311    HE1  PHE  45           HE1      PHE  45  -1.601  11.195 -12.455
  312    HE2  PHE  45           HE2      PHE  45  -0.636   9.661 -16.348
  313    HZ   PHE  45           HZ       PHE  45  -1.143  11.579 -14.862
  314    HA   PRO  46           HA       PRO  46  -1.676   2.990 -16.696
  315   1HB   PRO  46          2HB       PRO  46  -1.725   4.840 -18.887
  316   2HB   PRO  46          1HB       PRO  46  -2.912   3.591 -18.488
  317   1HG   PRO  46          2HG       PRO  46  -3.205   6.439 -18.200
  318   2HG   PRO  46          1HG       PRO  46  -4.373   5.184 -17.767
  319   1HD   PRO  46          2HD       PRO  46  -2.790   6.814 -15.991
  320   2HD   PRO  46          1HD       PRO  46  -3.970   5.559 -15.561
  321    H    GLU  47           H        GLU  47   0.028   5.879 -16.043
  322    HA   GLU  47           HA       GLU  47   2.149   5.553 -17.979
  323   1HB   GLU  47          2HB       GLU  47   3.184   7.364 -16.936
  324   2HB   GLU  47          1HB       GLU  47   1.488   7.651 -16.573
  325   1HG   GLU  47          2HG       GLU  47   1.864   6.408 -14.383
  326   2HG   GLU  47          1HG       GLU  47   3.589   6.475 -14.743
  327    H    GLY  48           H        GLY  48   1.322   3.807 -15.205
  328   1HA   GLY  48          2HA       GLY  48   2.398   2.049 -14.093
  329   2HA   GLY  48          1HA       GLY  48   3.516   2.001 -15.453
  330    H    LEU  49           H        LEU  49   3.260   5.002 -13.738
  331    HA   LEU  49           HA       LEU  49   5.203   4.537 -11.687
  332   1HB   LEU  49          2HB       LEU  49   6.511   4.316 -13.986
  333   2HB   LEU  49          1HB       LEU  49   6.464   6.076 -13.936
  334    HG   LEU  49           HG       LEU  49   7.461   4.354 -11.648
  335   1HD1  LEU  49          1HD1      LEU  49   9.723   5.050 -12.374
  336   2HD1  LEU  49          2HD1      LEU  49   9.020   5.843 -13.784
  337   3HD1  LEU  49          3HD1      LEU  49   8.916   4.091 -13.614
  338   1HD2  LEU  49          1HD2      LEU  49   6.802   6.482 -10.808
  339   2HD2  LEU  49          2HD2      LEU  49   7.418   7.324 -12.230
  340   3HD2  LEU  49          3HD2      LEU  49   8.541   6.626 -11.063
  341    H    PHE  50           H        PHE  50   3.634   5.891 -10.640
  342    HA   PHE  50           HA       PHE  50   3.666   8.738 -11.530
  343   1HB   PHE  50          2HB       PHE  50   1.595   9.010 -10.242
  344   2HB   PHE  50          1HB       PHE  50   1.426   7.722 -11.422
  345    HD1  PHE  50           HD1      PHE  50   3.518   6.406  -8.902
  346    HD2  PHE  50           HD2      PHE  50  -0.577   7.473  -9.645
  347    HE1  PHE  50           HE1      PHE  50   2.782   4.875  -7.105
  348    HE2  PHE  50           HE2      PHE  50  -1.296   5.945  -7.843
  349    HZ   PHE  50           HZ       PHE  50   0.381   4.643  -6.576
  350    H    TYR  51           H        TYR  51   2.530   9.075  -8.579
  351    HA   TYR  51           HA       TYR  51   5.234   9.525  -7.440
  352   1HB   TYR  51          2HB       TYR  51   2.783  10.995  -7.384
  353   2HB   TYR  51          1HB       TYR  51   3.176  10.526  -5.733
  354    HD1  TYR  51           HD1      TYR  51   5.768  10.762  -5.114
  355    HD2  TYR  51           HD2      TYR  51   3.750  12.949  -8.209
  356    HE1  TYR  51           HE1      TYR  51   7.523  12.508  -5.022
  357    HE2  TYR  51           HE2      TYR  51   5.505  14.700  -8.116
  358    HH   TYR  51           HH       TYR  51   7.531  15.137  -5.659
  359    H    GLU  52           H        GLU  52   5.101   6.995  -7.291
  360    HA   GLU  52           HA       GLU  52   3.482   5.865  -5.179
  361   1HB   GLU  52          2HB       GLU  52   4.514   3.845  -5.700
  362   2HB   GLU  52          1HB       GLU  52   4.767   4.726  -7.203
  363   1HG   GLU  52          2HG       GLU  52   6.776   4.543  -4.936
  364   2HG   GLU  52          1HG       GLU  52   6.852   3.630  -6.437
  365    H    PHE  53           H        PHE  53   4.596   4.798  -3.211
  366    HA   PHE  53           HA       PHE  53   6.892   6.417  -2.223
  367   1HB   PHE  53          2HB       PHE  53   4.195   6.749  -1.358
  368   2HB   PHE  53          1HB       PHE  53   5.073   5.965  -0.046
  369    HD1  PHE  53           HD1      PHE  53   6.543   7.196   1.325
  370    HD2  PHE  53           HD2      PHE  53   5.259   8.843  -2.430
  371    HE1  PHE  53           HE1      PHE  53   7.621   9.353   1.901
  372    HE2  PHE  53           HE2      PHE  53   6.337  10.999  -1.852
  373    HZ   PHE  53           HZ       PHE  53   7.518  11.253   0.313
  374    H    GLU  54           H        GLU  54   8.130   5.361  -0.599
  375    HA   GLU  54           HA       GLU  54   8.416   2.559  -0.869
  376   1HB   GLU  54          2HB       GLU  54   9.840   2.733   1.191
  377   2HB   GLU  54          1HB       GLU  54  10.253   3.897  -0.067
  378   1HG   GLU  54          2HG       GLU  54   8.192   4.887   1.775
  379   2HG   GLU  54          1HG       GLU  54   9.719   4.521   2.573
  380    H    GLY  55           H        GLY  55   6.174   4.338   1.016
  381   1HA   GLY  55          2HA       GLY  55   5.224   1.792   2.239
  382   2HA   GLY  55          1HA       GLY  55   5.461   3.197   3.279
  383    H    ARG  56           H        ARG  56   4.540   4.229   0.235
  384    HA   ARG  56           HA       ARG  56   1.629   3.992   0.714
  385   1HB   ARG  56          2HB       ARG  56   3.226   6.496   1.025
  386   2HB   ARG  56          1HB       ARG  56   1.676   6.633   0.200
  387   1HG   ARG  56          2HG       ARG  56   1.966   5.228   2.863
  388   2HG   ARG  56          1HG       ARG  56   1.632   6.953   2.739
  389   1HD   ARG  56          2HD       ARG  56  -0.549   6.345   2.658
  390   2HD   ARG  56          1HD       ARG  56  -0.214   5.873   0.992
  391    HE   ARG  56           HE       ARG  56   0.510   3.645   2.482
  392   1HH1  ARG  56          1HH2      ARG  56  -2.287   5.646   2.164
  393   2HH1  ARG  56          2HH2      ARG  56  -3.398   4.371   2.536
  394   1HH2  ARG  56          2HH1      ARG  56  -0.929   1.982   2.969
  395   2HH2  ARG  56          1HH1      ARG  56  -2.630   2.300   2.990
  396    H    LYS  57           H        LYS  57   0.707   5.735  -1.175
  397    HA   LYS  57           HA       LYS  57   2.231   5.517  -3.662
  398   1HB   LYS  57          2HB       LYS  57   0.159   4.257  -4.697
  399   2HB   LYS  57          1HB       LYS  57   1.431   3.337  -3.896
  400   1HG   LYS  57          2HG       LYS  57   0.139   2.959  -1.986
  401   2HG   LYS  57          1HG       LYS  57  -0.897   4.353  -2.292
  402   1HD   LYS  57          2HD       LYS  57  -0.951   2.294  -4.410
  403   2HD   LYS  57          1HD       LYS  57  -1.599   1.769  -2.855
  404   1HE   LYS  57          2HE       LYS  57  -2.484   4.465  -3.637
  405   2HE   LYS  57          1HE       LYS  57  -3.002   3.205  -4.744
  406   1HZ   LYS  57          1HZ       LYS  57  -4.584   3.538  -2.938
  407   2HZ   LYS  57          2HZ       LYS  57  -3.381   3.144  -1.804
  408   3HZ   LYS  57          3HZ       LYS  57  -3.928   1.974  -2.908
  409    H    TYR  58           H        TYR  58   1.714   7.328  -4.818
  410    HA   TYR  58           HA       TYR  58  -1.068   8.386  -4.648
  411   1HB   TYR  58          2HB       TYR  58   1.370  10.156  -4.373
  412   2HB   TYR  58          1HB       TYR  58  -0.315  10.645  -4.231
  413    HD1  TYR  58           HD1      TYR  58   2.579   9.387  -2.516
  414    HD2  TYR  58           HD2      TYR  58  -1.708   9.616  -2.334
  415    HE1  TYR  58           HE1      TYR  58   2.667   8.933  -0.088
  416    HE2  TYR  58           HE2      TYR  58  -1.624   9.150   0.106
  417    HH   TYR  58           HH       TYR  58  -0.052   8.053   1.714
  418    H    CYS  59           H        CYS  59  -1.685   9.602  -6.469
  419    HA   CYS  59           HA       CYS  59   0.070   9.236  -8.835
  420   1HB   CYS  59          2HB       CYS  59  -1.989  10.046 -10.081
  421   2HB   CYS  59          1HB       CYS  59  -2.209   8.525  -9.216
  422    H    GLU  60           H        GLU  60  -0.125  11.288 -10.383
  423    HA   GLU  60           HA       GLU  60   1.091  13.467  -8.944
  424   1HB   GLU  60          2HB       GLU  60   1.418  12.836 -11.414
  425   2HB   GLU  60          1HB       GLU  60  -0.118  13.644 -11.717
  426   1HG   GLU  60          2HG       GLU  60   1.909  15.108 -12.059
  427   2HG   GLU  60          1HG       GLU  60   0.745  15.748 -10.903
  428    H    HIS  61           H        HIS  61  -1.989  12.537  -8.695
  429    HA   HIS  61           HA       HIS  61  -3.319  15.115  -9.110
  430   1HB   HIS  61          2HB       HIS  61  -5.006  13.625  -9.384
  431   2HB   HIS  61          1HB       HIS  61  -4.126  12.357  -8.545
  432    HD2  HIS  61           HD2      HIS  61  -6.039  15.635  -7.292
  433    HE1  HIS  61           HE1      HIS  61  -6.782  12.474  -4.596
  434    HE2  HIS  61           HE2      HIS  61  -7.268  14.911  -5.107
  435    H    ASP  62           H        ASP  62  -3.255  13.104  -6.136
  436    HA   ASP  62           HA       ASP  62  -3.744  15.309  -4.401
  437   1HB   ASP  62          2HB       ASP  62  -3.161  12.494  -4.127
  438   2HB   ASP  62          1HB       ASP  62  -2.193  13.413  -2.977
  439    H    PHE  63           H        PHE  63  -0.793  13.952  -5.698
  440    HA   PHE  63           HA       PHE  63   0.975  15.449  -3.980
  441   1HB   PHE  63          2HB       PHE  63   1.198  13.569  -6.226
  442   2HB   PHE  63          1HB       PHE  63   2.517  14.721  -6.079
  443    HD1  PHE  63           HD1      PHE  63   0.284  12.978  -3.629
  444    HD2  PHE  63           HD2      PHE  63   4.290  13.826  -4.867
  445    HE1  PHE  63           HE1      PHE  63   1.144  11.752  -1.659
  446    HE2  PHE  63           HE2      PHE  63   5.157  12.571  -2.910
  447    HZ   PHE  63           HZ       PHE  63   3.587  11.542  -1.301
  448    H    GLN  64           H        GLN  64  -0.418  16.070  -7.218
  449    HA   GLN  64           HA       GLN  64   1.248  18.480  -7.483
  450   1HB   GLN  64          2HB       GLN  64   0.166  18.871  -9.555
  451   2HB   GLN  64          1HB       GLN  64   0.283  17.118  -9.455
  452   1HG   GLN  64          2HG       GLN  64  -2.042  17.020  -8.602
  453   2HG   GLN  64          1HG       GLN  64  -2.154  18.770  -8.719
  454   1HE2  GLN  64          1HE2      GLN  64  -3.653  16.592 -10.241
  455   2HE2  GLN  64          2HE2      GLN  64  -3.401  16.963 -11.877
  456    H    MET  65           H        MET  65  -1.697  17.577  -6.023
  457    HA   MET  65           HA       MET  65  -3.083  20.082  -5.989
  458   1HB   MET  65          2HB       MET  65  -3.921  17.743  -5.214
  459   2HB   MET  65          1HB       MET  65  -3.105  18.107  -3.694
  460   1HG   MET  65          2HG       MET  65  -5.378  18.826  -3.432
  461   2HG   MET  65          1HG       MET  65  -4.416  20.288  -3.648
  462   1HE   MET  65          1HE       MET  65  -7.352  20.407  -3.877
  463   2HE   MET  65          2HE       MET  65  -7.628  18.779  -4.492
  464   3HE   MET  65          3HE       MET  65  -8.132  20.172  -5.447
  465    H    LEU  66           H        LEU  66  -0.687  18.574  -3.861
  466    HA   LEU  66           HA       LEU  66  -0.462  20.924  -2.125
  467   1HB   LEU  66          2HB       LEU  66   1.728  18.875  -2.412
  468   2HB   LEU  66          1HB       LEU  66   1.162  19.695  -0.957
  469    HG   LEU  66           HG       LEU  66  -0.291  17.519  -2.481
  470   1HD1  LEU  66          1HD1      LEU  66  -0.039  16.650   0.084
  471   2HD1  LEU  66          2HD1      LEU  66   1.438  17.602  -0.073
  472   3HD1  LEU  66          3HD1      LEU  66   1.120  16.274  -1.189
  473   1HD2  LEU  66          1HD2      LEU  66  -1.111  19.314  -0.194
  474   2HD2  LEU  66          2HD2      LEU  66  -1.817  17.709  -0.374
  475   3HD2  LEU  66          3HD2      LEU  66  -2.017  18.907  -1.651
  476    H    PHE  67           H        PHE  67   1.558  19.333  -4.565
  477    HA   PHE  67           HA       PHE  67   2.182  21.418  -6.214
  478   1HB   PHE  67          2HB       PHE  67   3.471  21.826  -3.633
  479   2HB   PHE  67          1HB       PHE  67   4.673  21.657  -4.908
  480    HD1  PHE  67           HD1      PHE  67   2.958  24.054  -3.176
  481    HD2  PHE  67           HD2      PHE  67   3.697  22.875  -7.242
  482    HE1  PHE  67           HE1      PHE  67   2.498  26.369  -3.930
  483    HE2  PHE  67           HE2      PHE  67   3.235  25.192  -7.994
  484    HZ   PHE  67           HZ       PHE  67   2.635  26.938  -6.340
  485    H    ALA  68           H        ALA  68   4.624  19.606  -4.399
  486    HA   ALA  68           HA       ALA  68   4.750  17.401  -6.252
  487   1HB   ALA  68          1HB       ALA  68   6.834  19.591  -6.529
  488   2HB   ALA  68          2HB       ALA  68   5.714  19.038  -7.772
  489   3HB   ALA  68          3HB       ALA  68   7.003  17.974  -7.212
  490    HA   PRO  69           HA       PRO  69   6.777  17.223  -1.998
  491   1HB   PRO  69          2HB       PRO  69   5.115  14.946  -1.438
  492   2HB   PRO  69          1HB       PRO  69   5.075  16.535  -0.663
  493   1HG   PRO  69          2HG       PRO  69   3.152  15.427  -2.506
  494   2HG   PRO  69          1HG       PRO  69   3.117  17.012  -1.723
  495   1HD   PRO  69          2HD       PRO  69   3.679  16.423  -4.490
  496   2HD   PRO  69          1HD       PRO  69   3.637  18.010  -3.696
  497    H    CYS  70           H        CYS  70   8.685  16.106  -2.135
  498    HA   CYS  70           HA       CYS  70   9.115  14.004  -4.061
  499   1HB   CYS  70          2HB       CYS  70  10.792  14.823  -1.667
  500   2HB   CYS  70          1HB       CYS  70  11.333  13.784  -2.985
  501    HG   CYS  70           HG       CYS  70  10.302  16.468  -4.002
  Start of MODEL    6
    1    H    MET   1           1H       MET   1  11.955 -26.082  -7.069
    2    HA   MET   1           HA       MET   1  13.779 -28.406  -7.133
    3   1HB   MET   1          2HB       MET   1  13.217 -26.971  -9.187
    4   2HB   MET   1          1HB       MET   1  14.066 -25.659  -8.370
    5   1HG   MET   1          2HG       MET   1  15.638 -26.786  -9.834
    6   2HG   MET   1          1HG       MET   1  16.069 -27.165  -8.167
    7   1HE   MET   1          1HE       MET   1  14.413 -29.886 -11.424
    8   2HE   MET   1          2HE       MET   1  15.453 -28.473 -11.593
    9   3HE   MET   1          3HE       MET   1  13.776 -28.268 -11.094
   10    H    ALA   2           H        ALA   2  13.615 -24.944  -6.226
   11    HA   ALA   2           HA       ALA   2  15.308 -25.480  -3.880
   12   1HB   ALA   2          1HB       ALA   2  17.041 -25.154  -5.537
   13   2HB   ALA   2          2HB       ALA   2  16.952 -23.687  -4.563
   14   3HB   ALA   2          3HB       ALA   2  16.232 -23.721  -6.172
   15    H    ASN   3           H        ASN   3  14.453 -22.614  -5.855
   16    HA   ASN   3           HA       ASN   3  13.329 -21.372  -3.386
   17   1HB   ASN   3          2HB       ASN   3  13.571 -19.241  -4.557
   18   2HB   ASN   3          1HB       ASN   3  15.099 -20.119  -4.622
   19   1HD2  ASN   3          1HD2      ASN   3  12.344 -19.029  -6.559
   20   2HD2  ASN   3          2HD2      ASN   3  13.023 -19.415  -8.065
   21    H    ALA   4           H        ALA   4  11.229 -20.386  -3.480
   22    HA   ALA   4           HA       ALA   4   9.403 -21.732  -5.369
   23   1HB   ALA   4          1HB       ALA   4   8.957 -19.971  -2.944
   24   2HB   ALA   4          2HB       ALA   4   8.657 -21.703  -3.086
   25   3HB   ALA   4          3HB       ALA   4   7.638 -20.558  -3.959
   26    H    LEU   5           H        LEU   5   8.612 -18.538  -4.231
   27    HA   LEU   5           HA       LEU   5   8.022 -16.609  -5.430
   28   1HB   LEU   5          2HB       LEU   5  10.564 -17.390  -6.896
   29   2HB   LEU   5          1HB       LEU   5   9.777 -15.816  -7.012
   30    HG   LEU   5           HG       LEU   5   9.972 -16.196  -4.275
   31   1HD1  LEU   5          1HD1      LEU   5  12.295 -16.871  -3.857
   32   2HD1  LEU   5          2HD1      LEU   5  12.533 -17.169  -5.579
   33   3HD1  LEU   5          3HD1      LEU   5  11.418 -18.176  -4.655
   34   1HD2  LEU   5          1HD2      LEU   5  11.796 -14.505  -4.432
   35   2HD2  LEU   5          2HD2      LEU   5  10.434 -14.110  -5.481
   36   3HD2  LEU   5          3HD2      LEU   5  11.901 -14.809  -6.167
   37    H    ALA   6           H        ALA   6   6.287 -18.350  -6.237
   38    HA   ALA   6           HA       ALA   6   6.443 -19.229  -8.975
   39   1HB   ALA   6          1HB       ALA   6   3.964 -19.538  -8.739
   40   2HB   ALA   6          2HB       ALA   6   4.056 -18.753  -7.163
   41   3HB   ALA   6          3HB       ALA   6   4.883 -20.287  -7.434
   42    H    SER   7           H        SER   7   4.239 -16.739  -7.638
   43    HA   SER   7           HA       SER   7   5.015 -14.752  -9.600
   44   1HB   SER   7          2HB       SER   7   2.665 -16.526 -10.135
   45   2HB   SER   7          1HB       SER   7   2.515 -14.817 -10.533
   46    HG   SER   7           HG       SER   7   4.770 -16.337 -11.303
   47    H    ALA   8           H        ALA   8   4.760 -12.929  -8.414
   48    HA   ALA   8           HA       ALA   8   2.985 -12.822  -6.117
   49   1HB   ALA   8          1HB       ALA   8   3.699 -10.392  -6.073
   50   2HB   ALA   8          2HB       ALA   8   4.634 -10.710  -7.534
   51   3HB   ALA   8          3HB       ALA   8   5.033 -11.546  -6.034
   52    H    THR   9           H        THR   9   1.531 -10.683  -6.009
   53    HA   THR   9           HA       THR   9  -0.052 -10.554  -8.548
   54    HB   THR   9           HB       THR   9  -2.086 -10.349  -7.164
   55    HG1  THR   9           HG1      THR   9  -0.463  -9.664  -5.317
   56   1HG2  THR   9          1HG2      THR   9  -1.391 -12.595  -7.863
   57   2HG2  THR   9          2HG2      THR   9  -2.122 -12.654  -6.260
   58   3HG2  THR   9          3HG2      THR   9  -0.369 -12.738  -6.433
   59    H    CYS  10           H        CYS  10  -1.203  -8.517  -8.868
   60    HA   CYS  10           HA       CYS  10   0.405  -6.213  -8.318
   61   1HB   CYS  10          2HB       CYS  10  -1.205  -6.515 -10.245
   62   2HB   CYS  10          1HB       CYS  10  -2.499  -6.193  -9.103
   63    H    GLU  11           H        GLU  11  -0.279  -4.277  -7.131
   64    HA   GLU  11           HA       GLU  11  -1.082  -4.938  -4.431
   65   1HB   GLU  11          2HB       GLU  11   0.487  -3.169  -4.678
   66   2HB   GLU  11          1HB       GLU  11  -0.502  -2.352  -5.883
   67   1HG   GLU  11          2HG       GLU  11  -0.657  -1.216  -3.695
   68   2HG   GLU  11          1HG       GLU  11  -2.216  -1.894  -4.153
   69    H    ARG  12           H        ARG  12  -2.537  -2.626  -6.734
   70    HA   ARG  12           HA       ARG  12  -5.030  -2.572  -5.241
   71   1HB   ARG  12          2HB       ARG  12  -3.941  -0.702  -6.657
   72   2HB   ARG  12          1HB       ARG  12  -4.658  -1.523  -8.039
   73   1HG   ARG  12          2HG       ARG  12  -6.620  -1.304  -5.950
   74   2HG   ARG  12          1HG       ARG  12  -5.920   0.281  -6.251
   75   1HD   ARG  12          2HD       ARG  12  -6.511   0.237  -8.543
   76   2HD   ARG  12          1HD       ARG  12  -6.819  -1.495  -8.529
   77    HE   ARG  12           HE       ARG  12  -8.741   0.551  -8.018
   78   1HH1  ARG  12          1HH2      ARG  12  -7.649  -2.429  -6.641
   79   2HH1  ARG  12          2HH2      ARG  12  -9.099  -2.672  -5.727
   80   1HH2  ARG  12          2HH1      ARG  12 -10.618   0.228  -6.846
   81   2HH2  ARG  12          1HH1      ARG  12 -10.775  -1.177  -5.846
   82    H    CYS  13           H        CYS  13  -4.045  -3.946  -8.386
   83    HA   CYS  13           HA       CYS  13  -6.754  -5.043  -8.764
   84   1HB   CYS  13          2HB       CYS  13  -6.208  -5.184 -10.959
   85   2HB   CYS  13          1HB       CYS  13  -4.867  -4.135 -10.512
   86    H    LYS  14           H        LYS  14  -3.681  -6.157  -7.548
   87    HA   LYS  14           HA       LYS  14  -3.001  -8.276  -6.801
   88   1HB   LYS  14          2HB       LYS  14  -5.995  -8.756  -6.665
   89   2HB   LYS  14          1HB       LYS  14  -4.757  -9.702  -5.842
   90   1HG   LYS  14          2HG       LYS  14  -5.043  -6.720  -5.418
   91   2HG   LYS  14          1HG       LYS  14  -5.926  -7.894  -4.444
   92   1HD   LYS  14          2HD       LYS  14  -2.962  -8.230  -4.776
   93   2HD   LYS  14          1HD       LYS  14  -3.562  -7.018  -3.646
   94   1HE   LYS  14          2HE       LYS  14  -4.623  -8.618  -2.295
   95   2HE   LYS  14          1HE       LYS  14  -4.648  -9.825  -3.580
   96   1HZ   LYS  14          1HZ       LYS  14  -2.143  -9.758  -3.441
   97   2HZ   LYS  14          2HZ       LYS  14  -2.947 -10.477  -2.129
   98   3HZ   LYS  14          3HZ       LYS  14  -2.330  -8.901  -1.989
   99    H    GLY  15           H        GLY  15  -3.051  -7.916  -9.592
  100   1HA   GLY  15          2HA       GLY  15  -4.234 -10.385 -10.721
  101   2HA   GLY  15          1HA       GLY  15  -3.433  -9.109 -11.639
  102    H    GLY  16           H        GLY  16  -3.058 -12.232 -10.735
  103   1HA   GLY  16          2HA       GLY  16  -0.389 -12.423  -9.788
  104   2HA   GLY  16          1HA       GLY  16  -1.213 -13.683 -10.708
  105    H    PHE  17           H        PHE  17   1.042 -11.058 -10.866
  106    HA   PHE  17           HA       PHE  17   1.357 -11.483 -13.803
  107   1HB   PHE  17          2HB       PHE  17   2.799  -9.327 -13.563
  108   2HB   PHE  17          1HB       PHE  17   1.049  -9.183 -13.518
  109    HD1  PHE  17           HD1      PHE  17   1.225  -7.026 -12.329
  110    HD2  PHE  17           HD2      PHE  17   2.801 -10.639 -10.614
  111    HE1  PHE  17           HE1      PHE  17   1.393  -5.912 -10.124
  112    HE2  PHE  17           HE2      PHE  17   2.966  -9.520  -8.421
  113    HZ   PHE  17           HZ       PHE  17   2.261  -7.165  -8.174
  114    H    ALA  18           H        ALA  18   3.933 -10.747 -14.233
  115    HA   ALA  18           HA       ALA  18   5.850 -11.768 -12.379
  116   1HB   ALA  18          1HB       ALA  18   5.612 -13.991 -12.638
  117   2HB   ALA  18          2HB       ALA  18   6.164 -13.794 -14.300
  118   3HB   ALA  18          3HB       ALA  18   4.439 -13.772 -13.936
  119    HA   PRO  19           HA       PRO  19   7.872 -11.374 -16.792
  120   1HB   PRO  19          2HB       PRO  19   5.901 -10.167 -18.518
  121   2HB   PRO  19          1HB       PRO  19   6.722 -11.722 -18.713
  122   1HG   PRO  19          2HG       PRO  19   3.979 -11.272 -17.972
  123   2HG   PRO  19          1HG       PRO  19   4.813 -12.822 -18.138
  124   1HD   PRO  19          2HD       PRO  19   3.970 -11.523 -15.712
  125   2HD   PRO  19          1HD       PRO  19   4.806 -13.079 -15.880
  126    H    ALA  20           H        ALA  20   8.920  -9.424 -17.443
  127    HA   ALA  20           HA       ALA  20   8.543  -7.136 -15.774
  128   1HB   ALA  20          1HB       ALA  20  10.170  -6.035 -17.276
  129   2HB   ALA  20          2HB       ALA  20   9.991  -7.357 -18.430
  130   3HB   ALA  20          3HB       ALA  20  10.697  -7.661 -16.842
  131    H    GLU  21           H        GLU  21   6.829  -8.137 -18.543
  132    HA   GLU  21           HA       GLU  21   6.092  -5.453 -19.462
  133   1HB   GLU  21          2HB       GLU  21   6.168  -7.317 -21.063
  134   2HB   GLU  21          1HB       GLU  21   4.958  -8.192 -20.125
  135   1HG   GLU  21          2HG       GLU  21   4.209  -5.431 -20.921
  136   2HG   GLU  21          1HG       GLU  21   4.342  -6.596 -22.237
  137    H    LYS  22           H        LYS  22   4.558  -8.106 -17.656
  138    HA   LYS  22           HA       LYS  22   2.232  -6.382 -17.057
  139   1HB   LYS  22          2HB       LYS  22   2.779  -9.243 -16.208
  140   2HB   LYS  22          1HB       LYS  22   1.238  -8.390 -16.097
  141   1HG   LYS  22          2HG       LYS  22   1.153  -8.179 -18.541
  142   2HG   LYS  22          1HG       LYS  22   2.720  -8.976 -18.678
  143   1HD   LYS  22          2HD       LYS  22   1.781 -11.013 -17.650
  144   2HD   LYS  22          1HD       LYS  22   0.213 -10.218 -17.504
  145   1HE   LYS  22          2HE       LYS  22   0.320 -11.670 -19.513
  146   2HE   LYS  22          1HE       LYS  22   0.084  -9.977 -19.944
  147   1HZ   LYS  22          1HZ       LYS  22   2.810 -11.066 -19.761
  148   2HZ   LYS  22          2HZ       LYS  22   2.230  -9.768 -20.693
  149   3HZ   LYS  22          3HZ       LYS  22   1.883 -11.368 -21.150
  150    H    ILE  23           H        ILE  23   4.933  -7.990 -15.407
  151    HA   ILE  23           HA       ILE  23   4.108  -7.000 -12.787
  152    HB   ILE  23           HB       ILE  23   5.827  -9.012 -13.698
  153   1HG1  ILE  23          2HG1      ILE  23   4.509  -9.132 -11.664
  154   2HG1  ILE  23          1HG1      ILE  23   6.200  -9.405 -11.257
  155   1HG2  ILE  23          1HG2      ILE  23   7.427  -6.857 -12.281
  156   2HG2  ILE  23          2HG2      ILE  23   7.666  -7.404 -13.942
  157   3HG2  ILE  23          3HG2      ILE  23   7.985  -8.500 -12.601
  158   1HD1  ILE  23          1HD1      ILE  23   5.532  -7.869  -9.616
  159   2HD1  ILE  23          2HD1      ILE  23   4.505  -6.973 -10.733
  160   3HD1  ILE  23          3HD1      ILE  23   6.258  -6.823 -10.834
  161    H    VAL  24           H        VAL  24   4.668  -5.080 -11.897
  162    HA   VAL  24           HA       VAL  24   6.989  -3.573 -12.977
  163    HB   VAL  24           HB       VAL  24   4.390  -2.120 -12.493
  164   1HG1  VAL  24          1HG1      VAL  24   5.419  -0.478 -13.994
  165   2HG1  VAL  24          2HG1      VAL  24   6.777  -1.566 -14.282
  166   3HG1  VAL  24          3HG1      VAL  24   6.528  -0.870 -12.680
  167   1HG2  VAL  24          1HG2      VAL  24   3.990  -2.240 -14.971
  168   2HG2  VAL  24          2HG2      VAL  24   3.807  -3.799 -14.166
  169   3HG2  VAL  24          3HG2      VAL  24   5.273  -3.445 -15.081
  170    H    ASN  25           H        ASN  25   8.170  -3.418 -11.109
  171    HA   ASN  25           HA       ASN  25   6.722  -2.954  -8.558
  172   1HB   ASN  25          2HB       ASN  25   8.268  -4.678  -8.249
  173   2HB   ASN  25          1HB       ASN  25   9.490  -3.906  -9.256
  174   1HD2  ASN  25          1HD2      ASN  25  10.634  -2.001  -8.304
  175   2HD2  ASN  25          2HD2      ASN  25  10.705  -1.815  -6.619
  176    H    SER  26           H        SER  26   7.256  -1.182  -7.216
  177    HA   SER  26           HA       SER  26   9.130   0.855  -8.178
  178   1HB   SER  26          2HB       SER  26   7.615   2.506  -8.774
  179   2HB   SER  26          1HB       SER  26   6.737   1.077  -9.319
  180    HG   SER  26           HG       SER  26   5.248   1.806  -8.020
  181    H    ASN  27           H        ASN  27  10.031   1.762  -6.416
  182    HA   ASN  27           HA       ASN  27  10.392   2.395  -4.198
  183   1HB   ASN  27          2HB       ASN  27   7.525   2.871  -4.679
  184   2HB   ASN  27          1HB       ASN  27   7.939   2.641  -2.982
  185   1HD2  ASN  27          1HD2      ASN  27   8.243   4.810  -5.711
  186   2HD2  ASN  27          2HD2      ASN  27   9.092   6.032  -4.894
  187    H    GLY  28           H        GLY  28   9.107  -0.531  -5.059
  188   1HA   GLY  28          2HA       GLY  28   9.936  -2.395  -3.558
  189   2HA   GLY  28          1HA       GLY  28   9.185  -1.516  -2.231
  190    H    GLU  29           H        GLU  29   6.783  -0.799  -3.819
  191    HA   GLU  29           HA       GLU  29   5.320  -3.300  -3.364
  192   1HB   GLU  29          2HB       GLU  29   4.673  -0.534  -3.435
  193   2HB   GLU  29          1HB       GLU  29   3.722  -1.320  -4.694
  194   1HG   GLU  29          2HG       GLU  29   2.955  -3.006  -3.038
  195   2HG   GLU  29          1HG       GLU  29   3.854  -2.151  -1.782
  196    H    LEU  30           H        LEU  30   3.614  -3.882  -5.143
  197    HA   LEU  30           HA       LEU  30   5.032  -3.973  -7.784
  198   1HB   LEU  30          2HB       LEU  30   3.048  -5.955  -6.625
  199   2HB   LEU  30          1HB       LEU  30   3.876  -6.099  -8.173
  200    HG   LEU  30           HG       LEU  30   5.067  -7.490  -6.644
  201   1HD1  LEU  30          1HD1      LEU  30   6.745  -5.001  -6.537
  202   2HD1  LEU  30          2HD1      LEU  30   6.349  -5.721  -8.097
  203   3HD1  LEU  30          3HD1      LEU  30   7.230  -6.658  -6.891
  204   1HD2  LEU  30          1HD2      LEU  30   4.092  -5.867  -4.673
  205   2HD2  LEU  30          2HD2      LEU  30   5.784  -5.370  -4.708
  206   3HD2  LEU  30          3HD2      LEU  30   5.366  -7.061  -4.428
  207    H    TYR  31           H        TYR  31   3.863  -3.408  -9.595
  208    HA   TYR  31           HA       TYR  31   0.938  -2.958  -9.378
  209   1HB   TYR  31          2HB       TYR  31   2.556  -0.800 -10.679
  210   2HB   TYR  31          1HB       TYR  31   0.961  -0.696  -9.949
  211    HD1  TYR  31           HD1      TYR  31   4.540  -1.362  -9.002
  212    HD2  TYR  31           HD2      TYR  31   0.756   0.323  -7.862
  213    HE1  TYR  31           HE1      TYR  31   5.570  -0.450  -6.951
  214    HE2  TYR  31           HE2      TYR  31   1.790   1.239  -5.803
  215    HH   TYR  31           HH       TYR  31   5.242   1.180  -5.305
  216    H    HIS  32           H        HIS  32   0.066  -2.430 -11.597
  217    HA   HIS  32           HA       HIS  32   1.492  -4.022 -13.669
  218   1HB   HIS  32          2HB       HIS  32  -1.363  -3.270 -13.164
  219   2HB   HIS  32          1HB       HIS  32  -0.860  -3.477 -14.838
  220    HD2  HIS  32           HD2      HIS  32   0.433  -6.168 -15.240
  221    HE1  HIS  32           HE1      HIS  32  -1.881  -7.848 -12.137
  222    HE2  HIS  32           HE2      HIS  32  -0.405  -8.381 -14.133
  223    H    GLU  33           H        GLU  33   0.772  -2.931 -15.980
  224    HA   GLU  33           HA       GLU  33   2.084  -0.328 -15.954
  225   1HB   GLU  33          2HB       GLU  33   0.590  -1.276 -18.371
  226   2HB   GLU  33          1HB       GLU  33   2.189  -0.539 -18.264
  227   1HG   GLU  33          2HG       GLU  33   2.935  -2.667 -18.619
  228   2HG   GLU  33          1HG       GLU  33   2.606  -2.868 -16.899
  229    H    GLN  34           H        GLN  34  -1.010  -1.407 -15.343
  230    HA   GLN  34           HA       GLN  34  -2.087   1.344 -15.607
  231   1HB   GLN  34          2HB       GLN  34  -3.415  -1.138 -16.738
  232   2HB   GLN  34          1HB       GLN  34  -4.216   0.424 -16.565
  233   1HG   GLN  34          2HG       GLN  34  -2.315   1.408 -17.955
  234   2HG   GLN  34          1HG       GLN  34  -1.841  -0.253 -18.313
  235   1HE2  GLN  34          1HE2      GLN  34  -4.734   1.893 -18.466
  236   2HE2  GLN  34          2HE2      GLN  34  -5.387   1.158 -19.849
  237    H    CYS  35           H        CYS  35  -1.297   0.292 -13.230
  238    HA   CYS  35           HA       CYS  35  -3.904  -0.173 -11.860
  239   1HB   CYS  35          2HB       CYS  35  -1.396  -1.809 -11.596
  240   2HB   CYS  35          1HB       CYS  35  -2.549  -1.716 -10.273
  241    H    PHE  36           H        PHE  36  -0.849   1.353 -12.033
  242    HA   PHE  36           HA       PHE  36  -0.154   2.076  -9.430
  243   1HB   PHE  36          2HB       PHE  36  -0.174   3.638 -12.015
  244   2HB   PHE  36          1HB       PHE  36   0.382   4.374 -10.523
  245    HD1  PHE  36           HD1      PHE  36   0.830   1.211 -12.501
  246    HD2  PHE  36           HD2      PHE  36   2.630   4.158  -9.963
  247    HE1  PHE  36           HE1      PHE  36   3.032   0.101 -12.771
  248    HE2  PHE  36           HE2      PHE  36   4.832   3.048 -10.229
  249    HZ   PHE  36           HZ       PHE  36   5.031   1.019 -11.633
  250    H    VAL  37           H        VAL  37  -1.686   2.570  -7.876
  251    HA   VAL  37           HA       VAL  37  -3.779   4.587  -8.592
  252    HB   VAL  37           HB       VAL  37  -4.755   3.462  -6.319
  253   1HG1  VAL  37          1HG1      VAL  37  -6.317   2.309  -7.761
  254   2HG1  VAL  37          2HG1      VAL  37  -5.161   2.305  -9.093
  255   3HG1  VAL  37          3HG1      VAL  37  -5.872   3.822  -8.547
  256   1HG2  VAL  37          1HG2      VAL  37  -4.001   0.978  -7.726
  257   2HG2  VAL  37          2HG2      VAL  37  -4.126   1.301  -5.998
  258   3HG2  VAL  37          3HG2      VAL  37  -2.675   1.762  -6.876
  259    H    CYS  38           H        CYS  38  -4.560   5.870  -6.722
  260    HA   CYS  38           HA       CYS  38  -2.256   6.945  -5.210
  261   1HB   CYS  38          2HB       CYS  38  -3.881   8.418  -6.469
  262   2HB   CYS  38          1HB       CYS  38  -5.120   7.939  -5.316
  263    H    ALA  39           H        ALA  39  -1.922   6.333  -3.123
  264    HA   ALA  39           HA       ALA  39  -3.551   4.464  -1.739
  265   1HB   ALA  39          1HB       ALA  39  -2.222   5.791   0.286
  266   2HB   ALA  39          2HB       ALA  39  -1.205   6.124  -1.115
  267   3HB   ALA  39          3HB       ALA  39  -1.557   4.458  -0.658
  268    H    GLN  40           H        GLN  40  -4.199   7.716  -2.347
  269    HA   GLN  40           HA       GLN  40  -5.928   7.945   0.081
  270   1HB   GLN  40          2HB       GLN  40  -5.141  10.167  -1.821
  271   2HB   GLN  40          1HB       GLN  40  -5.859  10.327  -0.218
  272   1HG   GLN  40          2HG       GLN  40  -3.538   8.765   0.149
  273   2HG   GLN  40          1HG       GLN  40  -3.066  10.066  -0.943
  274   1HE2  GLN  40          1HE2      GLN  40  -2.262  11.804   0.223
  275   2HE2  GLN  40          2HE2      GLN  40  -2.857  12.338   1.721
  276    H    CYS  41           H        CYS  41  -6.066   9.161  -3.296
  277    HA   CYS  41           HA       CYS  41  -8.997   8.896  -3.258
  278   1HB   CYS  41          2HB       CYS  41  -8.953  10.026  -5.375
  279   2HB   CYS  41          1HB       CYS  41  -7.747  10.816  -4.360
  280    H    PHE  42           H        PHE  42  -6.406   6.862  -3.979
  281    HA   PHE  42           HA       PHE  42  -6.265   4.781  -5.047
  282   1HB   PHE  42          2HB       PHE  42  -9.289   4.780  -5.060
  283   2HB   PHE  42          1HB       PHE  42  -8.196   3.397  -4.990
  284    HD1  PHE  42           HD1      PHE  42 -10.311   5.383  -3.055
  285    HD2  PHE  42           HD2      PHE  42  -6.405   3.599  -2.950
  286    HE1  PHE  42           HE1      PHE  42 -10.327   5.493  -0.578
  287    HE2  PHE  42           HE2      PHE  42  -6.421   3.709  -0.473
  288    HZ   PHE  42           HZ       PHE  42  -8.382   4.656   0.714
  289    H    GLN  43           H        GLN  43  -6.719   7.370  -6.598
  290    HA   GLN  43           HA       GLN  43  -8.179   6.639  -8.991
  291   1HB   GLN  43          2HB       GLN  43  -7.800   9.000  -8.377
  292   2HB   GLN  43          1HB       GLN  43  -6.059   8.771  -8.548
  293   1HG   GLN  43          2HG       GLN  43  -6.505   8.067 -10.955
  294   2HG   GLN  43          1HG       GLN  43  -8.160   8.630 -10.724
  295   1HE2  GLN  43          1HE2      GLN  43  -8.495  10.957 -10.393
  296   2HE2  GLN  43          2HE2      GLN  43  -7.284  12.078 -10.785
  297    H    GLN  44           H        GLN  44  -7.468   5.200 -10.486
  298    HA   GLN  44           HA       GLN  44  -4.691   4.264 -10.418
  299   1HB   GLN  44          2HB       GLN  44  -6.161   3.298 -12.717
  300   2HB   GLN  44          1HB       GLN  44  -5.552   2.392 -11.330
  301   1HG   GLN  44          2HG       GLN  44  -7.587   3.244 -10.043
  302   2HG   GLN  44          1HG       GLN  44  -8.219   3.803 -11.593
  303   1HE2  GLN  44          1HE2      GLN  44  -8.299   2.019 -13.361
  304   2HE2  GLN  44          2HE2      GLN  44  -8.709   0.453 -12.853
  305    H    PHE  45           H        PHE  45  -3.196   4.489 -12.171
  306    HA   PHE  45           HA       PHE  45  -3.936   6.533 -14.215
  307   1HB   PHE  45          2HB       PHE  45  -2.260   6.997 -12.025
  308   2HB   PHE  45          1HB       PHE  45  -1.154   6.726 -13.370
  309    HD1  PHE  45           HD1      PHE  45  -3.128   9.141 -11.719
  310    HD2  PHE  45           HD2      PHE  45  -1.855   7.930 -15.637
  311    HE1  PHE  45           HE1      PHE  45  -3.609  11.417 -12.579
  312    HE2  PHE  45           HE2      PHE  45  -2.336  10.206 -16.498
  313    HZ   PHE  45           HZ       PHE  45  -3.212  11.949 -14.968
  314    HA   PRO  46           HA       PRO  46  -2.228   3.225 -16.714
  315   1HB   PRO  46          2HB       PRO  46  -2.573   4.826 -19.046
  316   2HB   PRO  46          1HB       PRO  46  -3.617   3.519 -18.483
  317   1HG   PRO  46          2HG       PRO  46  -4.159   6.364 -18.457
  318   2HG   PRO  46          1HG       PRO  46  -5.228   5.045 -17.963
  319   1HD   PRO  46          2HD       PRO  46  -3.848   6.921 -16.269
  320   2HD   PRO  46          1HD       PRO  46  -4.910   5.586 -15.776
  321    H    GLU  47           H        GLU  47  -0.984   6.189 -15.905
  322    HA   GLU  47           HA       GLU  47   1.025   6.765 -17.802
  323   1HB   GLU  47          2HB       GLU  47   0.302   7.956 -15.543
  324   2HB   GLU  47          1HB       GLU  47   1.632   7.011 -14.874
  325   1HG   GLU  47          2HG       GLU  47   3.060   7.932 -16.789
  326   2HG   GLU  47          1HG       GLU  47   1.746   9.072 -17.086
  327    H    GLY  48           H        GLY  48   0.818   4.187 -15.459
  328   1HA   GLY  48          2HA       GLY  48   2.134   2.208 -15.427
  329   2HA   GLY  48          1HA       GLY  48   3.222   2.943 -16.604
  330    H    LEU  49           H        LEU  49   3.098   5.389 -14.629
  331    HA   LEU  49           HA       LEU  49   4.398   4.588 -12.213
  332   1HB   LEU  49          2HB       LEU  49   6.110   4.113 -14.221
  333   2HB   LEU  49          1HB       LEU  49   6.437   5.831 -14.015
  334    HG   LEU  49           HG       LEU  49   6.435   3.873 -11.705
  335   1HD1  LEU  49          1HD1      LEU  49   8.766   4.864 -13.376
  336   2HD1  LEU  49          2HD1      LEU  49   8.171   3.205 -13.307
  337   3HD1  LEU  49          3HD1      LEU  49   8.909   3.937 -11.882
  338   1HD2  LEU  49          1HD2      LEU  49   6.168   6.147 -10.973
  339   2HD2  LEU  49          2HD2      LEU  49   7.392   6.721 -12.105
  340   3HD2  LEU  49          3HD2      LEU  49   7.864   5.740 -10.719
  341    H    PHE  50           H        PHE  50   2.847   6.255 -11.595
  342    HA   PHE  50           HA       PHE  50   3.427   9.005 -12.494
  343   1HB   PHE  50          2HB       PHE  50   1.475   9.594 -10.993
  344   2HB   PHE  50          1HB       PHE  50   1.093   8.518 -12.330
  345    HD1  PHE  50           HD1      PHE  50   2.978   6.777  -9.813
  346    HD2  PHE  50           HD2      PHE  50  -0.973   8.162 -10.783
  347    HE1  PHE  50           HE1      PHE  50   2.012   5.168  -8.216
  348    HE2  PHE  50           HE2      PHE  50  -1.928   6.540  -9.170
  349    HZ   PHE  50           HZ       PHE  50  -0.429   5.043  -7.893
  350    H    TYR  51           H        TYR  51   2.376   8.812  -9.220
  351    HA   TYR  51           HA       TYR  51   5.163   9.376  -8.308
  352   1HB   TYR  51          2HB       TYR  51   2.796  11.047  -8.190
  353   2HB   TYR  51          1HB       TYR  51   3.420  10.733  -6.573
  354    HD1  TYR  51           HD1      TYR  51   6.150  10.739  -6.520
  355    HD2  TYR  51           HD2      TYR  51   3.659  12.936  -9.249
  356    HE1  TYR  51           HE1      TYR  51   7.993  12.347  -6.906
  357    HE2  TYR  51           HE2      TYR  51   5.507  14.546  -9.634
  358    HH   TYR  51           HH       TYR  51   8.293  14.654  -7.661
  359    H    GLU  52           H        GLU  52   4.516   6.821  -8.054
  360    HA   GLU  52           HA       GLU  52   3.047   6.231  -5.604
  361   1HB   GLU  52          2HB       GLU  52   4.413   3.943  -6.004
  362   2HB   GLU  52          1HB       GLU  52   2.972   4.342  -6.918
  363   1HG   GLU  52          2HG       GLU  52   4.851   3.593  -8.371
  364   2HG   GLU  52          1HG       GLU  52   4.318   5.227  -8.751
  365    H    PHE  53           H        PHE  53   4.189   5.100  -3.722
  366    HA   PHE  53           HA       PHE  53   7.026   5.924  -3.411
  367   1HB   PHE  53          2HB       PHE  53   4.812   7.316  -2.224
  368   2HB   PHE  53          1HB       PHE  53   5.739   6.527  -0.949
  369    HD1  PHE  53           HD1      PHE  53   7.965   7.229  -0.392
  370    HD2  PHE  53           HD2      PHE  53   5.943   8.910  -3.793
  371    HE1  PHE  53           HE1      PHE  53   9.718   8.973  -0.574
  372    HE2  PHE  53           HE2      PHE  53   7.697  10.652  -3.973
  373    HZ   PHE  53           HZ       PHE  53   9.584  10.685  -2.365
  374    H    GLU  54           H        GLU  54   7.844   5.072  -1.187
  375    HA   GLU  54           HA       GLU  54   7.289   2.227  -1.101
  376   1HB   GLU  54          2HB       GLU  54   8.828   2.417   0.995
  377   2HB   GLU  54          1HB       GLU  54   9.519   2.754  -0.592
  378   1HG   GLU  54          2HG       GLU  54   9.468   5.095  -0.249
  379   2HG   GLU  54          1HG       GLU  54   8.335   4.961   1.095
  380    H    GLY  55           H        GLY  55   5.787   1.207   0.109
  381   1HA   GLY  55          2HA       GLY  55   4.316   0.761   1.894
  382   2HA   GLY  55          1HA       GLY  55   5.005   2.138   2.750
  383    H    ARG  56           H        ARG  56   4.248   3.420  -0.143
  384    HA   ARG  56           HA       ARG  56   1.346   3.740   0.299
  385   1HB   ARG  56          2HB       ARG  56   1.552   6.238   0.369
  386   2HB   ARG  56          1HB       ARG  56   2.239   5.448   1.787
  387   1HG   ARG  56          2HG       ARG  56   4.476   5.496   0.475
  388   2HG   ARG  56          1HG       ARG  56   3.678   6.684  -0.554
  389   1HD   ARG  56          2HD       ARG  56   3.088   7.913   1.639
  390   2HD   ARG  56          1HD       ARG  56   4.307   6.882   2.390
  391    HE   ARG  56           HE       ARG  56   5.609   7.952   0.188
  392   1HH1  ARG  56          1HH2      ARG  56   3.838   9.188   2.883
  393   2HH1  ARG  56          2HH2      ARG  56   4.727  10.673   2.948
  394   1HH2  ARG  56          2HH1      ARG  56   6.769   9.879   0.263
  395   2HH2  ARG  56          1HH1      ARG  56   6.385  11.063   1.467
  396    H    LYS  57           H        LYS  57   0.943   5.920  -1.383
  397    HA   LYS  57           HA       LYS  57   2.445   5.780  -3.828
  398   1HB   LYS  57          2HB       LYS  57   0.593   4.675  -5.186
  399   2HB   LYS  57          1HB       LYS  57   1.509   3.591  -4.141
  400   1HG   LYS  57          2HG       LYS  57  -0.395   4.267  -2.390
  401   2HG   LYS  57          1HG       LYS  57  -1.307   4.553  -3.870
  402   1HD   LYS  57          2HD       LYS  57   0.234   1.994  -3.476
  403   2HD   LYS  57          1HD       LYS  57  -1.394   2.182  -2.823
  404   1HE   LYS  57          2HE       LYS  57  -2.198   2.812  -5.100
  405   2HE   LYS  57          1HE       LYS  57  -0.577   2.490  -5.726
  406   1HZ   LYS  57          1HZ       LYS  57  -1.676   0.500  -6.064
  407   2HZ   LYS  57          2HZ       LYS  57  -2.527   0.587  -4.596
  408   3HZ   LYS  57          3HZ       LYS  57  -0.868   0.222  -4.600
  409    H    TYR  58           H        TYR  58   1.786   7.434  -5.232
  410    HA   TYR  58           HA       TYR  58  -0.814   8.763  -4.700
  411   1HB   TYR  58          2HB       TYR  58   1.839  10.233  -4.698
  412   2HB   TYR  58          1HB       TYR  58   0.248  10.969  -4.517
  413    HD1  TYR  58           HD1      TYR  58   3.007   9.427  -2.831
  414    HD2  TYR  58           HD2      TYR  58  -1.216  10.167  -2.529
  415    HE1  TYR  58           HE1      TYR  58   3.104   9.001  -0.391
  416    HE2  TYR  58           HE2      TYR  58  -1.114   9.741  -0.088
  417    HH   TYR  58           HH       TYR  58   0.272   8.608   1.520
  418    H    CYS  59           H        CYS  59  -1.527  10.062  -6.441
  419    HA   CYS  59           HA       CYS  59  -0.108   9.527  -9.013
  420   1HB   CYS  59          2HB       CYS  59  -2.384  10.199  -9.992
  421   2HB   CYS  59          1HB       CYS  59  -2.339   8.662  -9.122
  422    H    GLU  60           H        GLU  60  -1.040  11.519 -10.596
  423    HA   GLU  60           HA       GLU  60   0.469  13.801  -9.767
  424   1HB   GLU  60          2HB       GLU  60  -0.097  13.270 -12.146
  425   2HB   GLU  60          1HB       GLU  60  -1.775  13.703 -11.813
  426   1HG   GLU  60          2HG       GLU  60  -1.299  15.963 -11.604
  427   2HG   GLU  60          1HG       GLU  60   0.368  15.675 -11.103
  428    H    HIS  61           H        HIS  61  -2.520  12.678  -8.695
  429    HA   HIS  61           HA       HIS  61  -3.731  15.301  -8.209
  430   1HB   HIS  61          2HB       HIS  61  -5.511  13.878  -8.293
  431   2HB   HIS  61          1HB       HIS  61  -4.518  12.476  -7.914
  432    HD2  HIS  61           HD2      HIS  61  -5.941  15.536  -5.773
  433    HE1  HIS  61           HE1      HIS  61  -5.888  12.069  -3.367
  434    HE2  HIS  61           HE2      HIS  61  -6.490  14.533  -3.427
  435    H    ASP  62           H        ASP  62  -2.914  12.706  -5.879
  436    HA   ASP  62           HA       ASP  62  -2.853  14.387  -3.620
  437   1HB   ASP  62          2HB       ASP  62  -2.396  11.691  -4.108
  438   2HB   ASP  62          1HB       ASP  62  -0.854  12.276  -3.492
  439    H    PHE  63           H        PHE  63  -0.237  13.513  -5.852
  440    HA   PHE  63           HA       PHE  63   1.800  14.910  -4.397
  441   1HB   PHE  63          2HB       PHE  63   1.715  13.246  -6.634
  442   2HB   PHE  63          1HB       PHE  63   2.304  14.786  -7.259
  443    HD1  PHE  63           HD1      PHE  63   4.458  15.666  -6.614
  444    HD2  PHE  63           HD2      PHE  63   2.899  12.125  -4.748
  445    HE1  PHE  63           HE1      PHE  63   6.666  15.240  -5.569
  446    HE2  PHE  63           HE2      PHE  63   5.108  11.700  -3.707
  447    HZ   PHE  63           HZ       PHE  63   6.992  13.259  -4.117
  448    H    GLN  64           H        GLN  64  -0.321  15.967  -7.130
  449    HA   GLN  64           HA       GLN  64   1.012  18.547  -7.257
  450   1HB   GLN  64          2HB       GLN  64  -0.601  19.191  -8.837
  451   2HB   GLN  64          1HB       GLN  64  -0.510  17.450  -9.069
  452   1HG   GLN  64          2HG       GLN  64  -2.800  17.658  -8.906
  453   2HG   GLN  64          1HG       GLN  64  -2.430  17.500  -7.193
  454   1HE2  GLN  64          1HE2      GLN  64  -2.416  20.191  -9.613
  455   2HE2  GLN  64          2HE2      GLN  64  -3.199  21.299  -8.593
  456    H    MET  65           H        MET  65  -1.297  17.126  -5.175
  457    HA   MET  65           HA       MET  65  -2.597  19.516  -4.217
  458   1HB   MET  65          2HB       MET  65  -3.105  16.930  -3.785
  459   2HB   MET  65          1HB       MET  65  -2.057  17.192  -2.392
  460   1HG   MET  65          2HG       MET  65  -4.337  19.074  -2.990
  461   2HG   MET  65          1HG       MET  65  -4.603  17.585  -2.083
  462   1HE   MET  65          1HE       MET  65  -3.498  21.481  -0.443
  463   2HE   MET  65          2HE       MET  65  -4.913  20.811  -1.250
  464   3HE   MET  65          3HE       MET  65  -3.446  21.124  -2.175
  465    H    LEU  66           H        LEU  66   0.342  17.749  -3.399
  466    HA   LEU  66           HA       LEU  66   1.086  19.553  -1.209
  467   1HB   LEU  66          2HB       LEU  66   3.067  17.826  -2.680
  468   2HB   LEU  66          1HB       LEU  66   2.984  18.199  -0.958
  469    HG   LEU  66           HG       LEU  66   1.082  16.405  -2.489
  470   1HD1  LEU  66          1HD1      LEU  66   3.117  15.766  -0.333
  471   2HD1  LEU  66          2HD1      LEU  66   3.328  15.435  -2.052
  472   3HD1  LEU  66          3HD1      LEU  66   2.062  14.609  -1.143
  473   1HD2  LEU  66          1HD2      LEU  66   0.266  15.890  -0.119
  474   2HD2  LEU  66          2HD2      LEU  66  -0.175  17.477  -0.748
  475   3HD2  LEU  66          3HD2      LEU  66   1.156  17.321   0.399
  476    H    PHE  67           H        PHE  67   1.242  19.479  -4.614
  477    HA   PHE  67           HA       PHE  67   2.190  20.870  -6.212
  478   1HB   PHE  67          2HB       PHE  67   2.169  22.687  -3.793
  479   2HB   PHE  67          1HB       PHE  67   2.671  23.241  -5.390
  480    HD1  PHE  67           HD1      PHE  67  -0.113  22.649  -3.220
  481    HD2  PHE  67           HD2      PHE  67   1.029  22.815  -7.360
  482    HE1  PHE  67           HE1      PHE  67  -2.489  22.941  -3.865
  483    HE2  PHE  67           HE2      PHE  67  -1.348  23.107  -8.003
  484    HZ   PHE  67           HZ       PHE  67  -3.107  23.170  -6.255
  485    H    ALA  68           H        ALA  68   3.949  19.021  -5.383
  486    HA   ALA  68           HA       ALA  68   6.523  20.533  -5.203
  487   1HB   ALA  68          1HB       ALA  68   6.121  19.513  -3.023
  488   2HB   ALA  68          2HB       ALA  68   7.419  18.640  -3.837
  489   3HB   ALA  68          3HB       ALA  68   5.794  17.954  -3.779
  490    HA   PRO  69           HA       PRO  69   6.482  18.021  -9.035
  491   1HB   PRO  69          2HB       PRO  69   8.563  19.755  -9.999
  492   2HB   PRO  69          1HB       PRO  69   6.878  19.679 -10.532
  493   1HG   PRO  69          2HG       PRO  69   8.135  21.746  -8.962
  494   2HG   PRO  69          1HG       PRO  69   6.451  21.663  -9.496
  495   1HD   PRO  69          2HD       PRO  69   7.481  21.273  -6.830
  496   2HD   PRO  69          1HD       PRO  69   5.791  21.203  -7.369
  497    H    CYS  70           H        CYS  70   8.716  18.615  -6.568
  498    HA   CYS  70           HA       CYS  70  11.085  17.411  -7.684
  499   1HB   CYS  70          2HB       CYS  70  11.058  18.830  -5.621
  500   2HB   CYS  70          1HB       CYS  70  10.228  17.525  -4.774
  501    HG   CYS  70           HG       CYS  70  12.539  16.144  -5.752
  Start of MODEL    7
    1    H    MET   1           1H       MET   1   4.975 -19.613  -8.930
    2    HA   MET   1           HA       MET   1   6.625 -21.353  -7.715
    3   1HB   MET   1          2HB       MET   1   7.003 -18.588  -6.539
    4   2HB   MET   1          1HB       MET   1   7.295 -20.061  -5.614
    5   1HG   MET   1          2HG       MET   1   8.620 -19.433  -8.268
    6   2HG   MET   1          1HG       MET   1   9.365 -19.144  -6.696
    7   1HE   MET   1          1HE       MET   1  11.194 -20.671  -8.224
    8   2HE   MET   1          2HE       MET   1   9.962 -21.090  -9.413
    9   3HE   MET   1          3HE       MET   1  10.891 -22.366  -8.629
   10    H    ALA   2           H        ALA   2   5.746 -21.851  -5.446
   11    HA   ALA   2           HA       ALA   2   3.861 -22.356  -4.148
   12   1HB   ALA   2          1HB       ALA   2   3.729 -19.417  -4.645
   13   2HB   ALA   2          2HB       ALA   2   3.820 -20.296  -3.120
   14   3HB   ALA   2          3HB       ALA   2   2.286 -20.184  -3.981
   15    H    ASN   3           H        ASN   3   3.235 -23.783  -6.004
   16    HA   ASN   3           HA       ASN   3   1.180 -22.823  -7.849
   17   1HB   ASN   3          2HB       ASN   3   1.040 -25.307  -8.427
   18   2HB   ASN   3          1HB       ASN   3   2.614 -24.554  -8.677
   19   1HD2  ASN   3          1HD2      ASN   3   0.863 -26.919  -6.755
   20   2HD2  ASN   3          2HD2      ASN   3   2.206 -27.484  -5.883
   21    H    ALA   4           H        ALA   4   0.263 -22.235  -5.351
   22    HA   ALA   4           HA       ALA   4  -2.200 -23.796  -5.217
   23   1HB   ALA   4          1HB       ALA   4  -0.813 -25.264  -3.870
   24   2HB   ALA   4          2HB       ALA   4  -1.890 -24.382  -2.787
   25   3HB   ALA   4          3HB       ALA   4  -0.200 -23.897  -2.938
   26    H    LEU   5           H        LEU   5  -0.116 -21.465  -3.493
   27    HA   LEU   5           HA       LEU   5  -2.492 -20.003  -2.523
   28   1HB   LEU   5          2HB       LEU   5   0.485 -19.742  -2.100
   29   2HB   LEU   5          1HB       LEU   5  -0.609 -18.446  -1.623
   30    HG   LEU   5           HG       LEU   5  -1.944 -20.228  -0.357
   31   1HD1  LEU   5          1HD1      LEU   5  -0.340 -22.167   0.333
   32   2HD1  LEU   5          2HD1      LEU   5   0.510 -21.781  -1.163
   33   3HD1  LEU   5          3HD1      LEU   5  -1.180 -22.280  -1.213
   34   1HD2  LEU   5          1HD2      LEU   5  -0.396 -20.164   1.571
   35   2HD2  LEU   5          2HD2      LEU   5  -0.465 -18.597   0.765
   36   3HD2  LEU   5          3HD2      LEU   5   0.915 -19.664   0.502
   37    H    ALA   6           H        ALA   6   0.499 -18.876  -4.139
   38    HA   ALA   6           HA       ALA   6  -0.897 -17.691  -6.370
   39   1HB   ALA   6          1HB       ALA   6  -0.072 -15.877  -4.083
   40   2HB   ALA   6          2HB       ALA   6  -1.691 -16.073  -4.752
   41   3HB   ALA   6          3HB       ALA   6  -0.429 -15.296  -5.709
   42    H    SER   7           H        SER   7   0.701 -16.071  -7.507
   43    HA   SER   7           HA       SER   7   3.538 -16.706  -6.899
   44   1HB   SER   7          2HB       SER   7   2.575 -16.956  -9.736
   45   2HB   SER   7          1HB       SER   7   4.029 -17.620  -8.999
   46    HG   SER   7           HG       SER   7   2.668 -19.028  -7.807
   47    H    ALA   8           H        ALA   8   3.441 -14.416  -6.278
   48    HA   ALA   8           HA       ALA   8   3.903 -12.165  -6.702
   49   1HB   ALA   8          1HB       ALA   8   5.181 -11.650  -8.586
   50   2HB   ALA   8          2HB       ALA   8   4.295 -12.769  -9.620
   51   3HB   ALA   8          3HB       ALA   8   5.453 -13.386  -8.442
   52    H    THR   9           H        THR   9   1.900 -11.215  -6.402
   53    HA   THR   9           HA       THR   9   0.207 -10.922  -8.855
   54    HB   THR   9           HB       THR   9  -1.778 -10.957  -7.459
   55    HG1  THR   9           HG1      THR   9  -0.636  -9.954  -5.649
   56   1HG2  THR   9          1HG2      THR   9  -0.771 -13.148  -8.135
   57   2HG2  THR   9          2HG2      THR   9  -1.714 -13.243  -6.649
   58   3HG2  THR   9          3HG2      THR   9   0.048 -13.208  -6.574
   59    H    CYS  10           H        CYS  10  -1.081  -8.901  -8.864
   60    HA   CYS  10           HA       CYS  10   0.541  -6.611  -8.277
   61   1HB   CYS  10          2HB       CYS  10  -1.187  -6.763 -10.088
   62   2HB   CYS  10          1HB       CYS  10  -2.414  -6.632  -8.838
   63    H    GLU  11           H        GLU  11  -0.054  -4.798  -6.906
   64    HA   GLU  11           HA       GLU  11  -0.893  -5.719  -4.236
   65   1HB   GLU  11          2HB       GLU  11   1.111  -4.363  -4.389
   66   2HB   GLU  11          1HB       GLU  11   0.245  -3.117  -5.289
   67   1HG   GLU  11          2HG       GLU  11   0.458  -2.409  -2.965
   68   2HG   GLU  11          1HG       GLU  11  -1.235  -2.778  -3.292
   69    H    ARG  12           H        ARG  12  -1.891  -3.307  -6.665
   70    HA   ARG  12           HA       ARG  12  -4.305  -2.695  -5.044
   71   1HB   ARG  12          2HB       ARG  12  -3.162  -1.384  -7.531
   72   2HB   ARG  12          1HB       ARG  12  -4.605  -0.837  -6.682
   73   1HG   ARG  12          2HG       ARG  12  -3.114   0.464  -5.540
   74   2HG   ARG  12          1HG       ARG  12  -2.880  -1.001  -4.598
   75   1HD   ARG  12          2HD       ARG  12  -1.072  -1.634  -6.281
   76   2HD   ARG  12          1HD       ARG  12  -1.186   0.029  -6.876
   77    HE   ARG  12           HE       ARG  12  -0.837   0.430  -4.204
   78   1HH1  ARG  12          1HH2      ARG  12   0.726  -1.623  -6.496
   79   2HH1  ARG  12          2HH2      ARG  12   2.282  -1.478  -5.753
   80   1HH2  ARG  12          2HH1      ARG  12   1.179   0.622  -3.230
   81   2HH2  ARG  12          1HH1      ARG  12   2.538  -0.207  -3.907
   82    H    CYS  13           H        CYS  13  -3.786  -5.195  -6.774
   83    HA   CYS  13           HA       CYS  13  -6.501  -5.338  -7.825
   84   1HB   CYS  13          2HB       CYS  13  -6.138  -5.109 -10.049
   85   2HB   CYS  13          1HB       CYS  13  -4.637  -4.314  -9.581
   86    H    LYS  14           H        LYS  14  -3.383  -6.775  -7.181
   87    HA   LYS  14           HA       LYS  14  -2.795  -8.978  -6.663
   88   1HB   LYS  14          2HB       LYS  14  -5.184  -8.620  -5.467
   89   2HB   LYS  14          1HB       LYS  14  -5.612  -9.899  -6.599
   90   1HG   LYS  14          2HG       LYS  14  -4.884 -11.105  -4.722
   91   2HG   LYS  14          1HG       LYS  14  -3.446 -11.070  -5.743
   92   1HD   LYS  14          2HD       LYS  14  -2.469  -9.293  -4.464
   93   2HD   LYS  14          1HD       LYS  14  -3.978  -8.998  -3.600
   94   1HE   LYS  14          2HE       LYS  14  -2.419 -10.259  -2.179
   95   2HE   LYS  14          1HE       LYS  14  -3.821 -11.251  -2.578
   96   1HZ   LYS  14          1HZ       LYS  14  -1.275 -12.020  -2.915
   97   2HZ   LYS  14          2HZ       LYS  14  -1.635 -11.422  -4.464
   98   3HZ   LYS  14          3HZ       LYS  14  -2.585 -12.657  -3.783
   99    H    GLY  15           H        GLY  15  -2.879  -8.288  -9.392
  100   1HA   GLY  15          2HA       GLY  15  -4.155 -10.612 -10.736
  101   2HA   GLY  15          1HA       GLY  15  -3.437  -9.221 -11.551
  102    H    GLY  16           H        GLY  16  -2.943 -12.421 -10.985
  103   1HA   GLY  16          2HA       GLY  16  -0.224 -12.652 -10.234
  104   2HA   GLY  16          1HA       GLY  16  -1.074 -13.816 -11.253
  105    H    PHE  17           H        PHE  17   1.192 -11.218 -11.204
  106    HA   PHE  17           HA       PHE  17   1.337 -11.273 -14.189
  107   1HB   PHE  17          2HB       PHE  17   2.717  -9.117 -13.817
  108   2HB   PHE  17          1HB       PHE  17   0.978  -9.028 -13.602
  109    HD1  PHE  17           HD1      PHE  17   1.276  -6.986 -12.218
  110    HD2  PHE  17           HD2      PHE  17   2.954 -10.761 -11.024
  111    HE1  PHE  17           HE1      PHE  17   1.638  -6.109  -9.942
  112    HE2  PHE  17           HE2      PHE  17   3.309  -9.874  -8.747
  113    HZ   PHE  17           HZ       PHE  17   2.650  -7.553  -8.206
  114    H    ALA  18           H        ALA  18   3.887 -10.376 -14.607
  115    HA   ALA  18           HA       ALA  18   5.912 -11.550 -12.990
  116   1HB   ALA  18          1HB       ALA  18   4.482 -13.413 -14.707
  117   2HB   ALA  18          2HB       ALA  18   5.696 -13.741 -13.471
  118   3HB   ALA  18          3HB       ALA  18   6.197 -13.353 -15.116
  119    HA   PRO  19           HA       PRO  19   7.674 -10.647 -17.450
  120   1HB   PRO  19          2HB       PRO  19   5.570  -9.258 -18.869
  121   2HB   PRO  19          1HB       PRO  19   6.412 -10.743 -19.332
  122   1HG   PRO  19          2HG       PRO  19   3.716 -10.499 -18.373
  123   2HG   PRO  19          1HG       PRO  19   4.587 -11.986 -18.774
  124   1HD   PRO  19          2HD       PRO  19   3.854 -11.015 -16.164
  125   2HD   PRO  19          1HD       PRO  19   4.720 -12.510 -16.567
  126    H    ALA  20           H        ALA  20   8.672  -8.625 -17.931
  127    HA   ALA  20           HA       ALA  20   8.422  -6.566 -15.972
  128   1HB   ALA  20          1HB       ALA  20   9.649  -6.417 -18.743
  129   2HB   ALA  20          2HB       ALA  20  10.483  -6.943 -17.280
  130   3HB   ALA  20          3HB       ALA  20   9.935  -5.274 -17.430
  131    H    GLU  21           H        GLU  21   6.518  -7.231 -18.724
  132    HA   GLU  21           HA       GLU  21   5.683  -4.455 -19.188
  133   1HB   GLU  21          2HB       GLU  21   4.348  -6.979 -20.200
  134   2HB   GLU  21          1HB       GLU  21   4.244  -5.357 -20.884
  135   1HG   GLU  21          2HG       GLU  21   5.860  -6.185 -22.287
  136   2HG   GLU  21          1HG       GLU  21   6.920  -5.682 -20.971
  137    H    LYS  22           H        LYS  22   4.322  -7.410 -17.745
  138    HA   LYS  22           HA       LYS  22   1.942  -5.927 -16.837
  139   1HB   LYS  22          2HB       LYS  22   2.794  -8.806 -16.390
  140   2HB   LYS  22          1HB       LYS  22   1.241  -8.122 -15.909
  141   1HG   LYS  22          2HG       LYS  22   2.246  -8.077 -18.767
  142   2HG   LYS  22          1HG       LYS  22   1.230  -9.367 -18.126
  143   1HD   LYS  22          2HD       LYS  22  -0.471  -7.646 -17.481
  144   2HD   LYS  22          1HD       LYS  22   0.525  -6.420 -18.265
  145   1HE   LYS  22          2HE       LYS  22  -1.150  -7.103 -19.858
  146   2HE   LYS  22          1HE       LYS  22   0.387  -7.788 -20.387
  147   1HZ   LYS  22          1HZ       LYS  22  -1.310  -9.368 -18.593
  148   2HZ   LYS  22          2HZ       LYS  22  -0.234  -9.886 -19.802
  149   3HZ   LYS  22          3HZ       LYS  22  -1.754  -9.255 -20.226
  150    H    ILE  23           H        ILE  23   4.945  -7.229 -15.545
  151    HA   ILE  23           HA       ILE  23   4.149  -6.505 -12.793
  152    HB   ILE  23           HB       ILE  23   5.824  -8.479 -13.868
  153   1HG1  ILE  23          2HG1      ILE  23   4.555  -8.685 -11.807
  154   2HG1  ILE  23          1HG1      ILE  23   6.251  -9.012 -11.470
  155   1HG2  ILE  23          1HG2      ILE  23   7.475  -6.401 -12.398
  156   2HG2  ILE  23          2HG2      ILE  23   7.670  -6.883 -14.082
  157   3HG2  ILE  23          3HG2      ILE  23   8.013  -8.032 -12.792
  158   1HD1  ILE  23          1HD1      ILE  23   4.603  -6.612 -10.726
  159   2HD1  ILE  23          2HD1      ILE  23   6.345  -6.435 -10.930
  160   3HD1  ILE  23          3HD1      ILE  23   5.708  -7.556  -9.729
  161    H    VAL  24           H        VAL  24   4.697  -4.594 -11.887
  162    HA   VAL  24           HA       VAL  24   6.964  -3.039 -13.044
  163    HB   VAL  24           HB       VAL  24   4.422  -1.650 -12.196
  164   1HG1  VAL  24          1HG1      VAL  24   6.665  -0.951 -14.115
  165   2HG1  VAL  24          2HG1      VAL  24   6.473  -0.323 -12.478
  166   3HG1  VAL  24          3HG1      VAL  24   5.294   0.086 -13.723
  167   1HG2  VAL  24          1HG2      VAL  24   3.757  -1.607 -14.605
  168   2HG2  VAL  24          2HG2      VAL  24   3.720  -3.236 -13.933
  169   3HG2  VAL  24          3HG2      VAL  24   5.063  -2.738 -14.962
  170    H    ASN  25           H        ASN  25   7.883  -4.070 -11.022
  171    HA   ASN  25           HA       ASN  25   6.872  -3.059  -8.468
  172   1HB   ASN  25          2HB       ASN  25   7.783  -5.241  -8.352
  173   2HB   ASN  25          1HB       ASN  25   9.230  -4.779  -9.246
  174   1HD2  ASN  25          1HD2      ASN  25  10.719  -3.184  -8.087
  175   2HD2  ASN  25          2HD2      ASN  25  10.784  -3.228  -6.391
  176    H    SER  26           H        SER  26   7.631  -1.312  -7.402
  177    HA   SER  26           HA       SER  26  10.263  -0.188  -7.950
  178   1HB   SER  26          2HB       SER  26   9.481   0.987  -9.755
  179   2HB   SER  26          1HB       SER  26   7.801   0.875  -9.229
  180    HG   SER  26           HG       SER  26   8.210   2.924  -8.772
  181    H    ASN  27           H        ASN  27  10.749   1.551  -6.441
  182    HA   ASN  27           HA       ASN  27  10.661   2.590  -4.352
  183   1HB   ASN  27          2HB       ASN  27   7.719   2.339  -4.962
  184   2HB   ASN  27          1HB       ASN  27   8.282   2.999  -3.428
  185   1HD2  ASN  27          1HD2      ASN  27   9.034   3.396  -6.944
  186   2HD2  ASN  27          2HD2      ASN  27   9.201   5.083  -6.861
  187    H    GLY  28           H        GLY  28   7.962   0.261  -4.113
  188   1HA   GLY  28          2HA       GLY  28   9.384  -1.713  -2.645
  189   2HA   GLY  28          1HA       GLY  28   8.660  -0.602  -1.485
  190    H    GLU  29           H        GLU  29   7.207  -1.450  -4.597
  191    HA   GLU  29           HA       GLU  29   5.339  -3.353  -3.354
  192   1HB   GLU  29          2HB       GLU  29   4.652  -0.527  -3.836
  193   2HB   GLU  29          1HB       GLU  29   3.509  -1.676  -4.529
  194   1HG   GLU  29          2HG       GLU  29   2.748  -2.332  -2.496
  195   2HG   GLU  29          1HG       GLU  29   4.367  -2.364  -1.800
  196    H    LEU  30           H        LEU  30   3.595  -3.947  -5.113
  197    HA   LEU  30           HA       LEU  30   4.975  -4.041  -7.771
  198   1HB   LEU  30          2HB       LEU  30   2.922  -6.063  -6.894
  199   2HB   LEU  30          1HB       LEU  30   4.187  -6.231  -8.107
  200    HG   LEU  30           HG       LEU  30   4.908  -7.535  -6.254
  201   1HD1  LEU  30          1HD1      LEU  30   6.993  -6.709  -6.278
  202   2HD1  LEU  30          2HD1      LEU  30   6.513  -5.321  -5.304
  203   3HD1  LEU  30          3HD1      LEU  30   6.355  -5.265  -7.058
  204   1HD2  LEU  30          1HD2      LEU  30   4.920  -5.471  -4.173
  205   2HD2  LEU  30          2HD2      LEU  30   4.331  -7.131  -4.106
  206   3HD2  LEU  30          3HD2      LEU  30   3.296  -5.855  -4.745
  207    H    TYR  31           H        TYR  31   3.846  -3.147  -9.438
  208    HA   TYR  31           HA       TYR  31   0.882  -2.914  -9.177
  209   1HB   TYR  31          2HB       TYR  31   2.255  -0.657 -10.523
  210   2HB   TYR  31          1HB       TYR  31   0.795  -0.640  -9.558
  211    HD1  TYR  31           HD1      TYR  31   4.393  -1.557  -8.882
  212    HD2  TYR  31           HD2      TYR  31   0.979   0.785  -7.749
  213    HE1  TYR  31           HE1      TYR  31   5.695  -0.594  -7.022
  214    HE2  TYR  31           HE2      TYR  31   2.280   1.757  -5.870
  215    HH   TYR  31           HH       TYR  31   5.507   1.714  -5.661
  216    H    HIS  32           H        HIS  32  -0.178  -2.722 -11.219
  217    HA   HIS  32           HA       HIS  32   1.237  -4.054 -13.440
  218   1HB   HIS  32          2HB       HIS  32  -1.607  -3.381 -12.788
  219   2HB   HIS  32          1HB       HIS  32  -1.180  -3.533 -14.486
  220    HD2  HIS  32           HD2      HIS  32   0.138  -6.178 -15.031
  221    HE1  HIS  32           HE1      HIS  32  -1.959  -7.996 -11.855
  222    HE2  HIS  32           HE2      HIS  32  -0.593  -8.439 -13.946
  223    H    GLU  33           H        GLU  33   0.193  -2.882 -15.665
  224    HA   GLU  33           HA       GLU  33   1.588  -0.327 -15.714
  225   1HB   GLU  33          2HB       GLU  33  -0.222  -1.180 -17.950
  226   2HB   GLU  33          1HB       GLU  33   1.366  -0.417 -18.032
  227   1HG   GLU  33          2HG       GLU  33   2.089  -2.515 -18.556
  228   2HG   GLU  33          1HG       GLU  33   1.993  -2.779 -16.815
  229    H    GLN  34           H        GLN  34  -1.671  -1.440 -15.323
  230    HA   GLN  34           HA       GLN  34  -2.576   1.406 -15.169
  231   1HB   GLN  34          2HB       GLN  34  -3.425  -0.072 -17.169
  232   2HB   GLN  34          1HB       GLN  34  -4.467  -0.800 -15.945
  233   1HG   GLN  34          2HG       GLN  34  -4.781   1.882 -15.418
  234   2HG   GLN  34          1HG       GLN  34  -4.600   1.879 -17.172
  235   1HE2  GLN  34          1HE2      GLN  34  -6.216   0.700 -18.443
  236   2HE2  GLN  34          2HE2      GLN  34  -7.698   0.233 -17.761
  237    H    CYS  35           H        CYS  35  -1.592   0.180 -12.945
  238    HA   CYS  35           HA       CYS  35  -4.064  -0.309 -11.332
  239   1HB   CYS  35          2HB       CYS  35  -1.467  -1.809 -11.344
  240   2HB   CYS  35          1HB       CYS  35  -2.428  -1.741  -9.874
  241    H    PHE  36           H        PHE  36  -1.249   1.469 -11.877
  242    HA   PHE  36           HA       PHE  36  -0.414   2.199  -9.263
  243   1HB   PHE  36          2HB       PHE  36  -0.345   3.595 -11.932
  244   2HB   PHE  36          1HB       PHE  36   0.196   4.416 -10.482
  245    HD1  PHE  36           HD1      PHE  36   0.671   1.253 -12.405
  246    HD2  PHE  36           HD2      PHE  36   2.355   4.088  -9.680
  247    HE1  PHE  36           HE1      PHE  36   2.863   0.104 -12.563
  248    HE2  PHE  36           HE2      PHE  36   4.548   2.942  -9.822
  249    HZ   PHE  36           HZ       PHE  36   4.803   0.946 -11.271
  250    H    VAL  37           H        VAL  37  -2.227   2.573  -7.887
  251    HA   VAL  37           HA       VAL  37  -4.110   4.739  -8.694
  252    HB   VAL  37           HB       VAL  37  -5.459   3.979  -6.737
  253   1HG1  VAL  37          1HG1      VAL  37  -4.776   2.181  -9.045
  254   2HG1  VAL  37          2HG1      VAL  37  -6.265   3.070  -8.728
  255   3HG1  VAL  37          3HG1      VAL  37  -5.900   1.608  -7.814
  256   1HG2  VAL  37          1HG2      VAL  37  -3.111   2.163  -6.478
  257   2HG2  VAL  37          2HG2      VAL  37  -4.701   1.493  -6.117
  258   3HG2  VAL  37          3HG2      VAL  37  -4.113   2.896  -5.227
  259    H    CYS  38           H        CYS  38  -4.806   6.213  -6.979
  260    HA   CYS  38           HA       CYS  38  -2.462   7.262  -5.514
  261   1HB   CYS  38          2HB       CYS  38  -3.937   8.777  -6.837
  262   2HB   CYS  38          1HB       CYS  38  -5.280   8.343  -5.787
  263    H    ALA  39           H        ALA  39  -2.176   6.606  -3.435
  264    HA   ALA  39           HA       ALA  39  -3.881   4.938  -1.962
  265   1HB   ALA  39          1HB       ALA  39  -2.116   7.015  -0.654
  266   2HB   ALA  39          2HB       ALA  39  -1.453   5.587  -1.449
  267   3HB   ALA  39          3HB       ALA  39  -2.525   5.405  -0.063
  268    H    GLN  40           H        GLN  40  -4.483   8.147  -2.806
  269    HA   GLN  40           HA       GLN  40  -6.318   8.549  -0.483
  270   1HB   GLN  40          2HB       GLN  40  -5.427  10.634  -2.488
  271   2HB   GLN  40          1HB       GLN  40  -6.203  10.903  -0.927
  272   1HG   GLN  40          2HG       GLN  40  -3.857   9.311  -0.500
  273   2HG   GLN  40          1HG       GLN  40  -3.409  10.697  -1.490
  274   1HE2  GLN  40          1HE2      GLN  40  -2.258  11.683   0.325
  275   2HE2  GLN  40          2HE2      GLN  40  -3.102  12.389   1.619
  276    H    CYS  41           H        CYS  41  -6.296   9.538  -3.952
  277    HA   CYS  41           HA       CYS  41  -9.219   9.321  -4.027
  278   1HB   CYS  41          2HB       CYS  41  -9.043  10.103  -6.319
  279   2HB   CYS  41          1HB       CYS  41  -7.963  11.068  -5.316
  280    H    PHE  42           H        PHE  42  -6.659   7.169  -4.379
  281    HA   PHE  42           HA       PHE  42  -6.502   4.966  -5.131
  282   1HB   PHE  42          2HB       PHE  42  -9.526   5.064  -4.977
  283   2HB   PHE  42          1HB       PHE  42  -8.517   3.617  -4.979
  284    HD1  PHE  42           HD1      PHE  42 -10.235   5.868  -2.905
  285    HD2  PHE  42           HD2      PHE  42  -6.546   3.677  -3.145
  286    HE1  PHE  42           HE1      PHE  42  -9.967   6.046  -0.446
  287    HE2  PHE  42           HE2      PHE  42  -6.281   3.855  -0.687
  288    HZ   PHE  42           HZ       PHE  42  -7.992   5.040   0.663
  289    H    GLN  43           H        GLN  43  -7.312   7.320  -7.101
  290    HA   GLN  43           HA       GLN  43  -8.552   5.878  -9.310
  291   1HB   GLN  43          2HB       GLN  43  -8.679   8.380  -9.004
  292   2HB   GLN  43          1HB       GLN  43  -6.961   8.464  -9.388
  293   1HG   GLN  43          2HG       GLN  43  -8.089   8.896 -11.444
  294   2HG   GLN  43          1HG       GLN  43  -7.530   7.229 -11.559
  295   1HE2  GLN  43          1HE2      GLN  43  -9.299   6.742 -13.089
  296   2HE2  GLN  43          2HE2      GLN  43 -10.893   6.559 -12.535
  297    H    GLN  44           H        GLN  44  -7.449   4.385 -10.537
  298    HA   GLN  44           HA       GLN  44  -4.585   4.104 -10.288
  299   1HB   GLN  44          2HB       GLN  44  -4.776   2.192 -11.620
  300   2HB   GLN  44          1HB       GLN  44  -6.297   2.249 -10.761
  301   1HG   GLN  44          2HG       GLN  44  -5.919   3.396 -13.539
  302   2HG   GLN  44          1HG       GLN  44  -6.535   1.775 -13.226
  303   1HE2  GLN  44          1HE2      GLN  44  -7.300   5.227 -12.927
  304   2HE2  GLN  44          2HE2      GLN  44  -8.947   5.005 -12.575
  305    H    PHE  45           H        PHE  45  -3.325   3.849 -12.458
  306    HA   PHE  45           HA       PHE  45  -4.083   5.896 -14.444
  307   1HB   PHE  45          2HB       PHE  45  -1.751   6.133 -12.554
  308   2HB   PHE  45          1HB       PHE  45  -1.705   6.906 -14.137
  309    HD1  PHE  45           HD1      PHE  45  -2.961   7.122 -10.767
  310    HD2  PHE  45           HD2      PHE  45  -3.637   8.438 -14.795
  311    HE1  PHE  45           HE1      PHE  45  -4.389   8.967  -9.924
  312    HE2  PHE  45           HE2      PHE  45  -5.061  10.288 -13.954
  313    HZ   PHE  45           HZ       PHE  45  -5.438  10.550 -11.517
  314    HA   PRO  46           HA       PRO  46  -2.296   2.629 -16.894
  315   1HB   PRO  46          2HB       PRO  46  -2.424   4.326 -19.195
  316   2HB   PRO  46          1HB       PRO  46  -3.506   2.996 -18.770
  317   1HG   PRO  46          2HG       PRO  46  -4.069   5.827 -18.676
  318   2HG   PRO  46          1HG       PRO  46  -5.153   4.490 -18.273
  319   1HD   PRO  46          2HD       PRO  46  -3.888   6.333 -16.462
  320   2HD   PRO  46          1HD       PRO  46  -4.953   4.972 -16.059
  321    H    GLU  47           H        GLU  47  -1.044   5.711 -16.223
  322    HA   GLU  47           HA       GLU  47   1.182   5.929 -17.958
  323   1HB   GLU  47          2HB       GLU  47   0.767   6.771 -15.083
  324   2HB   GLU  47          1HB       GLU  47   2.254   7.137 -15.957
  325   1HG   GLU  47          2HG       GLU  47   1.093   9.031 -16.528
  326   2HG   GLU  47          1HG       GLU  47   0.454   7.977 -17.789
  327    H    GLY  48           H        GLY  48   0.596   3.786 -15.272
  328   1HA   GLY  48          2HA       GLY  48   1.807   1.895 -14.576
  329   2HA   GLY  48          1HA       GLY  48   2.867   2.134 -15.964
  330    H    LEU  49           H        LEU  49   2.728   5.018 -14.289
  331    HA   LEU  49           HA       LEU  49   4.489   4.541 -12.089
  332   1HB   LEU  49          2HB       LEU  49   6.102   3.930 -13.823
  333   2HB   LEU  49          1HB       LEU  49   5.779   5.426 -14.691
  334    HG   LEU  49           HG       LEU  49   7.881   5.267 -13.157
  335   1HD1  LEU  49          1HD1      LEU  49   6.336   7.705 -12.462
  336   2HD1  LEU  49          2HD1      LEU  49   6.509   7.350 -14.180
  337   3HD1  LEU  49          3HD1      LEU  49   7.942   7.550 -13.173
  338   1HD2  LEU  49          1HD2      LEU  49   6.273   4.484 -11.221
  339   2HD2  LEU  49          2HD2      LEU  49   5.997   6.214 -11.019
  340   3HD2  LEU  49          3HD2      LEU  49   7.623   5.557 -10.859
  341    H    PHE  50           H        PHE  50   3.912   6.231 -10.828
  342    HA   PHE  50           HA       PHE  50   3.862   8.941 -12.051
  343   1HB   PHE  50          2HB       PHE  50   1.854   9.492 -10.620
  344   2HB   PHE  50          1HB       PHE  50   1.532   8.390 -11.949
  345    HD1  PHE  50           HD1      PHE  50   3.364   6.881  -9.177
  346    HD2  PHE  50           HD2      PHE  50  -0.563   7.857 -10.632
  347    HE1  PHE  50           HE1      PHE  50   2.367   5.281  -7.580
  348    HE2  PHE  50           HE2      PHE  50  -1.548   6.249  -9.029
  349    HZ   PHE  50           HZ       PHE  50  -0.082   4.961  -7.505
  350    H    TYR  51           H        TYR  51   2.708   9.204  -8.950
  351    HA   TYR  51           HA       TYR  51   5.478   9.630  -7.920
  352   1HB   TYR  51          2HB       TYR  51   3.108  11.246  -7.848
  353   2HB   TYR  51          1HB       TYR  51   3.557  10.825  -6.197
  354    HD1  TYR  51           HD1      TYR  51   6.045  11.089  -5.537
  355    HD2  TYR  51           HD2      TYR  51   4.283  12.935  -8.991
  356    HE1  TYR  51           HE1      TYR  51   7.909  12.718  -5.614
  357    HE2  TYR  51           HE2      TYR  51   6.146  14.571  -9.068
  358    HH   TYR  51           HH       TYR  51   7.932  15.425  -6.869
  359    H    GLU  52           H        GLU  52   4.981   7.071  -7.789
  360    HA   GLU  52           HA       GLU  52   3.424   6.220  -5.506
  361   1HB   GLU  52          2HB       GLU  52   4.024   4.063  -6.105
  362   2HB   GLU  52          1HB       GLU  52   4.296   4.891  -7.637
  363   1HG   GLU  52          2HG       GLU  52   6.708   5.282  -6.731
  364   2HG   GLU  52          1HG       GLU  52   6.320   3.978  -5.608
  365    H    PHE  53           H        PHE  53   4.622   4.873  -3.716
  366    HA   PHE  53           HA       PHE  53   7.240   6.034  -2.970
  367   1HB   PHE  53          2HB       PHE  53   4.731   6.949  -1.866
  368   2HB   PHE  53          1HB       PHE  53   5.688   6.175  -0.603
  369    HD1  PHE  53           HD1      PHE  53   7.780   7.116   0.153
  370    HD2  PHE  53           HD2      PHE  53   5.644   8.895  -3.126
  371    HE1  PHE  53           HE1      PHE  53   9.238   9.118   0.286
  372    HE2  PHE  53           HE2      PHE  53   7.102  10.893  -2.990
  373    HZ   PHE  53           HZ       PHE  53   8.899  11.006  -1.285
  374    H    GLU  54           H        GLU  54   7.945   4.989  -0.780
  375    HA   GLU  54           HA       GLU  54   7.728   2.112  -1.103
  376   1HB   GLU  54          2HB       GLU  54   9.696   3.595  -0.142
  377   2HB   GLU  54          1HB       GLU  54   8.841   3.373   1.384
  378   1HG   GLU  54          2HG       GLU  54   9.678   1.105  -0.449
  379   2HG   GLU  54          1HG       GLU  54  10.587   1.623   0.970
  380    H    GLY  55           H        GLY  55   6.038   0.940  -0.369
  381   1HA   GLY  55          2HA       GLY  55   4.534   0.076   1.252
  382   2HA   GLY  55          1HA       GLY  55   4.978   1.396   2.333
  383    H    ARG  56           H        ARG  56   4.427   3.112  -0.295
  384    HA   ARG  56           HA       ARG  56   1.472   3.004  -0.329
  385   1HB   ARG  56          2HB       ARG  56   3.075   5.143   1.015
  386   2HB   ARG  56          1HB       ARG  56   1.659   5.645   0.092
  387   1HG   ARG  56          2HG       ARG  56   0.388   3.806   1.382
  388   2HG   ARG  56          1HG       ARG  56   1.775   3.786   2.469
  389   1HD   ARG  56          2HD       ARG  56   0.637   5.434   3.559
  390   2HD   ARG  56          1HD       ARG  56   1.309   6.470   2.299
  391    HE   ARG  56           HE       ARG  56  -1.040   5.494   1.185
  392   1HH1  ARG  56          1HH2      ARG  56  -0.135   7.133   4.087
  393   2HH1  ARG  56          2HH2      ARG  56  -1.654   7.947   4.252
  394   1HH2  ARG  56          2HH1      ARG  56  -3.021   6.554   1.392
  395   2HH2  ARG  56          1HH1      ARG  56  -3.284   7.619   2.732
  396    H    LYS  57           H        LYS  57   0.931   5.335  -1.659
  397    HA   LYS  57           HA       LYS  57   2.850   5.971  -3.696
  398   1HB   LYS  57          2HB       LYS  57   2.055   4.795  -5.570
  399   2HB   LYS  57          1HB       LYS  57   2.052   3.582  -4.295
  400   1HG   LYS  57          2HG       LYS  57  -0.378   5.246  -4.974
  401   2HG   LYS  57          1HG       LYS  57  -0.047   3.689  -5.727
  402   1HD   LYS  57          2HD       LYS  57   0.106   2.700  -3.409
  403   2HD   LYS  57          1HD       LYS  57  -0.496   4.240  -2.785
  404   1HE   LYS  57          2HE       LYS  57  -2.499   4.026  -4.234
  405   2HE   LYS  57          1HE       LYS  57  -1.894   2.467  -4.792
  406   1HZ   LYS  57          1HZ       LYS  57  -2.281   3.019  -1.918
  407   2HZ   LYS  57          2HZ       LYS  57  -2.169   1.516  -2.704
  408   3HZ   LYS  57          3HZ       LYS  57  -3.562   2.472  -2.886
  409    H    TYR  58           H        TYR  58   2.080   7.623  -5.124
  410    HA   TYR  58           HA       TYR  58  -0.692   8.602  -4.672
  411   1HB   TYR  58          2HB       TYR  58   1.814  10.267  -4.262
  412   2HB   TYR  58          1HB       TYR  58   0.175  10.915  -4.294
  413    HD1  TYR  58           HD1      TYR  58   2.706   9.253  -2.314
  414    HD2  TYR  58           HD2      TYR  58  -1.505  10.094  -2.558
  415    HE1  TYR  58           HE1      TYR  58   2.455   8.698   0.088
  416    HE2  TYR  58           HE2      TYR  58  -1.748   9.537  -0.153
  417    HH   TYR  58           HH       TYR  58   0.865   9.264   1.946
  418    H    CYS  59           H        CYS  59  -1.538   9.534  -6.524
  419    HA   CYS  59           HA       CYS  59   0.126   9.410  -8.944
  420   1HB   CYS  59          2HB       CYS  59  -1.971  10.098 -10.108
  421   2HB   CYS  59          1HB       CYS  59  -2.199   8.665  -9.103
  422    H    GLU  60           H        GLU  60  -0.303  11.457 -10.481
  423    HA   GLU  60           HA       GLU  60   1.076  13.642  -9.252
  424   1HB   GLU  60          2HB       GLU  60   0.915  13.015 -11.763
  425   2HB   GLU  60          1HB       GLU  60  -0.602  13.913 -11.749
  426   1HG   GLU  60          2HG       GLU  60   1.367  15.310 -12.433
  427   2HG   GLU  60          1HG       GLU  60   0.537  15.931 -11.007
  428    H    HIS  61           H        HIS  61  -2.119  12.690  -8.887
  429    HA   HIS  61           HA       HIS  61  -3.314  15.356  -8.789
  430   1HB   HIS  61          2HB       HIS  61  -5.100  13.982  -9.093
  431   2HB   HIS  61          1HB       HIS  61  -4.232  12.581  -8.478
  432    HD2  HIS  61           HD2      HIS  61  -5.928  15.775  -6.780
  433    HE1  HIS  61           HE1      HIS  61  -6.394  12.444  -4.229
  434    HE2  HIS  61           HE2      HIS  61  -6.914  14.910  -4.524
  435    H    ASP  62           H        ASP  62  -2.844  12.920  -6.193
  436    HA   ASP  62           HA       ASP  62  -3.211  14.818  -4.091
  437   1HB   ASP  62          2HB       ASP  62  -2.847  12.072  -4.246
  438   2HB   ASP  62          1HB       ASP  62  -1.401  12.635  -3.413
  439    H    PHE  63           H        PHE  63  -0.365  13.770  -5.877
  440    HA   PHE  63           HA       PHE  63   1.517  15.107  -4.148
  441   1HB   PHE  63          2HB       PHE  63   1.709  13.287  -6.212
  442   2HB   PHE  63          1HB       PHE  63   2.377  14.753  -6.927
  443    HD1  PHE  63           HD1      PHE  63   4.381  15.818  -5.999
  444    HD2  PHE  63           HD2      PHE  63   2.739  12.258  -4.245
  445    HE1  PHE  63           HE1      PHE  63   6.456  15.514  -4.674
  446    HE2  PHE  63           HE2      PHE  63   4.813  11.951  -2.923
  447    HZ   PHE  63           HZ       PHE  63   6.672  13.580  -3.136
  448    H    GLN  64           H        GLN  64  -0.161  16.096  -7.175
  449    HA   GLN  64           HA       GLN  64   1.315  18.603  -7.291
  450   1HB   GLN  64          2HB       GLN  64  -0.162  19.252  -9.046
  451   2HB   GLN  64          1HB       GLN  64   0.071  17.519  -9.251
  452   1HG   GLN  64          2HG       GLN  64  -2.055  17.087  -8.088
  453   2HG   GLN  64          1HG       GLN  64  -2.286  18.814  -7.841
  454   1HE2  GLN  64          1HE2      GLN  64  -1.570  16.585 -10.598
  455   2HE2  GLN  64          2HE2      GLN  64  -2.612  17.368 -11.685
  456    H    MET  65           H        MET  65  -1.321  17.405  -5.473
  457    HA   MET  65           HA       MET  65  -2.618  19.899  -4.828
  458   1HB   MET  65          2HB       MET  65  -2.835  17.120  -4.042
  459   2HB   MET  65          1HB       MET  65  -2.829  18.142  -2.606
  460   1HG   MET  65          2HG       MET  65  -5.120  17.933  -3.330
  461   2HG   MET  65          1HG       MET  65  -4.592  19.569  -3.723
  462   1HE   MET  65          1HE       MET  65  -6.955  17.404  -4.915
  463   2HE   MET  65          2HE       MET  65  -7.096  18.138  -6.510
  464   3HE   MET  65          3HE       MET  65  -6.964  19.165  -5.085
  465    H    LEU  66           H        LEU  66   0.022  18.002  -3.428
  466    HA   LEU  66           HA       LEU  66   0.516  19.794  -1.199
  467   1HB   LEU  66          2HB       LEU  66   2.698  18.157  -2.482
  468   2HB   LEU  66          1HB       LEU  66   2.420  18.483  -0.772
  469    HG   LEU  66           HG       LEU  66   0.789  16.655  -2.554
  470   1HD1  LEU  66          1HD1      LEU  66   2.957  15.744  -1.781
  471   2HD1  LEU  66          2HD1      LEU  66   1.599  14.899  -1.039
  472   3HD1  LEU  66          3HD1      LEU  66   2.502  16.099  -0.114
  473   1HD2  LEU  66          1HD2      LEU  66  -0.779  17.643  -1.053
  474   2HD2  LEU  66          2HD2      LEU  66   0.371  17.627   0.282
  475   3HD2  LEU  66          3HD2      LEU  66  -0.333  16.116  -0.295
  476    H    PHE  67           H        PHE  67   1.344  19.646  -4.560
  477    HA   PHE  67           HA       PHE  67   2.373  21.161  -5.987
  478   1HB   PHE  67          2HB       PHE  67   0.938  22.718  -4.340
  479   2HB   PHE  67          1HB       PHE  67   2.547  23.261  -3.867
  480    HD1  PHE  67           HD1      PHE  67   3.777  24.749  -5.239
  481    HD2  PHE  67           HD2      PHE  67   0.339  22.723  -6.833
  482    HE1  PHE  67           HE1      PHE  67   3.907  26.138  -7.289
  483    HE2  PHE  67           HE2      PHE  67   0.471  24.114  -8.882
  484    HZ   PHE  67           HZ       PHE  67   2.254  25.820  -9.110
  485    H    ALA  68           H        ALA  68   3.909  19.472  -4.001
  486    HA   ALA  68           HA       ALA  68   6.133  19.160  -3.328
  487   1HB   ALA  68          1HB       ALA  68   6.421  19.474  -5.805
  488   2HB   ALA  68          2HB       ALA  68   7.824  19.981  -4.864
  489   3HB   ALA  68          3HB       ALA  68   6.712  21.187  -5.509
  490    HA   PRO  69           HA       PRO  69   5.852  23.078  -0.839
  491   1HB   PRO  69          2HB       PRO  69   6.318  21.434   1.476
  492   2HB   PRO  69          1HB       PRO  69   4.839  22.300   1.039
  493   1HG   PRO  69          2HG       PRO  69   5.302  19.455   0.948
  494   2HG   PRO  69          1HG       PRO  69   3.826  20.328   0.515
  495   1HD   PRO  69          2HD       PRO  69   5.706  19.049  -1.259
  496   2HD   PRO  69          1HD       PRO  69   4.222  19.923  -1.688
  497    H    CYS  70           H        CYS  70   7.870  23.898  -1.438
  498    HA   CYS  70           HA       CYS  70  10.164  24.335  -1.269
  499   1HB   CYS  70          2HB       CYS  70   9.426  23.924   1.256
  500   2HB   CYS  70          1HB       CYS  70  10.425  22.482   1.071
  501    HG   CYS  70           HG       CYS  70  12.170  24.542   0.056
  Start of MODEL    8
    1    H    MET   1           1H       MET   1 -11.128 -11.898  -1.790
    2    HA   MET   1           HA       MET   1 -10.432 -13.607  -3.787
    3   1HB   MET   1          2HB       MET   1  -8.779 -11.064  -3.922
    4   2HB   MET   1          1HB       MET   1  -8.312 -12.598  -4.656
    5   1HG   MET   1          2HG       MET   1 -10.527 -12.544  -5.906
    6   2HG   MET   1          1HG       MET   1 -10.712 -10.884  -5.339
    7   1HE   MET   1          1HE       MET   1  -9.690  -8.973  -6.076
    8   2HE   MET   1          2HE       MET   1  -8.297  -8.777  -7.136
    9   3HE   MET   1          3HE       MET   1  -8.067  -9.367  -5.492
   10    H    ALA   2           H        ALA   2  -8.336 -14.668  -3.200
   11    HA   ALA   2           HA       ALA   2  -7.058 -13.831  -0.691
   12   1HB   ALA   2          1HB       ALA   2  -8.990 -15.007   0.210
   13   2HB   ALA   2          2HB       ALA   2  -7.562 -16.019   0.434
   14   3HB   ALA   2          3HB       ALA   2  -8.702 -16.376  -0.863
   15    H    ASN   3           H        ASN   3  -7.500 -16.766  -2.702
   16    HA   ASN   3           HA       ASN   3  -4.609 -17.318  -2.545
   17   1HB   ASN   3          2HB       ASN   3  -5.185 -19.357  -3.827
   18   2HB   ASN   3          1HB       ASN   3  -6.214 -19.185  -2.407
   19   1HD2  ASN   3          1HD2      ASN   3  -6.303 -19.736  -5.752
   20   2HD2  ASN   3          2HD2      ASN   3  -7.934 -19.351  -6.023
   21    H    ALA   4           H        ALA   4  -4.963 -18.506  -5.403
   22    HA   ALA   4           HA       ALA   4  -4.424 -17.847  -7.585
   23   1HB   ALA   4          1HB       ALA   4  -5.613 -16.056  -8.478
   24   2HB   ALA   4          2HB       ALA   4  -5.423 -15.071  -7.028
   25   3HB   ALA   4          3HB       ALA   4  -6.575 -16.406  -7.042
   26    H    LEU   5           H        LEU   5  -2.746 -17.082  -5.058
   27    HA   LEU   5           HA       LEU   5  -1.215 -14.763  -5.963
   28   1HB   LEU   5          2HB       LEU   5  -0.671 -16.819  -3.796
   29   2HB   LEU   5          1HB       LEU   5   0.297 -15.369  -4.065
   30    HG   LEU   5           HG       LEU   5  -2.687 -15.200  -3.633
   31   1HD1  LEU   5          1HD1      LEU   5  -2.196 -14.747  -1.244
   32   2HD1  LEU   5          2HD1      LEU   5  -0.506 -15.162  -1.525
   33   3HD1  LEU   5          3HD1      LEU   5  -1.756 -16.393  -1.698
   34   1HD2  LEU   5          1HD2      LEU   5  -0.341 -13.298  -3.369
   35   2HD2  LEU   5          2HD2      LEU   5  -1.956 -12.920  -2.770
   36   3HD2  LEU   5          3HD2      LEU   5  -1.695 -13.183  -4.494
   37    H    ALA   6           H        ALA   6  -0.660 -15.552  -8.121
   38    HA   ALA   6           HA       ALA   6   0.968 -17.944  -8.435
   39   1HB   ALA   6          1HB       ALA   6   0.467 -15.616 -10.317
   40   2HB   ALA   6          2HB       ALA   6  -0.434 -17.131 -10.279
   41   3HB   ALA   6          3HB       ALA   6   1.261 -17.126 -10.764
   42    H    SER   7           H        SER   7   2.540 -17.273  -6.706
   43    HA   SER   7           HA       SER   7   4.736 -16.669  -6.178
   44   1HB   SER   7          2HB       SER   7   6.253 -16.561  -7.885
   45   2HB   SER   7          1HB       SER   7   4.884 -17.099  -8.851
   46    HG   SER   7           HG       SER   7   4.457 -14.912  -9.324
   47    H    ALA   8           H        ALA   8   3.007 -14.265  -8.126
   48    HA   ALA   8           HA       ALA   8   3.235 -12.287  -6.000
   49   1HB   ALA   8          1HB       ALA   8   4.626 -11.669  -8.622
   50   2HB   ALA   8          2HB       ALA   8   5.484 -12.184  -7.170
   51   3HB   ALA   8          3HB       ALA   8   4.584 -10.667  -7.171
   52    H    THR   9           H        THR   9   1.562 -10.824  -6.194
   53    HA   THR   9           HA       THR   9   0.132 -10.722  -8.821
   54    HB   THR   9           HB       THR   9  -1.999 -10.550  -7.481
   55    HG1  THR   9           HG1      THR   9  -0.622 -10.053  -5.526
   56   1HG2  THR   9          1HG2      THR   9  -0.321 -13.053  -7.189
   57   2HG2  THR   9          2HG2      THR   9  -1.438 -12.671  -8.499
   58   3HG2  THR   9          3HG2      THR   9  -2.055 -12.985  -6.877
   59    H    CYS  10           H        CYS  10  -1.149  -8.728  -9.100
   60    HA   CYS  10           HA       CYS  10   0.331  -6.379  -8.456
   61   1HB   CYS  10          2HB       CYS  10  -1.278  -6.692 -10.380
   62   2HB   CYS  10          1HB       CYS  10  -2.576  -6.458  -9.222
   63    H    GLU  11           H        GLU  11  -0.477  -4.496  -7.238
   64    HA   GLU  11           HA       GLU  11  -1.276  -5.307  -4.550
   65   1HB   GLU  11          2HB       GLU  11   0.347  -3.623  -4.544
   66   2HB   GLU  11          1HB       GLU  11  -0.413  -2.748  -5.871
   67   1HG   GLU  11          2HG       GLU  11  -2.260  -2.071  -4.405
   68   2HG   GLU  11          1HG       GLU  11  -1.577  -3.011  -3.078
   69    H    ARG  12           H        ARG  12  -2.638  -2.975  -6.915
   70    HA   ARG  12           HA       ARG  12  -5.134  -2.838  -5.374
   71   1HB   ARG  12          2HB       ARG  12  -5.747  -1.070  -6.847
   72   2HB   ARG  12          1HB       ARG  12  -4.014  -0.889  -6.580
   73   1HG   ARG  12          2HG       ARG  12  -3.748  -0.935  -8.813
   74   2HG   ARG  12          1HG       ARG  12  -4.214  -2.630  -8.772
   75   1HD   ARG  12          2HD       ARG  12  -6.628  -1.872  -8.891
   76   2HD   ARG  12          1HD       ARG  12  -6.030  -0.239  -9.181
   77    HE   ARG  12           HE       ARG  12  -4.729  -1.793 -11.084
   78   1HH1  ARG  12          1HH2      ARG  12  -7.994  -1.220 -10.120
   79   2HH1  ARG  12          2HH2      ARG  12  -8.643  -1.488 -11.703
   80   1HH2  ARG  12          2HH1      ARG  12  -5.561  -2.141 -13.145
   81   2HH2  ARG  12          1HH1      ARG  12  -7.267  -2.009 -13.413
   82    H    CYS  13           H        CYS  13  -3.977  -4.618  -8.139
   83    HA   CYS  13           HA       CYS  13  -6.797  -5.441  -8.712
   84   1HB   CYS  13          2HB       CYS  13  -6.337  -5.442 -10.942
   85   2HB   CYS  13          1HB       CYS  13  -5.048  -4.340 -10.471
   86    H    LYS  14           H        LYS  14  -3.725  -6.544  -7.591
   87    HA   LYS  14           HA       LYS  14  -2.955  -8.682  -7.013
   88   1HB   LYS  14          2HB       LYS  14  -5.953  -9.060  -6.820
   89   2HB   LYS  14          1HB       LYS  14  -4.797 -10.296  -6.328
   90   1HG   LYS  14          2HG       LYS  14  -4.606  -7.476  -5.271
   91   2HG   LYS  14          1HG       LYS  14  -5.656  -8.669  -4.506
   92   1HD   LYS  14          2HD       LYS  14  -3.770 -10.158  -4.122
   93   2HD   LYS  14          1HD       LYS  14  -2.694  -9.084  -5.014
   94   1HE   LYS  14          2HE       LYS  14  -4.226  -8.112  -2.602
   95   2HE   LYS  14          1HE       LYS  14  -2.664  -8.915  -2.436
   96   1HZ   LYS  14          1HZ       LYS  14  -1.975  -6.778  -2.662
   97   2HZ   LYS  14          2HZ       LYS  14  -3.307  -6.313  -3.608
   98   3HZ   LYS  14          3HZ       LYS  14  -2.033  -7.196  -4.305
   99    H    GLY  15           H        GLY  15  -3.025  -8.150  -9.782
  100   1HA   GLY  15          2HA       GLY  15  -4.119 -10.589 -11.056
  101   2HA   GLY  15          1HA       GLY  15  -3.367  -9.232 -11.897
  102    H    GLY  16           H        GLY  16  -2.877 -12.393 -11.133
  103   1HA   GLY  16          2HA       GLY  16  -0.208 -12.556 -10.210
  104   2HA   GLY  16          1HA       GLY  16  -0.979 -13.772 -11.231
  105    H    PHE  17           H        PHE  17   1.417 -11.390 -11.114
  106    HA   PHE  17           HA       PHE  17   1.681 -11.467 -14.094
  107   1HB   PHE  17          2HB       PHE  17   3.007  -9.263 -13.706
  108   2HB   PHE  17          1HB       PHE  17   1.251  -9.211 -13.675
  109    HD1  PHE  17           HD1      PHE  17   1.316  -7.119 -12.369
  110    HD2  PHE  17           HD2      PHE  17   3.035 -10.744 -10.831
  111    HE1  PHE  17           HE1      PHE  17   1.410  -6.121 -10.115
  112    HE2  PHE  17           HE2      PHE  17   3.121  -9.738  -8.577
  113    HZ   PHE  17           HZ       PHE  17   2.307  -7.433  -8.218
  114    H    ALA  18           H        ALA  18   4.199 -10.579 -14.466
  115    HA   ALA  18           HA       ALA  18   6.179 -11.604 -12.671
  116   1HB   ALA  18          1HB       ALA  18   4.891 -13.569 -14.382
  117   2HB   ALA  18          2HB       ALA  18   6.065 -13.814 -13.090
  118   3HB   ALA  18          3HB       ALA  18   6.618 -13.465 -14.727
  119    HA   PRO  19           HA       PRO  19   8.169 -10.766 -17.042
  120   1HB   PRO  19          2HB       PRO  19   6.102  -9.570 -18.669
  121   2HB   PRO  19          1HB       PRO  19   7.046 -11.031 -18.993
  122   1HG   PRO  19          2HG       PRO  19   4.282 -10.878 -18.233
  123   2HG   PRO  19          1HG       PRO  19   5.246 -12.336 -18.499
  124   1HD   PRO  19          2HD       PRO  19   4.292 -11.281 -15.993
  125   2HD   PRO  19          1HD       PRO  19   5.248 -12.748 -16.264
  126    H    ALA  20           H        ALA  20   8.872  -8.619 -17.862
  127    HA   ALA  20           HA       ALA  20   8.578  -6.542 -15.907
  128   1HB   ALA  20          1HB       ALA  20   9.881  -5.166 -17.477
  129   2HB   ALA  20          2HB       ALA  20   9.611  -6.353 -18.753
  130   3HB   ALA  20          3HB       ALA  20  10.579  -6.780 -17.341
  131    H    GLU  21           H        GLU  21   6.691  -7.378 -18.684
  132    HA   GLU  21           HA       GLU  21   5.527  -4.709 -19.024
  133   1HB   GLU  21          2HB       GLU  21   4.424  -7.325 -20.077
  134   2HB   GLU  21          1HB       GLU  21   4.166  -5.705 -20.722
  135   1HG   GLU  21          2HG       GLU  21   5.818  -6.368 -22.169
  136   2HG   GLU  21          1HG       GLU  21   6.852  -5.784 -20.867
  137    H    LYS  22           H        LYS  22   4.560  -7.824 -17.615
  138    HA   LYS  22           HA       LYS  22   2.024  -6.690 -16.663
  139   1HB   LYS  22          2HB       LYS  22   3.283  -9.384 -16.060
  140   2HB   LYS  22          1HB       LYS  22   1.609  -8.920 -15.757
  141   1HG   LYS  22          2HG       LYS  22   1.344  -8.507 -18.223
  142   2HG   LYS  22          1HG       LYS  22   2.961  -9.170 -18.458
  143   1HD   LYS  22          2HD       LYS  22   2.224 -11.289 -17.378
  144   2HD   LYS  22          1HD       LYS  22   0.596 -10.626 -17.238
  145   1HE   LYS  22          2HE       LYS  22   0.578 -11.941 -19.230
  146   2HE   LYS  22          1HE       LYS  22   0.676 -10.265 -19.771
  147   1HZ   LYS  22          1HZ       LYS  22   2.949 -12.157 -19.498
  148   2HZ   LYS  22          2HZ       LYS  22   3.090 -10.523 -19.941
  149   3HZ   LYS  22          3HZ       LYS  22   2.267 -11.612 -20.951
  150    H    ILE  23           H        ILE  23   5.094  -7.846 -15.279
  151    HA   ILE  23           HA       ILE  23   4.290  -6.920 -12.608
  152    HB   ILE  23           HB       ILE  23   6.112  -8.844 -13.594
  153   1HG1  ILE  23          2HG1      ILE  23   4.777  -9.142 -11.602
  154   2HG1  ILE  23          1HG1      ILE  23   6.472  -9.278 -11.149
  155   1HG2  ILE  23          1HG2      ILE  23   8.197  -8.213 -12.367
  156   2HG2  ILE  23          2HG2      ILE  23   7.528  -6.602 -12.122
  157   3HG2  ILE  23          3HG2      ILE  23   7.874  -7.176 -13.754
  158   1HD1  ILE  23          1HD1      ILE  23   4.526  -7.074 -10.558
  159   2HD1  ILE  23          2HD1      ILE  23   6.236  -6.675 -10.709
  160   3HD1  ILE  23          3HD1      ILE  23   5.706  -7.837  -9.494
  161    H    VAL  24           H        VAL  24   4.710  -4.915 -11.865
  162    HA   VAL  24           HA       VAL  24   6.933  -3.342 -13.082
  163    HB   VAL  24           HB       VAL  24   4.266  -2.071 -12.451
  164   1HG1  VAL  24          1HG1      VAL  24   5.098  -0.343 -13.989
  165   2HG1  VAL  24          2HG1      VAL  24   6.550  -1.299 -14.290
  166   3HG1  VAL  24          3HG1      VAL  24   6.253  -0.627 -12.687
  167   1HG2  VAL  24          1HG2      VAL  24   3.829  -2.182 -14.944
  168   2HG2  VAL  24          2HG2      VAL  24   3.721  -3.737 -14.121
  169   3HG2  VAL  24          3HG2      VAL  24   5.157  -3.336 -15.063
  170    H    ASN  25           H        ASN  25   7.867  -4.083 -10.948
  171    HA   ASN  25           HA       ASN  25   6.632  -3.062  -8.513
  172   1HB   ASN  25          2HB       ASN  25   7.902  -5.015  -8.200
  173   2HB   ASN  25          1HB       ASN  25   9.264  -4.398  -9.134
  174   1HD2  ASN  25          1HD2      ASN  25  10.817  -3.091  -8.031
  175   2HD2  ASN  25          2HD2      ASN  25  10.728  -2.742  -6.373
  176    H    SER  26           H        SER  26   7.240  -1.268  -7.337
  177    HA   SER  26           HA       SER  26   9.519   0.378  -8.135
  178   1HB   SER  26          2HB       SER  26   8.389   2.171  -9.097
  179   2HB   SER  26          1HB       SER  26   7.416   0.826  -9.691
  180    HG   SER  26           HG       SER  26   6.912   2.450  -7.412
  181    H    ASN  27           H        ASN  27  10.159   1.651  -6.426
  182    HA   ASN  27           HA       ASN  27  10.198   2.576  -4.286
  183   1HB   ASN  27          2HB       ASN  27   7.384   2.730  -5.065
  184   2HB   ASN  27          1HB       ASN  27   7.598   2.586  -3.321
  185   1HD2  ASN  27          1HD2      ASN  27   7.553   4.834  -5.848
  186   2HD2  ASN  27          2HD2      ASN  27   8.378   6.099  -5.073
  187    H    GLY  28           H        GLY  28   7.949  -0.169  -4.564
  188   1HA   GLY  28          2HA       GLY  28   9.315  -2.015  -3.049
  189   2HA   GLY  28          1HA       GLY  28   8.495  -1.044  -1.828
  190    H    GLU  29           H        GLU  29   6.315  -0.690  -4.082
  191    HA   GLU  29           HA       GLU  29   4.831  -3.149  -3.278
  192   1HB   GLU  29          2HB       GLU  29   4.114  -0.360  -3.796
  193   2HB   GLU  29          1HB       GLU  29   3.052  -1.491  -4.632
  194   1HG   GLU  29          2HG       GLU  29   2.115  -2.221  -2.694
  195   2HG   GLU  29          1HG       GLU  29   3.658  -2.230  -1.839
  196    H    LEU  30           H        LEU  30   3.230  -3.913  -5.080
  197    HA   LEU  30           HA       LEU  30   4.742  -4.048  -7.670
  198   1HB   LEU  30          2HB       LEU  30   2.739  -6.069  -6.616
  199   2HB   LEU  30          1HB       LEU  30   3.798  -6.243  -8.011
  200    HG   LEU  30           HG       LEU  30   4.795  -7.509  -6.256
  201   1HD1  LEU  30          1HD1      LEU  30   6.182  -5.659  -7.560
  202   2HD1  LEU  30          2HD1      LEU  30   6.927  -6.623  -6.286
  203   3HD1  LEU  30          3HD1      LEU  30   6.370  -4.986  -5.941
  204   1HD2  LEU  30          1HD2      LEU  30   4.697  -6.990  -4.044
  205   2HD2  LEU  30          2HD2      LEU  30   3.466  -5.828  -4.538
  206   3HD2  LEU  30          3HD2      LEU  30   5.137  -5.306  -4.320
  207    H    TYR  31           H        TYR  31   3.691  -3.282  -9.434
  208    HA   TYR  31           HA       TYR  31   0.718  -3.126  -9.395
  209   1HB   TYR  31          2HB       TYR  31   2.044  -0.805 -10.645
  210   2HB   TYR  31          1HB       TYR  31   0.585  -0.856  -9.674
  211    HD1  TYR  31           HD1      TYR  31   4.257  -1.493  -9.177
  212    HD2  TYR  31           HD2      TYR  31   0.685   0.330  -7.665
  213    HE1  TYR  31           HE1      TYR  31   5.551  -0.556  -7.299
  214    HE2  TYR  31           HE2      TYR  31   1.979   1.267  -5.762
  215    HH   TYR  31           HH       TYR  31   3.963   1.382  -4.768
  216    H    HIS  32           H        HIS  32  -0.103  -2.685 -11.631
  217    HA   HIS  32           HA       HIS  32   1.531  -4.127 -13.644
  218   1HB   HIS  32          2HB       HIS  32  -1.372  -3.414 -13.353
  219   2HB   HIS  32          1HB       HIS  32  -0.731  -3.647 -14.975
  220    HD2  HIS  32           HD2      HIS  32   0.542  -6.329 -15.279
  221    HE1  HIS  32           HE1      HIS  32  -1.863  -7.986 -12.236
  222    HE2  HIS  32           HE2      HIS  32  -0.311  -8.532 -14.169
  223    H    GLU  33           H        GLU  33   1.057  -3.022 -15.984
  224    HA   GLU  33           HA       GLU  33   2.222  -0.361 -15.768
  225   1HB   GLU  33          2HB       GLU  33   1.777  -0.410 -18.344
  226   2HB   GLU  33          1HB       GLU  33   2.979  -1.515 -17.681
  227   1HG   GLU  33          2HG       GLU  33   1.709  -3.368 -18.107
  228   2HG   GLU  33          1HG       GLU  33   0.195  -2.543 -17.727
  229    H    GLN  34           H        GLN  34  -0.832  -1.498 -15.338
  230    HA   GLN  34           HA       GLN  34  -2.000   1.178 -15.789
  231   1HB   GLN  34          2HB       GLN  34  -3.121  -1.371 -16.996
  232   2HB   GLN  34          1HB       GLN  34  -4.005   0.152 -16.905
  233   1HG   GLN  34          2HG       GLN  34  -2.150   1.245 -18.191
  234   2HG   GLN  34          1HG       GLN  34  -1.405  -0.342 -18.383
  235   1HE2  GLN  34          1HE2      GLN  34  -1.881  -1.188 -20.407
  236   2HE2  GLN  34          2HE2      GLN  34  -3.365  -1.014 -21.216
  237    H    CYS  35           H        CYS  35  -1.377   0.226 -13.341
  238    HA   CYS  35           HA       CYS  35  -4.056  -0.345 -12.172
  239   1HB   CYS  35          2HB       CYS  35  -1.516  -1.888 -11.693
  240   2HB   CYS  35          1HB       CYS  35  -2.782  -1.835 -10.476
  241    H    PHE  36           H        PHE  36  -0.942   1.140 -12.028
  242    HA   PHE  36           HA       PHE  36  -0.496   1.870  -9.426
  243   1HB   PHE  36          2HB       PHE  36  -0.307   3.478 -11.959
  244   2HB   PHE  36          1HB       PHE  36   0.103   4.205 -10.412
  245    HD1  PHE  36           HD1      PHE  36   0.810   1.215 -12.541
  246    HD2  PHE  36           HD2      PHE  36   2.214   3.841  -9.468
  247    HE1  PHE  36           HE1      PHE  36   3.027   0.106 -12.609
  248    HE2  PHE  36           HE2      PHE  36   4.433   2.738  -9.522
  249    HZ   PHE  36           HZ       PHE  36   4.841   0.867 -11.099
  250    H    VAL  37           H        VAL  37  -1.947   2.494  -7.889
  251    HA   VAL  37           HA       VAL  37  -4.028   4.504  -8.660
  252    HB   VAL  37           HB       VAL  37  -5.096   3.367  -6.436
  253   1HG1  VAL  37          1HG1      VAL  37  -6.615   2.214  -7.963
  254   2HG1  VAL  37          2HG1      VAL  37  -5.427   2.312  -9.263
  255   3HG1  VAL  37          3HG1      VAL  37  -6.182   3.780  -8.646
  256   1HG2  VAL  37          1HG2      VAL  37  -3.054   1.651  -6.828
  257   2HG2  VAL  37          2HG2      VAL  37  -4.236   0.922  -7.910
  258   3HG2  VAL  37          3HG2      VAL  37  -4.617   1.130  -6.202
  259    H    CYS  38           H        CYS  38  -4.793   5.802  -6.770
  260    HA   CYS  38           HA       CYS  38  -2.456   6.727  -5.201
  261   1HB   CYS  38          2HB       CYS  38  -3.917   8.321  -6.480
  262   2HB   CYS  38          1HB       CYS  38  -5.244   7.902  -5.401
  263    H    ALA  39           H        ALA  39  -2.206   6.039  -3.122
  264    HA   ALA  39           HA       ALA  39  -4.033   4.331  -1.771
  265   1HB   ALA  39          1HB       ALA  39  -1.574   5.817  -1.059
  266   2HB   ALA  39          2HB       ALA  39  -2.024   4.150  -0.704
  267   3HB   ALA  39          3HB       ALA  39  -2.643   5.462   0.297
  268    H    GLN  40           H        GLN  40  -4.294   7.644  -2.375
  269    HA   GLN  40           HA       GLN  40  -6.002   8.113   0.022
  270   1HB   GLN  40          2HB       GLN  40  -5.114  10.152  -2.032
  271   2HB   GLN  40          1HB       GLN  40  -5.754  10.457  -0.417
  272   1HG   GLN  40          2HG       GLN  40  -3.466   8.709  -0.222
  273   2HG   GLN  40          1HG       GLN  40  -3.035  10.131  -1.166
  274   1HE2  GLN  40          1HE2      GLN  40  -2.019  11.539   0.275
  275   2HE2  GLN  40          2HE2      GLN  40  -2.628  11.964   1.802
  276    H    CYS  41           H        CYS  41  -6.137   9.139  -3.417
  277    HA   CYS  41           HA       CYS  41  -9.086   9.020  -3.298
  278   1HB   CYS  41          2HB       CYS  41  -9.031  10.101  -5.464
  279   2HB   CYS  41          1HB       CYS  41  -7.866  10.913  -4.419
  280    H    PHE  42           H        PHE  42  -6.566   6.918  -4.092
  281    HA   PHE  42           HA       PHE  42  -6.512   4.827  -5.144
  282   1HB   PHE  42          2HB       PHE  42  -9.534   4.935  -5.046
  283   2HB   PHE  42          1HB       PHE  42  -8.501   3.506  -5.068
  284    HD1  PHE  42           HD1      PHE  42 -10.351   5.660  -2.979
  285    HD2  PHE  42           HD2      PHE  42  -6.673   3.442  -3.118
  286    HE1  PHE  42           HE1      PHE  42 -10.229   5.704  -0.503
  287    HE2  PHE  42           HE2      PHE  42  -6.553   3.486  -0.642
  288    HZ   PHE  42           HZ       PHE  42  -8.331   4.617   0.666
  289    H    GLN  43           H        GLN  43  -6.946   7.422  -6.709
  290    HA   GLN  43           HA       GLN  43  -8.457   6.654  -9.068
  291   1HB   GLN  43          2HB       GLN  43  -7.969   9.038  -8.350
  292   2HB   GLN  43          1HB       GLN  43  -6.302   8.779  -8.865
  293   1HG   GLN  43          2HG       GLN  43  -6.945   8.451 -11.136
  294   2HG   GLN  43          1HG       GLN  43  -8.647   8.272 -10.706
  295   1HE2  GLN  43          1HE2      GLN  43  -9.505  10.084 -11.837
  296   2HE2  GLN  43          2HE2      GLN  43  -9.050  11.687 -11.508
  297    H    GLN  44           H        GLN  44  -7.731   5.417 -10.746
  298    HA   GLN  44           HA       GLN  44  -4.989   4.362 -10.620
  299   1HB   GLN  44          2HB       GLN  44  -6.112   3.308 -12.910
  300   2HB   GLN  44          1HB       GLN  44  -6.157   2.553 -11.321
  301   1HG   GLN  44          2HG       GLN  44  -8.417   2.646 -12.251
  302   2HG   GLN  44          1HG       GLN  44  -8.312   3.725 -10.862
  303   1HE2  GLN  44          1HE2      GLN  44  -7.706   3.917 -14.426
  304   2HE2  GLN  44          2HE2      GLN  44  -8.427   5.442 -14.610
  305    H    PHE  45           H        PHE  45  -3.605   4.365 -12.558
  306    HA   PHE  45           HA       PHE  45  -4.173   6.440 -14.579
  307   1HB   PHE  45          2HB       PHE  45  -2.030   6.621 -12.477
  308   2HB   PHE  45          1HB       PHE  45  -1.762   7.342 -14.064
  309    HD1  PHE  45           HD1      PHE  45  -3.334   7.755 -10.859
  310    HD2  PHE  45           HD2      PHE  45  -3.570   8.922 -14.979
  311    HE1  PHE  45           HE1      PHE  45  -4.729   9.705 -10.226
  312    HE2  PHE  45           HE2      PHE  45  -4.962  10.876 -14.350
  313    HZ   PHE  45           HZ       PHE  45  -5.542  11.266 -11.971
  314    HA   PRO  46           HA       PRO  46  -2.252   2.946 -16.676
  315   1HB   PRO  46          2HB       PRO  46  -2.727   4.268 -19.157
  316   2HB   PRO  46          1HB       PRO  46  -3.640   2.924 -18.461
  317   1HG   PRO  46          2HG       PRO  46  -4.472   5.678 -18.725
  318   2HG   PRO  46          1HG       PRO  46  -5.391   4.324 -18.056
  319   1HD   PRO  46          2HD       PRO  46  -4.177   6.515 -16.627
  320   2HD   PRO  46          1HD       PRO  46  -5.109   5.159 -15.960
  321    H    GLU  47           H        GLU  47  -1.148   6.017 -16.187
  322    HA   GLU  47           HA       GLU  47   0.749   6.497 -18.233
  323   1HB   GLU  47          2HB       GLU  47   0.510   7.261 -15.348
  324   2HB   GLU  47          1HB       GLU  47   2.024   7.601 -16.187
  325   1HG   GLU  47          2HG       GLU  47   0.326   9.481 -16.270
  326   2HG   GLU  47          1HG       GLU  47   0.894   8.934 -17.846
  327    H    GLY  48           H        GLY  48   0.751   4.099 -15.727
  328   1HA   GLY  48          2HA       GLY  48   2.233   2.180 -15.825
  329   2HA   GLY  48          1HA       GLY  48   3.421   3.176 -16.669
  330    H    LEU  49           H        LEU  49   3.018   5.424 -14.778
  331    HA   LEU  49           HA       LEU  49   3.593   4.595 -12.095
  332   1HB   LEU  49          2HB       LEU  49   5.737   3.944 -13.486
  333   2HB   LEU  49          1HB       LEU  49   6.073   5.673 -13.412
  334    HG   LEU  49           HG       LEU  49   5.606   3.837 -11.039
  335   1HD1  LEU  49          1HD1      LEU  49   7.963   4.371 -10.518
  336   2HD1  LEU  49          2HD1      LEU  49   8.071   5.319 -12.002
  337   3HD1  LEU  49          3HD1      LEU  49   7.816   3.576 -12.085
  338   1HD2  LEU  49          1HD2      LEU  49   4.727   5.947 -10.379
  339   2HD2  LEU  49          2HD2      LEU  49   5.967   6.834 -11.266
  340   3HD2  LEU  49          3HD2      LEU  49   6.387   5.971  -9.788
  341    H    PHE  50           H        PHE  50   2.409   6.284 -11.352
  342    HA   PHE  50           HA       PHE  50   2.823   9.000 -12.418
  343   1HB   PHE  50          2HB       PHE  50   1.098   9.533 -10.562
  344   2HB   PHE  50          1HB       PHE  50   0.552   8.565 -11.926
  345    HD1  PHE  50           HD1      PHE  50   2.794   6.980  -9.461
  346    HD2  PHE  50           HD2      PHE  50  -1.305   7.699 -10.533
  347    HE1  PHE  50           HE1      PHE  50   2.075   5.212  -7.898
  348    HE2  PHE  50           HE2      PHE  50  -2.018   5.920  -8.964
  349    HZ   PHE  50           HZ       PHE  50  -0.325   4.676  -7.649
  350    H    TYR  51           H        TYR  51   2.167   9.035  -9.093
  351    HA   TYR  51           HA       TYR  51   5.034   9.555  -8.479
  352   1HB   TYR  51          2HB       TYR  51   4.247  11.659  -8.104
  353   2HB   TYR  51          1HB       TYR  51   2.589  11.115  -7.979
  354    HD1  TYR  51           HD1      TYR  51   5.712  10.385  -5.969
  355    HD2  TYR  51           HD2      TYR  51   1.654  11.774  -6.019
  356    HE1  TYR  51           HE1      TYR  51   5.772  10.616  -3.502
  357    HE2  TYR  51           HE2      TYR  51   1.714  12.020  -3.541
  358    HH   TYR  51           HH       TYR  51   2.892  11.331  -1.656
  359    H    GLU  52           H        GLU  52   5.113   7.238  -8.013
  360    HA   GLU  52           HA       GLU  52   3.489   6.156  -5.856
  361   1HB   GLU  52          2HB       GLU  52   4.157   4.733  -7.703
  362   2HB   GLU  52          1HB       GLU  52   5.855   5.131  -7.449
  363   1HG   GLU  52          2HG       GLU  52   5.358   2.955  -6.505
  364   2HG   GLU  52          1HG       GLU  52   5.750   4.084  -5.220
  365    H    PHE  53           H        PHE  53   4.565   5.230  -3.882
  366    HA   PHE  53           HA       PHE  53   7.156   6.487  -3.169
  367   1HB   PHE  53          2HB       PHE  53   4.829   7.740  -2.425
  368   2HB   PHE  53          1HB       PHE  53   5.134   6.708  -1.030
  369    HD1  PHE  53           HD1      PHE  53   7.231   8.752  -3.397
  370    HD2  PHE  53           HD2      PHE  53   6.313   7.747   0.675
  371    HE1  PHE  53           HE1      PHE  53   8.989  10.314  -2.615
  372    HE2  PHE  53           HE2      PHE  53   8.071   9.309   1.459
  373    HZ   PHE  53           HZ       PHE  53   9.410  10.593  -0.186
  374    H    GLU  54           H        GLU  54   7.985   5.598  -1.075
  375    HA   GLU  54           HA       GLU  54   7.765   2.728  -1.056
  376   1HB   GLU  54          2HB       GLU  54   9.146   3.005   1.106
  377   2HB   GLU  54          1HB       GLU  54   9.863   3.576  -0.400
  378   1HG   GLU  54          2HG       GLU  54   8.200   5.575   1.009
  379   2HG   GLU  54          1HG       GLU  54   9.659   5.086   1.865
  380    H    GLY  55           H        GLY  55   6.087   1.625  -0.204
  381   1HA   GLY  55          2HA       GLY  55   4.525   0.907   1.404
  382   2HA   GLY  55          1HA       GLY  55   5.186   2.109   2.512
  383    H    ARG  56           H        ARG  56   4.568   3.880  -0.144
  384    HA   ARG  56           HA       ARG  56   1.662   4.238   0.400
  385   1HB   ARG  56          2HB       ARG  56   3.628   6.545   0.345
  386   2HB   ARG  56          1HB       ARG  56   1.899   6.631   0.679
  387   1HG   ARG  56          2HG       ARG  56   2.269   5.167   2.682
  388   2HG   ARG  56          1HG       ARG  56   4.005   5.267   2.382
  389   1HD   ARG  56          2HD       ARG  56   2.127   7.549   3.039
  390   2HD   ARG  56          1HD       ARG  56   3.463   6.950   4.020
  391    HE   ARG  56           HE       ARG  56   4.666   7.682   1.630
  392   1HH1  ARG  56          1HH2      ARG  56   2.610   9.190   3.958
  393   2HH1  ARG  56          2HH2      ARG  56   3.235  10.778   3.671
  394   1HH2  ARG  56          2HH1      ARG  56   5.483   9.745   1.247
  395   2HH2  ARG  56          1HH1      ARG  56   4.860  11.093   2.139
  396    H    LYS  57           H        LYS  57   0.539   4.641  -1.459
  397    HA   LYS  57           HA       LYS  57   2.145   5.186  -3.924
  398   1HB   LYS  57          2HB       LYS  57   0.301   4.048  -5.148
  399   2HB   LYS  57          1HB       LYS  57   1.058   2.987  -3.958
  400   1HG   LYS  57          2HG       LYS  57  -0.843   4.029  -2.388
  401   2HG   LYS  57          1HG       LYS  57  -1.657   4.232  -3.935
  402   1HD   LYS  57          2HD       LYS  57  -0.371   1.594  -3.433
  403   2HD   LYS  57          1HD       LYS  57  -1.827   1.960  -2.506
  404   1HE   LYS  57          2HE       LYS  57  -2.791   2.714  -4.832
  405   2HE   LYS  57          1HE       LYS  57  -1.493   1.705  -5.481
  406   1HZ   LYS  57          1HZ       LYS  57  -3.056   0.115  -5.238
  407   2HZ   LYS  57          2HZ       LYS  57  -3.882   0.938  -4.001
  408   3HZ   LYS  57          3HZ       LYS  57  -2.463   0.070  -3.649
  409    H    TYR  58           H        TYR  58   1.565   6.921  -5.192
  410    HA   TYR  58           HA       TYR  58  -1.007   8.318  -4.615
  411   1HB   TYR  58          2HB       TYR  58   1.690   9.650  -4.737
  412   2HB   TYR  58          1HB       TYR  58   0.159  10.484  -4.510
  413    HD1  TYR  58           HD1      TYR  58   2.971   9.076  -2.960
  414    HD2  TYR  58           HD2      TYR  58  -1.248   9.630  -2.390
  415    HE1  TYR  58           HE1      TYR  58   3.284   8.826  -0.529
  416    HE2  TYR  58           HE2      TYR  58  -0.948   9.354   0.060
  417    HH   TYR  58           HH       TYR  58   0.490   8.766   1.681
  418    H    CYS  59           H        CYS  59  -1.549   9.856  -6.293
  419    HA   CYS  59           HA       CYS  59  -0.184   9.288  -8.885
  420   1HB   CYS  59          2HB       CYS  59  -2.359  10.170  -9.886
  421   2HB   CYS  59          1HB       CYS  59  -2.484   8.610  -9.062
  422    H    GLU  60           H        GLU  60  -0.632  11.443 -10.360
  423    HA   GLU  60           HA       GLU  60   0.944  13.477  -9.167
  424   1HB   GLU  60          2HB       GLU  60   0.628  13.256 -11.620
  425   2HB   GLU  60          1HB       GLU  60  -1.054  13.755 -11.444
  426   1HG   GLU  60          2HG       GLU  60   0.561  15.596 -12.141
  427   2HG   GLU  60          1HG       GLU  60  -0.418  15.953 -10.720
  428    H    HIS  61           H        HIS  61  -2.329  12.682  -8.633
  429    HA   HIS  61           HA       HIS  61  -3.368  15.300  -8.026
  430   1HB   HIS  61          2HB       HIS  61  -5.195  13.944  -8.047
  431   2HB   HIS  61          1HB       HIS  61  -4.234  12.511  -7.706
  432    HD2  HIS  61           HD2      HIS  61  -5.329  15.614  -5.432
  433    HE1  HIS  61           HE1      HIS  61  -5.675  12.055  -3.190
  434    HE2  HIS  61           HE2      HIS  61  -5.969  14.574  -3.127
  435    H    ASP  62           H        ASP  62  -2.322  12.707  -5.770
  436    HA   ASP  62           HA       ASP  62  -2.289  14.400  -3.475
  437   1HB   ASP  62          2HB       ASP  62  -1.717  11.694  -4.041
  438   2HB   ASP  62          1HB       ASP  62  -0.258  12.358  -3.312
  439    H    PHE  63           H        PHE  63   0.140  13.693  -5.933
  440    HA   PHE  63           HA       PHE  63   2.320  15.032  -4.615
  441   1HB   PHE  63          2HB       PHE  63   2.014  13.475  -6.883
  442   2HB   PHE  63          1HB       PHE  63   2.379  15.052  -7.543
  443    HD1  PHE  63           HD1      PHE  63   4.629  14.804  -8.286
  444    HD2  PHE  63           HD2      PHE  63   3.545  13.623  -4.306
  445    HE1  PHE  63           HE1      PHE  63   7.020  14.420  -7.741
  446    HE2  PHE  63           HE2      PHE  63   5.915  13.207  -3.764
  447    HZ   PHE  63           HZ       PHE  63   7.666  13.626  -5.480
  448    H    GLN  64           H        GLN  64  -0.065  16.124  -7.074
  449    HA   GLN  64           HA       GLN  64   1.096  18.758  -7.278
  450   1HB   GLN  64          2HB       GLN  64  -0.741  19.333  -8.616
  451   2HB   GLN  64          1HB       GLN  64  -0.622  17.596  -8.870
  452   1HG   GLN  64          2HG       GLN  64  -2.826  17.575  -8.313
  453   2HG   GLN  64          1HG       GLN  64  -2.247  17.718  -6.658
  454   1HE2  GLN  64          1HE2      GLN  64  -3.113  19.808  -9.464
  455   2HE2  GLN  64          2HE2      GLN  64  -3.719  21.079  -8.517
  456    H    MET  65           H        MET  65  -0.927  17.216  -4.964
  457    HA   MET  65           HA       MET  65  -2.123  19.562  -3.788
  458   1HB   MET  65          2HB       MET  65  -1.951  16.715  -3.192
  459   2HB   MET  65          1HB       MET  65  -1.723  17.676  -1.731
  460   1HG   MET  65          2HG       MET  65  -4.105  17.220  -2.046
  461   2HG   MET  65          1HG       MET  65  -3.797  18.942  -2.277
  462   1HE   MET  65          1HE       MET  65  -5.855  19.479  -5.211
  463   2HE   MET  65          2HE       MET  65  -4.676  20.212  -4.127
  464   3HE   MET  65          3HE       MET  65  -6.021  19.290  -3.459
  465    H    LEU  66           H        LEU  66   0.884  17.766  -3.312
  466    HA   LEU  66           HA       LEU  66   1.850  19.420  -1.120
  467   1HB   LEU  66          2HB       LEU  66   3.695  18.006  -3.040
  468   2HB   LEU  66          1HB       LEU  66   3.852  18.201  -1.296
  469    HG   LEU  66           HG       LEU  66   1.884  16.406  -2.739
  470   1HD1  LEU  66          1HD1      LEU  66   4.195  15.767  -0.881
  471   2HD1  LEU  66          2HD1      LEU  66   4.228  15.588  -2.635
  472   3HD1  LEU  66          3HD1      LEU  66   3.139  14.595  -1.668
  473   1HD2  LEU  66          1HD2      LEU  66   0.724  17.157  -0.809
  474   2HD2  LEU  66          2HD2      LEU  66   2.191  17.178   0.169
  475   3HD2  LEU  66          3HD2      LEU  66   1.461  15.641  -0.297
  476    H    PHE  67           H        PHE  67   1.701  19.606  -4.558
  477    HA   PHE  67           HA       PHE  67   2.198  21.318  -6.047
  478   1HB   PHE  67          2HB       PHE  67   1.557  22.644  -3.749
  479   2HB   PHE  67          1HB       PHE  67   3.212  23.200  -3.992
  480    HD1  PHE  67           HD1      PHE  67   3.774  24.705  -5.770
  481    HD2  PHE  67           HD2      PHE  67  -0.139  22.940  -5.581
  482    HE1  PHE  67           HE1      PHE  67   2.992  26.248  -7.546
  483    HE2  PHE  67           HE2      PHE  67  -0.920  24.483  -7.358
  484    HZ   PHE  67           HZ       PHE  67   0.646  26.137  -8.341
  485    H    ALA  68           H        ALA  68   4.308  19.519  -4.532
  486    HA   ALA  68           HA       ALA  68   6.627  19.179  -4.631
  487   1HB   ALA  68          1HB       ALA  68   6.336  20.894  -7.117
  488   2HB   ALA  68          2HB       ALA  68   6.075  19.152  -7.051
  489   3HB   ALA  68          3HB       ALA  68   7.682  19.814  -6.752
  490    HA   PRO  69           HA       PRO  69   7.325  23.332  -2.679
  491   1HB   PRO  69          2HB       PRO  69   8.649  21.909  -0.555
  492   2HB   PRO  69          1HB       PRO  69   7.117  22.787  -0.484
  493   1HG   PRO  69          2HG       PRO  69   7.508  19.930  -0.436
  494   2HG   PRO  69          1HG       PRO  69   5.979  20.817  -0.370
  495   1HD   PRO  69          2HD       PRO  69   7.045  19.289  -2.574
  496   2HD   PRO  69          1HD       PRO  69   5.506  20.170  -2.501
  497    H    CYS  70           H        CYS  70   8.963  24.027  -4.066
  498    HA   CYS  70           HA       CYS  70  11.682  22.872  -3.593
  499   1HB   CYS  70          2HB       CYS  70  10.724  22.152  -5.800
  500   2HB   CYS  70          1HB       CYS  70  10.619  23.850  -6.261
  501    HG   CYS  70           HG       CYS  70  13.375  23.715  -5.598
  Start of MODEL    9
    1    H    MET   1           1H       MET   1  -8.769 -29.182  -6.559
    2    HA   MET   1           HA       MET   1  -8.116 -29.577  -4.254
    3   1HB   MET   1          2HB       MET   1  -5.832 -30.443  -4.862
    4   2HB   MET   1          1HB       MET   1  -5.355 -28.786  -5.234
    5   1HG   MET   1          2HG       MET   1  -5.762 -28.089  -2.948
    6   2HG   MET   1          1HG       MET   1  -6.451 -29.664  -2.546
    7   1HE   MET   1          1HE       MET   1  -2.981 -29.277  -0.667
    8   2HE   MET   1          2HE       MET   1  -4.735 -29.260  -0.502
    9   3HE   MET   1          3HE       MET   1  -3.914 -27.896  -1.260
   10    H    ALA   2           H        ALA   2  -6.388 -27.137  -6.240
   11    HA   ALA   2           HA       ALA   2  -8.188 -25.031  -5.264
   12   1HB   ALA   2          1HB       ALA   2  -6.374 -23.665  -4.289
   13   2HB   ALA   2          2HB       ALA   2  -5.230 -24.976  -4.581
   14   3HB   ALA   2          3HB       ALA   2  -6.544 -25.193  -3.425
   15    H    ASN   3           H        ASN   3  -7.240 -22.815  -6.161
   16    HA   ASN   3           HA       ASN   3  -6.895 -23.193  -9.027
   17   1HB   ASN   3          2HB       ASN   3  -6.796 -20.695  -9.067
   18   2HB   ASN   3          1HB       ASN   3  -8.204 -21.305  -8.197
   19   1HD2  ASN   3          1HD2      ASN   3  -4.992 -19.826  -7.747
   20   2HD2  ASN   3          2HD2      ASN   3  -5.258 -19.338  -6.143
   21    H    ALA   4           H        ALA   4  -5.097 -21.474  -9.959
   22    HA   ALA   4           HA       ALA   4  -2.561 -22.713  -9.445
   23   1HB   ALA   4          1HB       ALA   4  -3.208 -20.080 -10.810
   24   2HB   ALA   4          2HB       ALA   4  -3.062 -21.650 -11.599
   25   3HB   ALA   4          3HB       ALA   4  -1.644 -20.893 -10.874
   26    H    LEU   5           H        LEU   5  -1.087 -22.269  -7.877
   27    HA   LEU   5           HA       LEU   5  -1.644 -20.361  -5.794
   28   1HB   LEU   5          2HB       LEU   5   0.709 -22.105  -6.496
   29   2HB   LEU   5          1HB       LEU   5   0.856 -20.896  -5.222
   30    HG   LEU   5           HG       LEU   5  -1.281 -21.900  -4.224
   31   1HD1  LEU   5          1HD1      LEU   5  -1.499 -24.384  -4.890
   32   2HD1  LEU   5          2HD1      LEU   5  -0.603 -23.943  -6.343
   33   3HD1  LEU   5          3HD1      LEU   5  -2.162 -23.191  -6.007
   34   1HD2  LEU   5          1HD2      LEU   5   1.234 -23.592  -4.400
   35   2HD2  LEU   5          2HD2      LEU   5  -0.021 -23.772  -3.173
   36   3HD2  LEU   5          3HD2      LEU   5   0.936 -22.292  -3.246
   37    H    ALA   6           H        ALA   6  -0.128 -20.075  -8.867
   38    HA   ALA   6           HA       ALA   6   0.925 -18.271  -9.929
   39   1HB   ALA   6          1HB       ALA   6   0.109 -16.464  -7.672
   40   2HB   ALA   6          2HB       ALA   6  -1.136 -17.159  -8.710
   41   3HB   ALA   6          3HB       ALA   6   0.126 -16.144  -9.405
   42    H    SER   7           H        SER   7   2.215 -16.007  -8.732
   43    HA   SER   7           HA       SER   7   4.097 -17.049  -6.728
   44   1HB   SER   7          2HB       SER   7   6.082 -16.621  -8.174
   45   2HB   SER   7          1HB       SER   7   5.077 -17.930  -8.787
   46    HG   SER   7           HG       SER   7   5.663 -16.422 -10.420
   47    H    ALA   8           H        ALA   8   2.750 -14.493  -8.620
   48    HA   ALA   8           HA       ALA   8   3.527 -12.524  -6.604
   49   1HB   ALA   8          1HB       ALA   8   5.521 -12.708  -8.198
   50   2HB   ALA   8          2HB       ALA   8   4.839 -11.093  -8.003
   51   3HB   ALA   8          3HB       ALA   8   4.464 -12.041  -9.443
   52    H    THR   9           H        THR   9   1.910 -11.025  -6.476
   53    HA   THR   9           HA       THR   9   0.116 -10.712  -8.852
   54    HB   THR   9           HB       THR   9  -1.800 -10.577  -7.348
   55    HG1  THR   9           HG1      THR   9  -0.220  -9.782  -5.605
   56   1HG2  THR   9          1HG2      THR   9  -0.975 -12.832  -8.089
   57   2HG2  THR   9          2HG2      THR   9  -1.874 -12.866  -6.572
   58   3HG2  THR   9          3HG2      THR   9  -0.113 -12.963  -6.556
   59    H    CYS  10           H        CYS  10  -1.018  -8.621  -8.902
   60    HA   CYS  10           HA       CYS  10   0.726  -6.411  -8.462
   61   1HB   CYS  10          2HB       CYS  10  -1.060  -6.411 -10.150
   62   2HB   CYS  10          1HB       CYS  10  -2.259  -6.401  -8.870
   63    H    GLU  11           H        GLU  11   0.827  -4.852  -6.896
   64    HA   GLU  11           HA       GLU  11  -0.004  -5.591  -4.230
   65   1HB   GLU  11          2HB       GLU  11   2.079  -4.343  -4.750
   66   2HB   GLU  11          1HB       GLU  11   1.105  -2.973  -5.292
   67   1HG   GLU  11          2HG       GLU  11   1.828  -2.602  -2.986
   68   2HG   GLU  11          1HG       GLU  11   0.088  -2.857  -3.009
   69    H    ARG  12           H        ARG  12  -1.466  -3.732  -6.764
   70    HA   ARG  12           HA       ARG  12  -3.366  -2.509  -4.809
   71   1HB   ARG  12          2HB       ARG  12  -3.609  -1.638  -7.600
   72   2HB   ARG  12          1HB       ARG  12  -3.449  -0.679  -6.133
   73   1HG   ARG  12          2HG       ARG  12  -0.925  -1.829  -6.416
   74   2HG   ARG  12          1HG       ARG  12  -1.398  -1.472  -8.071
   75   1HD   ARG  12          2HD       ARG  12  -0.987   0.704  -7.746
   76   2HD   ARG  12          1HD       ARG  12  -2.141   0.748  -6.420
   77    HE   ARG  12           HE       ARG  12   0.625   0.992  -6.091
   78   1HH1  ARG  12          1HH2      ARG  12  -1.884  -1.072  -4.912
   79   2HH1  ARG  12          2HH2      ARG  12  -0.997  -1.550  -3.506
   80   1HH2  ARG  12          2HH1      ARG  12   1.774   0.379  -4.264
   81   2HH2  ARG  12          1HH1      ARG  12   1.065  -0.731  -3.139
   82    H    CYS  13           H        CYS  13  -3.257  -4.327  -7.868
   83    HA   CYS  13           HA       CYS  13  -6.181  -4.842  -7.577
   84   1HB   CYS  13          2HB       CYS  13  -6.297  -4.992  -9.865
   85   2HB   CYS  13          1HB       CYS  13  -4.865  -3.976  -9.753
   86    H    LYS  14           H        LYS  14  -3.153  -6.323  -7.093
   87    HA   LYS  14           HA       LYS  14  -2.534  -8.527  -6.593
   88   1HB   LYS  14          2HB       LYS  14  -5.513  -8.766  -6.061
   89   2HB   LYS  14          1HB       LYS  14  -4.304  -9.953  -5.579
   90   1HG   LYS  14          2HG       LYS  14  -4.064  -7.058  -4.757
   91   2HG   LYS  14          1HG       LYS  14  -5.024  -8.199  -3.816
   92   1HD   LYS  14          2HD       LYS  14  -2.151  -8.770  -4.573
   93   2HD   LYS  14          1HD       LYS  14  -2.574  -7.899  -3.102
   94   1HE   LYS  14          2HE       LYS  14  -2.709  -9.961  -2.160
   95   2HE   LYS  14          1HE       LYS  14  -4.271 -10.058  -2.971
   96   1HZ   LYS  14          1HZ       LYS  14  -3.469 -11.430  -4.559
   97   2HZ   LYS  14          2HZ       LYS  14  -2.372 -11.846  -3.331
   98   3HZ   LYS  14          3HZ       LYS  14  -1.916 -10.749  -4.546
   99    H    GLY  15           H        GLY  15  -2.883  -7.955  -9.315
  100   1HA   GLY  15          2HA       GLY  15  -4.340 -10.286 -10.437
  101   2HA   GLY  15          1HA       GLY  15  -3.657  -8.953 -11.371
  102    H    GLY  16           H        GLY  16  -3.224 -12.140 -10.790
  103   1HA   GLY  16          2HA       GLY  16  -0.475 -12.479 -10.236
  104   2HA   GLY  16          1HA       GLY  16  -1.434 -13.603 -11.201
  105    H    PHE  17           H        PHE  17   1.000 -11.207 -11.284
  106    HA   PHE  17           HA       PHE  17   0.937 -11.215 -14.275
  107   1HB   PHE  17          2HB       PHE  17   2.364  -9.087 -14.008
  108   2HB   PHE  17          1HB       PHE  17   0.650  -8.961 -13.653
  109    HD1  PHE  17           HD1      PHE  17   1.194  -6.896 -12.336
  110    HD2  PHE  17           HD2      PHE  17   2.703 -10.763 -11.209
  111    HE1  PHE  17           HE1      PHE  17   1.754  -6.033 -10.094
  112    HE2  PHE  17           HE2      PHE  17   3.252  -9.889  -8.969
  113    HZ   PHE  17           HZ       PHE  17   2.775  -7.532  -8.408
  114    H    ALA  18           H        ALA  18   3.475 -10.364 -14.841
  115    HA   ALA  18           HA       ALA  18   5.563 -11.600 -13.337
  116   1HB   ALA  18          1HB       ALA  18   5.294 -13.771 -13.865
  117   2HB   ALA  18          2HB       ALA  18   5.707 -13.347 -15.526
  118   3HB   ALA  18          3HB       ALA  18   4.018 -13.395 -15.023
  119    HA   PRO  19           HA       PRO  19   7.152 -10.592 -17.831
  120   1HB   PRO  19          2HB       PRO  19   5.000  -9.209 -19.174
  121   2HB   PRO  19          1HB       PRO  19   5.829 -10.691 -19.669
  122   1HG   PRO  19          2HG       PRO  19   3.165 -10.448 -18.619
  123   2HG   PRO  19          1HG       PRO  19   4.014 -11.931 -19.067
  124   1HD   PRO  19          2HD       PRO  19   3.377 -10.995 -16.421
  125   2HD   PRO  19          1HD       PRO  19   4.228 -12.483 -16.875
  126    H    ALA  20           H        ALA  20   7.965  -8.474 -18.510
  127    HA   ALA  20           HA       ALA  20   7.898  -6.482 -16.457
  128   1HB   ALA  20          1HB       ALA  20   8.788  -6.256 -19.348
  129   2HB   ALA  20          2HB       ALA  20   9.805  -6.721 -17.984
  130   3HB   ALA  20          3HB       ALA  20   9.152  -5.085 -18.079
  131    H    GLU  21           H        GLU  21   5.820  -7.071 -19.158
  132    HA   GLU  21           HA       GLU  21   4.787  -4.341 -19.331
  133   1HB   GLU  21          2HB       GLU  21   3.413  -6.841 -20.342
  134   2HB   GLU  21          1HB       GLU  21   3.272  -5.195 -20.960
  135   1HG   GLU  21          2HG       GLU  21   4.759  -6.009 -22.514
  136   2HG   GLU  21          1HG       GLU  21   5.920  -5.518 -21.281
  137    H    LYS  22           H        LYS  22   3.887  -7.369 -17.756
  138    HA   LYS  22           HA       LYS  22   1.455  -6.120 -16.628
  139   1HB   LYS  22          2HB       LYS  22   2.562  -8.923 -16.274
  140   2HB   LYS  22          1HB       LYS  22   0.979  -8.361 -15.739
  141   1HG   LYS  22          2HG       LYS  22   0.443  -7.795 -18.128
  142   2HG   LYS  22          1HG       LYS  22   1.964  -8.552 -18.600
  143   1HD   LYS  22          2HD       LYS  22   1.207 -10.671 -17.522
  144   2HD   LYS  22          1HD       LYS  22  -0.341  -9.906 -17.165
  145   1HE   LYS  22          2HE       LYS  22  -0.696 -11.103 -19.193
  146   2HE   LYS  22          1HE       LYS  22  -0.506  -9.419 -19.680
  147   1HZ   LYS  22          1HZ       LYS  22   1.762  -9.825 -20.260
  148   2HZ   LYS  22          2HZ       LYS  22   0.802 -10.996 -21.032
  149   3HZ   LYS  22          3HZ       LYS  22   1.699 -11.407 -19.649
  150    H    ILE  23           H        ILE  23   4.536  -7.540 -15.542
  151    HA   ILE  23           HA       ILE  23   4.008  -6.724 -12.771
  152    HB   ILE  23           HB       ILE  23   5.534  -8.728 -13.927
  153   1HG1  ILE  23          2HG1      ILE  23   4.590  -8.842 -11.706
  154   2HG1  ILE  23          1HG1      ILE  23   6.323  -9.115 -11.575
  155   1HG2  ILE  23          1HG2      ILE  23   7.337  -7.148 -14.484
  156   2HG2  ILE  23          2HG2      ILE  23   7.861  -8.278 -13.238
  157   3HG2  ILE  23          3HG2      ILE  23   7.414  -6.629 -12.799
  158   1HD1  ILE  23          1HD1      ILE  23   5.941  -7.568  -9.859
  159   2HD1  ILE  23          2HD1      ILE  23   4.729  -6.688 -10.788
  160   3HD1  ILE  23          3HD1      ILE  23   6.439  -6.524 -11.189
  161    H    VAL  24           H        VAL  24   4.655  -4.834 -11.894
  162    HA   VAL  24           HA       VAL  24   6.872  -3.293 -13.126
  163    HB   VAL  24           HB       VAL  24   4.281  -1.893 -12.457
  164   1HG1  VAL  24          1HG1      VAL  24   6.379  -0.582 -12.676
  165   2HG1  VAL  24          2HG1      VAL  24   5.211  -0.168 -13.930
  166   3HG1  VAL  24          3HG1      VAL  24   6.583  -1.209 -14.312
  167   1HG2  VAL  24          1HG2      VAL  24   3.774  -1.928 -14.912
  168   2HG2  VAL  24          2HG2      VAL  24   3.682  -3.527 -14.175
  169   3HG2  VAL  24          3HG2      VAL  24   5.093  -3.077 -15.135
  170    H    ASN  25           H        ASN  25   8.108  -3.511 -11.241
  171    HA   ASN  25           HA       ASN  25   6.889  -3.045  -8.622
  172   1HB   ASN  25          2HB       ASN  25   8.564  -4.597  -8.363
  173   2HB   ASN  25          1HB       ASN  25   9.571  -3.887  -9.624
  174   1HD2  ASN  25          1HD2      ASN  25   8.371  -3.181  -6.296
  175   2HD2  ASN  25          2HD2      ASN  25   9.759  -2.329  -5.819
  176    H    SER  26           H        SER  26   7.443  -1.314  -7.219
  177    HA   SER  26           HA       SER  26   9.073   0.905  -8.182
  178   1HB   SER  26          2HB       SER  26   7.439   2.414  -8.759
  179   2HB   SER  26          1HB       SER  26   6.562   0.941  -9.165
  180    HG   SER  26           HG       SER  26   5.172   1.749  -7.792
  181    H    ASN  27           H        ASN  27  10.027   1.710  -6.396
  182    HA   ASN  27           HA       ASN  27  10.416   2.300  -4.167
  183   1HB   ASN  27          2HB       ASN  27   7.657   2.850  -4.611
  184   2HB   ASN  27          1HB       ASN  27   7.796   2.092  -3.025
  185   1HD2  ASN  27          1HD2      ASN  27   8.662   4.947  -4.908
  186   2HD2  ASN  27          2HD2      ASN  27   9.317   5.826  -3.614
  187    H    GLY  28           H        GLY  28   9.367  -0.653  -5.174
  188   1HA   GLY  28          2HA       GLY  28  10.363  -2.561  -3.867
  189   2HA   GLY  28          1HA       GLY  28   9.656  -1.825  -2.431
  190    H    GLU  29           H        GLU  29   7.152  -1.129  -3.918
  191    HA   GLU  29           HA       GLU  29   5.792  -3.697  -3.495
  192   1HB   GLU  29          2HB       GLU  29   4.979  -0.870  -3.986
  193   2HB   GLU  29          1HB       GLU  29   3.818  -2.131  -4.392
  194   1HG   GLU  29          2HG       GLU  29   3.629  -2.852  -2.185
  195   2HG   GLU  29          1HG       GLU  29   5.209  -2.209  -1.731
  196    H    LEU  30           H        LEU  30   4.034  -4.262  -5.230
  197    HA   LEU  30           HA       LEU  30   5.333  -4.186  -7.931
  198   1HB   LEU  30          2HB       LEU  30   3.364  -6.239  -6.872
  199   2HB   LEU  30          1HB       LEU  30   4.239  -6.301  -8.399
  200    HG   LEU  30           HG       LEU  30   5.400  -7.759  -6.920
  201   1HD1  LEU  30          1HD1      LEU  30   6.708  -5.875  -8.209
  202   2HD1  LEU  30          2HD1      LEU  30   7.559  -6.899  -7.054
  203   3HD1  LEU  30          3HD1      LEU  30   7.053  -5.276  -6.587
  204   1HD2  LEU  30          1HD2      LEU  30   5.605  -7.467  -4.672
  205   2HD2  LEU  30          2HD2      LEU  30   4.337  -6.261  -4.891
  206   3HD2  LEU  30          3HD2      LEU  30   6.028  -5.763  -4.831
  207    H    TYR  31           H        TYR  31   4.150  -3.328  -9.577
  208    HA   TYR  31           HA       TYR  31   1.229  -2.840  -9.141
  209   1HB   TYR  31          2HB       TYR  31   3.027  -0.830 -10.487
  210   2HB   TYR  31          1HB       TYR  31   1.394  -0.582  -9.892
  211    HD1  TYR  31           HD1      TYR  31   4.733  -1.691  -8.505
  212    HD2  TYR  31           HD2      TYR  31   1.217   0.721  -7.994
  213    HE1  TYR  31           HE1      TYR  31   5.673  -0.770  -6.416
  214    HE2  TYR  31           HE2      TYR  31   2.158   1.640  -5.891
  215    HH   TYR  31           HH       TYR  31   5.453   1.060  -4.951
  216    H    HIS  32           H        HIS  32   0.111  -2.406 -11.183
  217    HA   HIS  32           HA       HIS  32   1.263  -3.963 -13.443
  218   1HB   HIS  32          2HB       HIS  32  -1.476  -3.114 -12.614
  219   2HB   HIS  32          1HB       HIS  32  -1.174  -3.226 -14.343
  220    HD2  HIS  32           HD2      HIS  32   0.008  -5.944 -15.010
  221    HE1  HIS  32           HE1      HIS  32  -2.158  -7.715 -11.852
  222    HE2  HIS  32           HE2      HIS  32  -0.852  -8.183 -13.978
  223    H    GLU  33           H        GLU  33   0.697  -2.855 -15.686
  224    HA   GLU  33           HA       GLU  33   1.925  -0.218 -15.602
  225   1HB   GLU  33          2HB       GLU  33   1.539  -0.244 -18.086
  226   2HB   GLU  33          1HB       GLU  33   2.409  -1.663 -17.505
  227   1HG   GLU  33          2HG       GLU  33   0.825  -2.980 -18.410
  228   2HG   GLU  33          1HG       GLU  33  -0.367  -2.265 -17.324
  229    H    GLN  34           H        GLN  34  -0.972  -1.057 -14.616
  230    HA   GLN  34           HA       GLN  34  -2.124   1.572 -15.116
  231   1HB   GLN  34          2HB       GLN  34  -2.730   0.035 -17.125
  232   2HB   GLN  34          1HB       GLN  34  -3.793  -0.787 -15.986
  233   1HG   GLN  34          2HG       GLN  34  -4.454   1.808 -15.486
  234   2HG   GLN  34          1HG       GLN  34  -4.045   1.905 -17.199
  235   1HE2  GLN  34          1HE2      GLN  34  -5.948  -0.210 -14.971
  236   2HE2  GLN  34          2HE2      GLN  34  -7.194  -0.504 -16.084
  237    H    CYS  35           H        CYS  35  -1.288   0.361 -12.766
  238    HA   CYS  35           HA       CYS  35  -3.894  -0.010 -11.348
  239   1HB   CYS  35          2HB       CYS  35  -1.381  -1.654 -11.113
  240   2HB   CYS  35          1HB       CYS  35  -2.501  -1.529  -9.759
  241    H    PHE  36           H        PHE  36  -0.928   1.588 -11.657
  242    HA   PHE  36           HA       PHE  36  -0.199   2.327  -9.029
  243   1HB   PHE  36          2HB       PHE  36  -0.125   3.834 -11.656
  244   2HB   PHE  36          1HB       PHE  36   0.528   4.506 -10.176
  245    HD1  PHE  36           HD1      PHE  36   0.665   1.247 -12.058
  246    HD2  PHE  36           HD2      PHE  36   2.787   4.213  -9.818
  247    HE1  PHE  36           HE1      PHE  36   2.783   0.009 -12.407
  248    HE2  PHE  36           HE2      PHE  36   4.901   2.976 -10.153
  249    HZ   PHE  36           HZ       PHE  36   4.899   0.869 -11.456
  250    H    VAL  37           H        VAL  37  -2.159   2.614  -7.752
  251    HA   VAL  37           HA       VAL  37  -4.004   4.785  -8.592
  252    HB   VAL  37           HB       VAL  37  -5.208   3.965  -6.408
  253   1HG1  VAL  37          1HG1      VAL  37  -6.399   2.284  -7.755
  254   2HG1  VAL  37          2HG1      VAL  37  -5.072   2.254  -8.915
  255   3HG1  VAL  37          3HG1      VAL  37  -6.049   3.709  -8.730
  256   1HG2  VAL  37          1HG2      VAL  37  -3.971   1.338  -7.101
  257   2HG2  VAL  37          2HG2      VAL  37  -4.614   1.908  -5.562
  258   3HG2  VAL  37          3HG2      VAL  37  -3.023   2.438  -6.101
  259    H    CYS  38           H        CYS  38  -4.782   6.301  -6.994
  260    HA   CYS  38           HA       CYS  38  -2.573   7.476  -5.438
  261   1HB   CYS  38          2HB       CYS  38  -4.075   8.886  -6.829
  262   2HB   CYS  38          1HB       CYS  38  -5.437   8.395  -5.829
  263    H    ALA  39           H        ALA  39  -2.395   7.207  -3.261
  264    HA   ALA  39           HA       ALA  39  -3.947   5.320  -1.825
  265   1HB   ALA  39          1HB       ALA  39  -1.874   7.328  -1.157
  266   2HB   ALA  39          2HB       ALA  39  -1.985   5.630  -0.699
  267   3HB   ALA  39          3HB       ALA  39  -2.913   6.841   0.182
  268    H    GLN  40           H        GLN  40  -4.829   8.442  -2.774
  269    HA   GLN  40           HA       GLN  40  -6.849   8.605  -0.569
  270   1HB   GLN  40          2HB       GLN  40  -5.925  10.938  -2.250
  271   2HB   GLN  40          1HB       GLN  40  -6.778  10.974  -0.708
  272   1HG   GLN  40          2HG       GLN  40  -4.545   9.528  -0.047
  273   2HG   GLN  40          1HG       GLN  40  -3.894  10.630  -1.256
  274   1HE2  GLN  40          1HE2      GLN  40  -2.880  12.244  -0.041
  275   2HE2  GLN  40          2HE2      GLN  40  -3.624  13.111   1.218
  276    H    CYS  41           H        CYS  41  -6.457   9.792  -3.951
  277    HA   CYS  41           HA       CYS  41  -9.355   9.636  -4.345
  278   1HB   CYS  41          2HB       CYS  41  -8.982  10.605  -6.471
  279   2HB   CYS  41          1HB       CYS  41  -7.750  11.328  -5.442
  280    H    PHE  42           H        PHE  42  -6.832   7.408  -4.481
  281    HA   PHE  42           HA       PHE  42  -6.669   5.223  -5.301
  282   1HB   PHE  42          2HB       PHE  42  -9.684   5.352  -5.527
  283   2HB   PHE  42          1HB       PHE  42  -8.680   3.924  -5.277
  284    HD1  PHE  42           HD1      PHE  42 -10.835   6.049  -3.626
  285    HD2  PHE  42           HD2      PHE  42  -6.912   4.350  -3.182
  286    HE1  PHE  42           HE1      PHE  42 -10.966   6.382  -1.172
  287    HE2  PHE  42           HE2      PHE  42  -7.047   4.684  -0.730
  288    HZ   PHE  42           HZ       PHE  42  -9.073   5.700   0.275
  289    H    GLN  43           H        GLN  43  -7.025   7.630  -7.239
  290    HA   GLN  43           HA       GLN  43  -8.192   6.390  -9.616
  291   1HB   GLN  43          2HB       GLN  43  -8.253   8.838  -9.342
  292   2HB   GLN  43          1HB       GLN  43  -6.492   8.889  -9.294
  293   1HG   GLN  43          2HG       GLN  43  -7.450   9.471 -11.543
  294   2HG   GLN  43          1HG       GLN  43  -6.346   8.098 -11.583
  295   1HE2  GLN  43          1HE2      GLN  43  -7.156   6.189 -12.494
  296   2HE2  GLN  43          2HE2      GLN  43  -8.798   5.893 -12.811
  297    H    GLN  44           H        GLN  44  -7.105   4.921 -10.853
  298    HA   GLN  44           HA       GLN  44  -4.349   4.270 -10.327
  299   1HB   GLN  44          2HB       GLN  44  -4.668   2.886 -12.488
  300   2HB   GLN  44          1HB       GLN  44  -5.617   2.452 -11.077
  301   1HG   GLN  44          2HG       GLN  44  -7.585   3.422 -11.945
  302   2HG   GLN  44          1HG       GLN  44  -6.693   4.398 -13.112
  303   1HE2  GLN  44          1HE2      GLN  44  -7.178   3.609 -15.165
  304   2HE2  GLN  44          2HE2      GLN  44  -7.222   1.967 -15.590
  305    H    PHE  45           H        PHE  45  -2.771   4.142 -12.239
  306    HA   PHE  45           HA       PHE  45  -3.010   6.535 -14.001
  307   1HB   PHE  45          2HB       PHE  45  -1.518   6.688 -11.767
  308   2HB   PHE  45          1HB       PHE  45  -0.329   5.949 -12.834
  309    HD1  PHE  45           HD1      PHE  45  -2.032   8.993 -11.934
  310    HD2  PHE  45           HD2      PHE  45   0.126   7.053 -15.097
  311    HE1  PHE  45           HE1      PHE  45  -1.614  11.194 -12.998
  312    HE2  PHE  45           HE2      PHE  45   0.545   9.253 -16.163
  313    HZ   PHE  45           HZ       PHE  45  -0.326  11.324 -15.113
  314    HA   PRO  46           HA       PRO  46  -1.943   3.327 -16.905
  315   1HB   PRO  46          2HB       PRO  46  -1.486   5.312 -18.919
  316   2HB   PRO  46          1HB       PRO  46  -2.902   4.274 -18.725
  317   1HG   PRO  46          2HG       PRO  46  -2.704   7.109 -18.201
  318   2HG   PRO  46          1HG       PRO  46  -4.127   6.071 -18.050
  319   1HD   PRO  46          2HD       PRO  46  -2.559   7.217 -15.929
  320   2HD   PRO  46          1HD       PRO  46  -3.964   6.141 -15.782
  321    H    GLU  47           H        GLU  47  -0.050   3.172 -18.630
  322    HA   GLU  47           HA       GLU  47   2.250   3.254 -19.105
  323   1HB   GLU  47          2HB       GLU  47   1.744   5.828 -18.475
  324   2HB   GLU  47          1HB       GLU  47   2.792   5.412 -17.119
  325   1HG   GLU  47          2HG       GLU  47   4.374   6.075 -18.684
  326   2HG   GLU  47          1HG       GLU  47   4.295   4.346 -19.025
  327    H    GLY  48           H        GLY  48   1.309   3.638 -15.702
  328   1HA   GLY  48          2HA       GLY  48   1.823   2.083 -13.971
  329   2HA   GLY  48          1HA       GLY  48   3.037   1.348 -15.014
  330    H    LEU  49           H        LEU  49   2.519   4.678 -13.760
  331    HA   LEU  49           HA       LEU  49   4.819   4.631 -12.052
  332   1HB   LEU  49          2HB       LEU  49   5.588   4.694 -14.691
  333   2HB   LEU  49          1HB       LEU  49   5.530   6.411 -14.298
  334    HG   LEU  49           HG       LEU  49   6.965   4.358 -12.592
  335   1HD1  LEU  49          1HD1      LEU  49   9.043   5.294 -13.605
  336   2HD1  LEU  49          2HD1      LEU  49   8.047   6.216 -14.732
  337   3HD1  LEU  49          3HD1      LEU  49   8.037   4.453 -14.785
  338   1HD2  LEU  49          1HD2      LEU  49   8.144   6.619 -11.940
  339   2HD2  LEU  49          2HD2      LEU  49   6.572   6.232 -11.240
  340   3HD2  LEU  49          3HD2      LEU  49   6.682   7.356 -12.594
  341    H    PHE  50           H        PHE  50   4.642   6.301 -10.682
  342    HA   PHE  50           HA       PHE  50   3.787   8.944 -11.474
  343   1HB   PHE  50          2HB       PHE  50   1.728   9.062 -10.131
  344   2HB   PHE  50          1HB       PHE  50   1.567   7.871 -11.412
  345    HD1  PHE  50           HD1      PHE  50   3.726   6.390  -9.060
  346    HD2  PHE  50           HD2      PHE  50  -0.407   7.448  -9.598
  347    HE1  PHE  50           HE1      PHE  50   3.058   4.684  -7.398
  348    HE2  PHE  50           HE2      PHE  50  -1.052   5.737  -7.925
  349    HZ   PHE  50           HZ       PHE  50   0.680   4.355  -6.840
  350    H    TYR  51           H        TYR  51   2.773   9.382  -8.614
  351    HA   TYR  51           HA       TYR  51   5.477   9.615  -7.454
  352   1HB   TYR  51          2HB       TYR  51   3.001  11.064  -7.206
  353   2HB   TYR  51          1HB       TYR  51   3.530  10.533  -5.610
  354    HD1  TYR  51           HD1      TYR  51   6.016  10.908  -4.995
  355    HD2  TYR  51           HD2      TYR  51   4.030  12.923  -8.230
  356    HE1  TYR  51           HE1      TYR  51   7.771  12.655  -4.982
  357    HE2  TYR  51           HE2      TYR  51   5.787  14.674  -8.215
  358    HH   TYR  51           HH       TYR  51   7.444  15.604  -6.719
  359    H    GLU  52           H        GLU  52   5.200   7.062  -7.567
  360    HA   GLU  52           HA       GLU  52   3.660   5.736  -5.553
  361   1HB   GLU  52          2HB       GLU  52   4.779   3.798  -6.216
  362   2HB   GLU  52          1HB       GLU  52   4.994   4.814  -7.639
  363   1HG   GLU  52          2HG       GLU  52   7.016   4.579  -5.391
  364   2HG   GLU  52          1HG       GLU  52   7.120   3.719  -6.923
  365    H    PHE  53           H        PHE  53   4.699   4.543  -3.657
  366    HA   PHE  53           HA       PHE  53   7.084   5.832  -2.505
  367   1HB   PHE  53          2HB       PHE  53   4.432   6.699  -1.814
  368   2HB   PHE  53          1HB       PHE  53   5.140   5.887  -0.418
  369    HD1  PHE  53           HD1      PHE  53   7.148   6.750   0.666
  370    HD2  PHE  53           HD2      PHE  53   5.464   8.723  -2.762
  371    HE1  PHE  53           HE1      PHE  53   8.555   8.741   1.117
  372    HE2  PHE  53           HE2      PHE  53   6.872  10.711  -2.308
  373    HZ   PHE  53           HZ       PHE  53   8.418  10.720  -0.369
  374    H    GLU  54           H        GLU  54   7.555   4.788  -0.290
  375    HA   GLU  54           HA       GLU  54   7.462   1.912  -0.618
  376   1HB   GLU  54          2HB       GLU  54   8.493   1.970   1.739
  377   2HB   GLU  54          1HB       GLU  54   9.406   2.760   0.454
  378   1HG   GLU  54          2HG       GLU  54   9.230   4.778   1.452
  379   2HG   GLU  54          1HG       GLU  54   7.491   4.590   1.677
  380    H    GLY  55           H        GLY  55   5.723   0.687  -0.121
  381   1HA   GLY  55          2HA       GLY  55   3.854  -0.131   1.044
  382   2HA   GLY  55          1HA       GLY  55   4.388   0.832   2.423
  383    H    ARG  56           H        ARG  56   4.134   2.789  -0.291
  384    HA   ARG  56           HA       ARG  56   1.259   3.396   0.076
  385   1HB   ARG  56          2HB       ARG  56   3.531   5.167   0.914
  386   2HB   ARG  56          1HB       ARG  56   2.090   5.916   0.223
  387   1HG   ARG  56          2HG       ARG  56   0.702   4.663   1.891
  388   2HG   ARG  56          1HG       ARG  56   2.194   4.081   2.633
  389   1HD   ARG  56          2HD       ARG  56   2.598   6.822   2.426
  390   2HD   ARG  56          1HD       ARG  56   0.898   6.698   2.867
  391    HE   ARG  56           HE       ARG  56   3.015   6.400   4.681
  392   1HH1  ARG  56          1HH2      ARG  56   0.338   4.493   3.597
  393   2HH1  ARG  56          2HH2      ARG  56   0.282   3.536   5.037
  394   1HH2  ARG  56          2HH1      ARG  56   2.935   5.164   6.548
  395   2HH2  ARG  56          1HH1      ARG  56   1.744   3.916   6.703
  396    H    LYS  57           H        LYS  57   0.810   5.445  -1.451
  397    HA   LYS  57           HA       LYS  57   2.530   5.705  -3.761
  398   1HB   LYS  57          2HB       LYS  57   0.267   4.769  -5.085
  399   2HB   LYS  57          1HB       LYS  57   1.812   3.935  -4.959
  400   1HG   LYS  57          2HG       LYS  57   0.993   2.402  -3.489
  401   2HG   LYS  57          1HG       LYS  57   0.065   3.606  -2.601
  402   1HD   LYS  57          2HD       LYS  57  -0.865   2.957  -5.352
  403   2HD   LYS  57          1HD       LYS  57  -1.128   1.740  -4.106
  404   1HE   LYS  57          2HE       LYS  57  -2.922   3.629  -4.523
  405   2HE   LYS  57          1HE       LYS  57  -2.546   3.105  -2.888
  406   1HZ   LYS  57          1HZ       LYS  57  -2.159   5.248  -2.525
  407   2HZ   LYS  57          2HZ       LYS  57  -2.039   5.619  -4.177
  408   3HZ   LYS  57          3HZ       LYS  57  -0.699   5.005  -3.341
  409    H    TYR  58           H        TYR  58   1.797   7.363  -5.174
  410    HA   TYR  58           HA       TYR  58  -0.821   8.623  -4.637
  411   1HB   TYR  58          2HB       TYR  58   1.829  10.018  -4.162
  412   2HB   TYR  58          1HB       TYR  58   0.294  10.873  -4.314
  413    HD1  TYR  58           HD1      TYR  58   2.416   8.828  -2.182
  414    HD2  TYR  58           HD2      TYR  58  -1.550  10.436  -2.642
  415    HE1  TYR  58           HE1      TYR  58   1.950   8.370   0.211
  416    HE2  TYR  58           HE2      TYR  58  -2.008   9.976  -0.248
  417    HH   TYR  58           HH       TYR  58   0.281   9.423   1.993
  418    H    CYS  59           H        CYS  59  -1.621   9.433  -6.539
  419    HA   CYS  59           HA       CYS  59   0.066   9.270  -8.930
  420   1HB   CYS  59          2HB       CYS  59  -1.991   9.976 -10.129
  421   2HB   CYS  59          1HB       CYS  59  -2.290   8.591  -9.077
  422    H    GLU  60           H        GLU  60  -0.197  11.274 -10.494
  423    HA   GLU  60           HA       GLU  60   1.223  13.447  -9.356
  424   1HB   GLU  60          2HB       GLU  60   1.117  12.961 -11.795
  425   2HB   GLU  60          1HB       GLU  60  -0.565  13.491 -11.810
  426   1HG   GLU  60          2HG       GLU  60   0.002  15.730 -11.369
  427   2HG   GLU  60          1HG       GLU  60   1.591  15.301 -10.736
  428    H    HIS  61           H        HIS  61  -2.169  12.708  -9.322
  429    HA   HIS  61           HA       HIS  61  -3.185  15.371  -8.957
  430   1HB   HIS  61          2HB       HIS  61  -4.995  14.038  -9.339
  431   2HB   HIS  61          1HB       HIS  61  -4.212  12.618  -8.658
  432    HD2  HIS  61           HD2      HIS  61  -5.837  15.927  -7.123
  433    HE1  HIS  61           HE1      HIS  61  -6.448  12.722  -4.445
  434    HE2  HIS  61           HE2      HIS  61  -6.891  15.187  -4.854
  435    H    ASP  62           H        ASP  62  -2.959  12.848  -6.433
  436    HA   ASP  62           HA       ASP  62  -3.293  14.536  -4.229
  437   1HB   ASP  62          2HB       ASP  62  -2.815  11.874  -4.547
  438   2HB   ASP  62          1HB       ASP  62  -1.298  12.411  -3.839
  439    H    PHE  63           H        PHE  63  -0.279  13.701  -5.902
  440    HA   PHE  63           HA       PHE  63   1.370  15.198  -4.073
  441   1HB   PHE  63          2HB       PHE  63   1.787  13.399  -6.187
  442   2HB   PHE  63          1HB       PHE  63   2.563  14.899  -6.692
  443    HD1  PHE  63           HD1      PHE  63   4.422  15.855  -5.422
  444    HD2  PHE  63           HD2      PHE  63   2.485  12.244  -4.136
  445    HE1  PHE  63           HE1      PHE  63   6.268  15.434  -3.822
  446    HE2  PHE  63           HE2      PHE  63   4.333  11.820  -2.539
  447    HZ   PHE  63           HZ       PHE  63   6.225  13.416  -2.380
  448    H    GLN  64           H        GLN  64  -0.186  16.019  -7.196
  449    HA   GLN  64           HA       GLN  64   1.119  18.647  -7.209
  450   1HB   GLN  64          2HB       GLN  64  -0.079  19.101  -9.198
  451   2HB   GLN  64          1HB       GLN  64   0.267  17.376  -9.290
  452   1HG   GLN  64          2HG       GLN  64  -1.988  16.875  -8.432
  453   2HG   GLN  64          1HG       GLN  64  -2.336  18.593  -8.315
  454   1HE2  GLN  64          1HE2      GLN  64  -2.244  19.837 -10.444
  455   2HE2  GLN  64          2HE2      GLN  64  -2.663  19.017 -11.870
  456    H    MET  65           H        MET  65  -1.198  17.300  -5.350
  457    HA   MET  65           HA       MET  65  -2.973  19.640  -5.110
  458   1HB   MET  65          2HB       MET  65  -3.713  17.183  -4.789
  459   2HB   MET  65          1HB       MET  65  -2.849  17.244  -3.254
  460   1HG   MET  65          2HG       MET  65  -4.792  19.436  -3.877
  461   2HG   MET  65          1HG       MET  65  -5.426  17.867  -3.384
  462   1HE   MET  65          1HE       MET  65  -5.533  20.378  -0.294
  463   2HE   MET  65          2HE       MET  65  -6.508  19.461  -1.440
  464   3HE   MET  65          3HE       MET  65  -5.557  20.833  -2.004
  465    H    LEU  66           H        LEU  66  -0.332  18.001  -3.482
  466    HA   LEU  66           HA       LEU  66  -0.253  19.831  -1.202
  467   1HB   LEU  66          2HB       LEU  66   2.153  18.284  -2.149
  468   2HB   LEU  66          1HB       LEU  66   1.627  18.612  -0.500
  469    HG   LEU  66           HG       LEU  66   0.329  16.695  -2.452
  470   1HD1  LEU  66          1HD1      LEU  66   1.056  14.974  -0.866
  471   2HD1  LEU  66          2HD1      LEU  66   1.761  16.210   0.177
  472   3HD1  LEU  66          3HD1      LEU  66   2.446  15.907  -1.421
  473   1HD2  LEU  66          1HD2      LEU  66  -1.452  17.587  -1.149
  474   2HD2  LEU  66          2HD2      LEU  66  -0.462  17.647   0.308
  475   3HD2  LEU  66          3HD2      LEU  66  -1.009  16.094  -0.324
  476    H    PHE  67           H        PHE  67   1.882  19.228  -3.986
  477    HA   PHE  67           HA       PHE  67   2.001  21.870  -4.916
  478   1HB   PHE  67          2HB       PHE  67   3.161  22.099  -2.599
  479   2HB   PHE  67          1HB       PHE  67   4.504  21.247  -3.351
  480    HD1  PHE  67           HD1      PHE  67   5.825  22.270  -5.123
  481    HD2  PHE  67           HD2      PHE  67   2.495  24.342  -3.369
  482    HE1  PHE  67           HE1      PHE  67   6.581  24.381  -6.181
  483    HE2  PHE  67           HE2      PHE  67   3.252  26.453  -4.427
  484    HZ   PHE  67           HZ       PHE  67   5.295  26.473  -5.833
  485    H    ALA  68           H        ALA  68   3.921  18.959  -4.359
  486    HA   ALA  68           HA       ALA  68   5.318  17.730  -5.792
  487   1HB   ALA  68          1HB       ALA  68   4.466  17.542  -8.143
  488   2HB   ALA  68          2HB       ALA  68   3.300  18.814  -7.783
  489   3HB   ALA  68          3HB       ALA  68   3.217  17.273  -6.930
  490    HA   PRO  69           HA       PRO  69   7.497  21.705  -6.950
  491   1HB   PRO  69          2HB       PRO  69   9.778  20.730  -5.512
  492   2HB   PRO  69          1HB       PRO  69   8.736  22.095  -5.088
  493   1HG   PRO  69          2HG       PRO  69   8.874  19.508  -3.804
  494   2HG   PRO  69          1HG       PRO  69   7.860  20.889  -3.364
  495   1HD   PRO  69          2HD       PRO  69   7.038  18.423  -4.611
  496   2HD   PRO  69          1HD       PRO  69   6.026  19.815  -4.173
  497    H    CYS  70           H        CYS  70   7.933  18.328  -7.264
  498    HA   CYS  70           HA       CYS  70   9.028  17.027  -8.874
  499   1HB   CYS  70          2HB       CYS  70   8.089  19.077 -10.280
  500   2HB   CYS  70          1HB       CYS  70   9.801  19.474 -10.423
  501    HG   CYS  70           HG       CYS  70  10.187  17.097 -11.500
  Start of MODEL   10
    1    H    MET   1           1H       MET   1  16.848 -23.490   1.348
    2    HA   MET   1           HA       MET   1  17.581 -25.446  -0.733
    3   1HB   MET   1          2HB       MET   1  15.652 -25.384   1.607
    4   2HB   MET   1          1HB       MET   1  15.728 -26.702   0.438
    5   1HG   MET   1          2HG       MET   1  18.152 -26.993   0.996
    6   2HG   MET   1          1HG       MET   1  17.971 -25.767   2.252
    7   1HE   MET   1          1HE       MET   1  19.001 -27.665   3.847
    8   2HE   MET   1          2HE       MET   1  18.987 -28.798   2.499
    9   3HE   MET   1          3HE       MET   1  18.283 -29.270   4.044
   10    H    ALA   2           H        ALA   2  14.586 -23.910   0.507
   11    HA   ALA   2           HA       ALA   2  13.320 -24.193  -2.122
   12   1HB   ALA   2          1HB       ALA   2  11.368 -23.168  -1.029
   13   2HB   ALA   2          2HB       ALA   2  12.348 -22.782   0.385
   14   3HB   ALA   2          3HB       ALA   2  12.020 -24.465  -0.028
   15    H    ASN   3           H        ASN   3  15.516 -22.696  -2.576
   16    HA   ASN   3           HA       ASN   3  14.950 -19.832  -2.329
   17   1HB   ASN   3          2HB       ASN   3  17.092 -21.290  -3.913
   18   2HB   ASN   3          1HB       ASN   3  17.048 -19.556  -3.597
   19   1HD2  ASN   3          1HD2      ASN   3  17.855 -18.827  -1.582
   20   2HD2  ASN   3          2HD2      ASN   3  18.399 -19.864  -0.353
   21    H    ALA   4           H        ALA   4  12.793 -20.173  -3.480
   22    HA   ALA   4           HA       ALA   4  13.123 -19.432  -6.306
   23   1HB   ALA   4          1HB       ALA   4  13.046 -21.880  -6.461
   24   2HB   ALA   4          2HB       ALA   4  11.556 -21.191  -7.105
   25   3HB   ALA   4          3HB       ALA   4  11.571 -21.912  -5.496
   26    H    LEU   5           H        LEU   5  11.709 -17.792  -6.642
   27    HA   LEU   5           HA       LEU   5   8.974 -17.913  -5.598
   28   1HB   LEU   5          2HB       LEU   5  10.478 -16.982  -3.722
   29   2HB   LEU   5          1HB       LEU   5  10.677 -15.562  -4.748
   30    HG   LEU   5           HG       LEU   5   7.879 -16.473  -4.402
   31   1HD1  LEU   5          1HD1      LEU   5   9.450 -15.263  -2.104
   32   2HD1  LEU   5          2HD1      LEU   5   8.731 -16.873  -2.134
   33   3HD1  LEU   5          3HD1      LEU   5   7.697 -15.446  -2.151
   34   1HD2  LEU   5          1HD2      LEU   5   9.310 -13.802  -4.188
   35   2HD2  LEU   5          2HD2      LEU   5   7.561 -14.015  -4.132
   36   3HD2  LEU   5          3HD2      LEU   5   8.449 -14.411  -5.602
   37    H    ALA   6           H        ALA   6   7.642 -16.846  -7.002
   38    HA   ALA   6           HA       ALA   6   8.556 -14.532  -8.542
   39   1HB   ALA   6          1HB       ALA   6   8.160 -15.613 -10.756
   40   2HB   ALA   6          2HB       ALA   6   7.972 -17.164  -9.939
   41   3HB   ALA   6          3HB       ALA   6   9.524 -16.327  -9.897
   42    H    SER   7           H        SER   7   6.122 -16.863  -7.641
   43    HA   SER   7           HA       SER   7   3.922 -15.695  -9.092
   44   1HB   SER   7          2HB       SER   7   2.524 -16.949  -7.402
   45   2HB   SER   7          1HB       SER   7   3.702 -17.946  -8.250
   46    HG   SER   7           HG       SER   7   4.229 -16.690  -5.764
   47    H    ALA   8           H        ALA   8   3.242 -13.643  -8.761
   48    HA   ALA   8           HA       ALA   8   2.764 -12.720  -5.987
   49   1HB   ALA   8          1HB       ALA   8   3.873 -10.530  -6.489
   50   2HB   ALA   8          2HB       ALA   8   4.476 -11.220  -7.996
   51   3HB   ALA   8          3HB       ALA   8   5.007 -11.881  -6.449
   52    H    THR   9           H        THR   9   1.381 -10.719  -5.999
   53    HA   THR   9           HA       THR   9  -0.184 -10.488  -8.540
   54    HB   THR   9           HB       THR   9  -2.229 -10.258  -7.180
   55    HG1  THR   9           HG1      THR   9  -0.977  -9.464  -5.322
   56   1HG2  THR   9          1HG2      THR   9  -1.566 -12.508  -7.934
   57   2HG2  THR   9          2HG2      THR   9  -2.369 -12.580  -6.365
   58   3HG2  THR   9          3HG2      THR   9  -0.614 -12.720  -6.465
   59    H    CYS  10           H        CYS  10  -1.286  -8.421  -8.802
   60    HA   CYS  10           HA       CYS  10   0.374  -6.167  -8.235
   61   1HB   CYS  10          2HB       CYS  10  -1.274  -6.401 -10.127
   62   2HB   CYS  10          1HB       CYS  10  -2.546  -6.092  -8.959
   63    H    GLU  11           H        GLU  11  -0.218  -4.239  -7.010
   64    HA   GLU  11           HA       GLU  11  -1.055  -4.937  -4.308
   65   1HB   GLU  11          2HB       GLU  11   0.706  -3.387  -4.386
   66   2HB   GLU  11          1HB       GLU  11  -0.046  -2.453  -5.678
   67   1HG   GLU  11          2HG       GLU  11  -1.556  -2.645  -3.111
   68   2HG   GLU  11          1HG       GLU  11  -0.093  -1.665  -3.095
   69    H    ARG  12           H        ARG  12  -2.326  -2.696  -6.802
   70    HA   ARG  12           HA       ARG  12  -4.749  -2.252  -5.186
   71   1HB   ARG  12          2HB       ARG  12  -5.301  -0.562  -6.783
   72   2HB   ARG  12          1HB       ARG  12  -3.561  -0.453  -6.526
   73   1HG   ARG  12          2HG       ARG  12  -3.468  -0.507  -8.800
   74   2HG   ARG  12          1HG       ARG  12  -3.629  -2.243  -8.574
   75   1HD   ARG  12          2HD       ARG  12  -5.243  -1.297 -10.249
   76   2HD   ARG  12          1HD       ARG  12  -6.032  -2.121  -8.908
   77    HE   ARG  12           HE       ARG  12  -5.920   0.525  -8.087
   78   1HH1  ARG  12          1HH2      ARG  12  -7.056  -1.175 -10.867
   79   2HH1  ARG  12          2HH2      ARG  12  -8.328  -0.049 -11.197
   80   1HH2  ARG  12          2HH1      ARG  12  -7.578   1.998  -8.505
   81   2HH2  ARG  12          1HH1      ARG  12  -8.623   1.744  -9.863
   82    H    CYS  13           H        CYS  13  -3.835  -4.017  -8.105
   83    HA   CYS  13           HA       CYS  13  -6.690  -4.785  -8.478
   84   1HB   CYS  13          2HB       CYS  13  -6.271  -4.902 -10.711
   85   2HB   CYS  13          1HB       CYS  13  -4.885  -3.896 -10.309
   86    H    LYS  14           H        LYS  14  -3.668  -6.045  -7.371
   87    HA   LYS  14           HA       LYS  14  -3.035  -8.205  -6.710
   88   1HB   LYS  14          2HB       LYS  14  -6.045  -8.564  -6.551
   89   2HB   LYS  14          1HB       LYS  14  -4.847  -9.625  -5.811
   90   1HG   LYS  14          2HG       LYS  14  -4.811  -6.676  -5.207
   91   2HG   LYS  14          1HG       LYS  14  -5.942  -7.733  -4.363
   92   1HD   LYS  14          2HD       LYS  14  -3.058  -8.547  -4.534
   93   2HD   LYS  14          1HD       LYS  14  -3.526  -7.306  -3.372
   94   1HE   LYS  14          2HE       LYS  14  -4.993  -9.942  -3.559
   95   2HE   LYS  14          1HE       LYS  14  -3.566  -9.741  -2.542
   96   1HZ   LYS  14          1HZ       LYS  14  -4.692  -7.867  -1.455
   97   2HZ   LYS  14          2HZ       LYS  14  -5.539  -9.328  -1.261
   98   3HZ   LYS  14          3HZ       LYS  14  -6.081  -8.170  -2.380
   99    H    GLY  15           H        GLY  15  -3.150  -7.741  -9.512
  100   1HA   GLY  15          2HA       GLY  15  -4.406 -10.143 -10.689
  101   2HA   GLY  15          1HA       GLY  15  -3.566  -8.874 -11.581
  102    H    GLY  16           H        GLY  16  -3.298 -12.026 -10.844
  103   1HA   GLY  16          2HA       GLY  16  -0.649 -12.353  -9.867
  104   2HA   GLY  16          1HA       GLY  16  -1.513 -13.545 -10.839
  105    H    PHE  17           H        PHE  17   0.872 -11.042 -10.866
  106    HA   PHE  17           HA       PHE  17   1.216 -11.367 -13.816
  107   1HB   PHE  17          2HB       PHE  17   2.783  -9.317 -13.464
  108   2HB   PHE  17          1HB       PHE  17   1.047  -9.064 -13.445
  109    HD1  PHE  17           HD1      PHE  17   1.249  -6.988 -12.146
  110    HD2  PHE  17           HD2      PHE  17   2.716 -10.716 -10.585
  111    HE1  PHE  17           HE1      PHE  17   1.458  -5.975  -9.907
  112    HE2  PHE  17           HE2      PHE  17   2.916  -9.692  -8.348
  113    HZ   PHE  17           HZ       PHE  17   2.286  -7.330  -8.006
  114    H    ALA  18           H        ALA  18   3.888 -10.824 -14.151
  115    HA   ALA  18           HA       ALA  18   5.650 -12.009 -12.263
  116   1HB   ALA  18          1HB       ALA  18   4.083 -13.909 -13.825
  117   2HB   ALA  18          2HB       ALA  18   5.103 -14.187 -12.415
  118   3HB   ALA  18          3HB       ALA  18   5.818 -14.152 -14.026
  119    HA   PRO  19           HA       PRO  19   7.743 -12.177 -16.679
  120   1HB   PRO  19          2HB       PRO  19   6.085 -10.510 -18.380
  121   2HB   PRO  19          1HB       PRO  19   6.592 -12.184 -18.620
  122   1HG   PRO  19          2HG       PRO  19   3.983 -11.252 -17.873
  123   2HG   PRO  19          1HG       PRO  19   4.520 -12.928 -18.051
  124   1HD   PRO  19          2HD       PRO  19   3.909 -11.521 -15.618
  125   2HD   PRO  19          1HD       PRO  19   4.449 -13.201 -15.794
  126    H    ALA  20           H        ALA  20   6.186  -9.104 -17.452
  127    HA   ALA  20           HA       ALA  20   7.805  -7.488 -15.681
  128   1HB   ALA  20          1HB       ALA  20   9.672  -8.093 -17.040
  129   2HB   ALA  20          2HB       ALA  20   9.190  -6.491 -17.596
  130   3HB   ALA  20          3HB       ALA  20   8.739  -7.920 -18.527
  131    H    GLU  21           H        GLU  21   6.296  -7.519 -18.930
  132    HA   GLU  21           HA       GLU  21   5.546  -4.763 -18.935
  133   1HB   GLU  21          2HB       GLU  21   5.075  -7.084 -20.580
  134   2HB   GLU  21          1HB       GLU  21   3.541  -6.259 -20.304
  135   1HG   GLU  21          2HG       GLU  21   6.004  -4.705 -21.088
  136   2HG   GLU  21          1HG       GLU  21   5.001  -5.484 -22.310
  137    H    LYS  22           H        LYS  22   4.374  -7.528 -17.282
  138    HA   LYS  22           HA       LYS  22   1.936  -6.065 -16.405
  139   1HB   LYS  22          2HB       LYS  22   2.656  -9.006 -16.184
  140   2HB   LYS  22          1HB       LYS  22   1.154  -8.285 -15.606
  141   1HG   LYS  22          2HG       LYS  22   0.652  -7.525 -17.917
  142   2HG   LYS  22          1HG       LYS  22   2.123  -8.318 -18.480
  143   1HD   LYS  22          2HD       LYS  22   1.278 -10.492 -17.766
  144   2HD   LYS  22          1HD       LYS  22  -0.155  -9.738 -17.068
  145   1HE   LYS  22          2HE       LYS  22  -0.645 -10.693 -19.296
  146   2HE   LYS  22          1HE       LYS  22  -0.834  -8.939 -19.297
  147   1HZ   LYS  22          1HZ       LYS  22   1.202  -8.655 -20.389
  148   2HZ   LYS  22          2HZ       LYS  22   0.457  -9.948 -21.203
  149   3HZ   LYS  22          3HZ       LYS  22   1.700 -10.248 -20.085
  150    H    ILE  23           H        ILE  23   4.955  -7.505 -15.358
  151    HA   ILE  23           HA       ILE  23   4.305  -6.947 -12.518
  152    HB   ILE  23           HB       ILE  23   6.034  -8.820 -13.910
  153   1HG1  ILE  23          2HG1      ILE  23   4.342  -9.360 -12.173
  154   2HG1  ILE  23          1HG1      ILE  23   5.935  -9.980 -11.755
  155   1HG2  ILE  23          1HG2      ILE  23   7.323  -7.036 -11.830
  156   2HG2  ILE  23          2HG2      ILE  23   7.931  -7.454 -13.433
  157   3HG2  ILE  23          3HG2      ILE  23   7.898  -8.670 -12.160
  158   1HD1  ILE  23          1HD1      ILE  23   6.212  -7.714 -10.484
  159   2HD1  ILE  23          2HD1      ILE  23   5.236  -8.986  -9.751
  160   3HD1  ILE  23          3HD1      ILE  23   4.453  -7.641 -10.579
  161    H    VAL  24           H        VAL  24   4.763  -4.954 -11.781
  162    HA   VAL  24           HA       VAL  24   7.282  -3.641 -12.692
  163    HB   VAL  24           HB       VAL  24   4.819  -1.982 -12.179
  164   1HG1  VAL  24          1HG1      VAL  24   6.006  -0.409 -13.650
  165   2HG1  VAL  24          2HG1      VAL  24   7.276  -1.603 -13.917
  166   3HG1  VAL  24          3HG1      VAL  24   7.038  -0.912 -12.311
  167   1HG2  VAL  24          1HG2      VAL  24   4.404  -1.992 -14.651
  168   2HG2  VAL  24          2HG2      VAL  24   4.106  -3.564 -13.912
  169   3HG2  VAL  24          3HG2      VAL  24   5.593  -3.283 -14.816
  170    H    ASN  25           H        ASN  25   8.474  -3.272 -10.890
  171    HA   ASN  25           HA       ASN  25   7.000  -2.858  -8.323
  172   1HB   ASN  25          2HB       ASN  25   8.212  -4.823  -7.999
  173   2HB   ASN  25          1HB       ASN  25   9.581  -4.265  -8.959
  174   1HD2  ASN  25          1HD2      ASN  25   7.803  -3.118  -6.018
  175   2HD2  ASN  25          2HD2      ASN  25   9.208  -2.750  -5.141
  176    H    SER  26           H        SER  26   7.651  -1.168  -7.005
  177    HA   SER  26           HA       SER  26   9.884   0.558  -7.880
  178   1HB   SER  26          2HB       SER  26   8.614   2.388  -8.457
  179   2HB   SER  26          1HB       SER  26   7.444   1.138  -8.887
  180    HG   SER  26           HG       SER  26   7.464   2.944  -6.784
  181    H    ASN  27           H        ASN  27  10.932   1.278  -6.093
  182    HA   ASN  27           HA       ASN  27  11.389   1.770  -3.856
  183   1HB   ASN  27          2HB       ASN  27   8.389   2.128  -3.643
  184   2HB   ASN  27          1HB       ASN  27   9.593   2.725  -2.506
  185   1HD2  ASN  27          1HD2      ASN  27  10.326   4.822  -2.883
  186   2HD2  ASN  27          2HD2      ASN  27  10.179   5.650  -4.358
  187    H    GLY  28           H        GLY  28   8.205   0.262  -3.364
  188   1HA   GLY  28          2HA       GLY  28   9.396  -2.276  -2.528
  189   2HA   GLY  28          1HA       GLY  28   8.782  -1.316  -1.185
  190    H    GLU  29           H        GLU  29   7.116  -0.965  -4.195
  191    HA   GLU  29           HA       GLU  29   4.972  -2.822  -3.229
  192   1HB   GLU  29          2HB       GLU  29   4.864   0.031  -3.676
  193   2HB   GLU  29          1HB       GLU  29   3.771  -0.794  -4.787
  194   1HG   GLU  29          2HG       GLU  29   2.860  -2.069  -2.810
  195   2HG   GLU  29          1HG       GLU  29   3.823  -1.017  -1.771
  196    H    LEU  30           H        LEU  30   3.495  -3.516  -5.050
  197    HA   LEU  30           HA       LEU  30   5.036  -3.746  -7.608
  198   1HB   LEU  30          2HB       LEU  30   3.459  -5.699  -6.003
  199   2HB   LEU  30          1HB       LEU  30   3.296  -5.800  -7.754
  200    HG   LEU  30           HG       LEU  30   5.115  -7.256  -6.878
  201   1HD1  LEU  30          1HD1      LEU  30   5.126  -6.117  -9.177
  202   2HD1  LEU  30          2HD1      LEU  30   6.677  -6.708  -8.583
  203   3HD1  LEU  30          3HD1      LEU  30   6.293  -4.990  -8.492
  204   1HD2  LEU  30          1HD2      LEU  30   5.683  -5.451  -5.061
  205   2HD2  LEU  30          2HD2      LEU  30   6.705  -4.760  -6.320
  206   3HD2  LEU  30          3HD2      LEU  30   6.991  -6.405  -5.758
  207    H    TYR  31           H        TYR  31   3.985  -3.121  -9.460
  208    HA   TYR  31           HA       TYR  31   1.043  -2.665  -9.369
  209   1HB   TYR  31          2HB       TYR  31   2.626  -0.601 -10.808
  210   2HB   TYR  31          1HB       TYR  31   1.134  -0.417  -9.896
  211    HD1  TYR  31           HD1      TYR  31   4.781  -1.192  -9.354
  212    HD2  TYR  31           HD2      TYR  31   1.217   0.674  -7.839
  213    HE1  TYR  31           HE1      TYR  31   6.073  -0.254  -7.466
  214    HE2  TYR  31           HE2      TYR  31   2.516   1.611  -5.947
  215    HH   TYR  31           HH       TYR  31   5.939   1.592  -5.889
  216    H    HIS  32           H        HIS  32   0.108  -2.571 -11.506
  217    HA   HIS  32           HA       HIS  32   1.573  -4.198 -13.488
  218   1HB   HIS  32          2HB       HIS  32  -1.254  -3.292 -13.106
  219   2HB   HIS  32          1HB       HIS  32  -0.725  -3.601 -14.753
  220    HD2  HIS  32           HD2      HIS  32   0.413  -6.366 -15.015
  221    HE1  HIS  32           HE1      HIS  32  -2.000  -7.778 -11.859
  222    HE2  HIS  32           HE2      HIS  32  -0.542  -8.480 -13.815
  223    H    GLU  33           H        GLU  33   1.016  -3.241 -15.878
  224    HA   GLU  33           HA       GLU  33   2.383  -0.669 -15.943
  225   1HB   GLU  33          2HB       GLU  33   1.980  -0.855 -18.437
  226   2HB   GLU  33          1HB       GLU  33   2.827  -2.244 -17.754
  227   1HG   GLU  33          2HG       GLU  33   0.735  -3.512 -17.651
  228   2HG   GLU  33          1HG       GLU  33  -0.166  -2.116 -18.239
  229    H    GLN  34           H        GLN  34  -0.792  -1.698 -15.524
  230    HA   GLN  34           HA       GLN  34  -1.773   1.066 -15.991
  231   1HB   GLN  34          2HB       GLN  34  -2.967  -1.488 -17.085
  232   2HB   GLN  34          1HB       GLN  34  -3.940  -0.033 -16.862
  233   1HG   GLN  34          2HG       GLN  34  -2.817   1.142 -18.517
  234   2HG   GLN  34          1HG       GLN  34  -1.334   0.211 -18.321
  235   1HE2  GLN  34          1HE2      GLN  34  -0.974  -1.339 -19.913
  236   2HE2  GLN  34          2HE2      GLN  34  -2.177  -2.015 -20.903
  237    H    CYS  35           H        CYS  35  -1.121   0.349 -13.516
  238    HA   CYS  35           HA       CYS  35  -3.761  -0.055 -12.209
  239   1HB   CYS  35          2HB       CYS  35  -1.268  -1.673 -11.711
  240   2HB   CYS  35          1HB       CYS  35  -2.468  -1.458 -10.447
  241    H    PHE  36           H        PHE  36  -0.951   1.748 -12.555
  242    HA   PHE  36           HA       PHE  36  -0.145   2.501  -9.984
  243   1HB   PHE  36          2HB       PHE  36  -0.696   4.370 -12.308
  244   2HB   PHE  36          1HB       PHE  36   0.342   4.706 -10.938
  245    HD1  PHE  36           HD1      PHE  36   0.987   1.396 -11.258
  246    HD2  PHE  36           HD2      PHE  36   1.547   5.018 -13.502
  247    HE1  PHE  36           HE1      PHE  36   2.893   0.364 -12.459
  248    HE2  PHE  36           HE2      PHE  36   3.450   3.975 -14.701
  249    HZ   PHE  36           HZ       PHE  36   4.122   1.651 -14.178
  250    H    VAL  37           H        VAL  37  -1.289   3.273  -8.228
  251    HA   VAL  37           HA       VAL  37  -3.769   4.858  -8.764
  252    HB   VAL  37           HB       VAL  37  -4.478   3.613  -6.482
  253   1HG1  VAL  37          1HG1      VAL  37  -4.855   2.320  -9.195
  254   2HG1  VAL  37          2HG1      VAL  37  -5.692   3.792  -8.704
  255   3HG1  VAL  37          3HG1      VAL  37  -5.960   2.291  -7.822
  256   1HG2  VAL  37          1HG2      VAL  37  -3.368   1.270  -7.942
  257   2HG2  VAL  37          2HG2      VAL  37  -3.616   1.506  -6.215
  258   3HG2  VAL  37          3HG2      VAL  37  -2.216   2.222  -7.009
  259    H    CYS  38           H        CYS  38  -4.493   6.140  -6.911
  260    HA   CYS  38           HA       CYS  38  -2.193   7.288  -5.438
  261   1HB   CYS  38          2HB       CYS  38  -4.020   8.656  -6.624
  262   2HB   CYS  38          1HB       CYS  38  -5.073   8.185  -5.294
  263    H    ALA  39           H        ALA  39  -1.806   6.776  -3.335
  264    HA   ALA  39           HA       ALA  39  -3.122   4.714  -1.944
  265   1HB   ALA  39          1HB       ALA  39  -2.000   5.677   0.105
  266   2HB   ALA  39          2HB       ALA  39  -1.479   7.030  -0.899
  267   3HB   ALA  39          3HB       ALA  39  -0.918   5.399  -1.259
  268    H    GLN  40           H        GLN  40  -4.139   8.003  -2.340
  269    HA   GLN  40           HA       GLN  40  -6.088   7.675  -0.094
  270   1HB   GLN  40          2HB       GLN  40  -5.642  10.280  -1.524
  271   2HB   GLN  40          1HB       GLN  40  -6.173   9.996   0.132
  272   1HG   GLN  40          2HG       GLN  40  -3.856   9.003   0.562
  273   2HG   GLN  40          1HG       GLN  40  -3.386   9.675  -0.999
  274   1HE2  GLN  40          1HE2      GLN  40  -1.987  11.342  -0.197
  275   2HE2  GLN  40          2HE2      GLN  40  -2.547  12.636   0.747
  276    H    CYS  41           H        CYS  41  -6.124   9.421  -3.238
  277    HA   CYS  41           HA       CYS  41  -8.983   9.010  -3.512
  278   1HB   CYS  41          2HB       CYS  41  -8.805  10.193  -5.564
  279   2HB   CYS  41          1HB       CYS  41  -7.584  10.913  -4.519
  280    H    PHE  42           H        PHE  42  -6.266   7.058  -4.193
  281    HA   PHE  42           HA       PHE  42  -6.021   5.017  -5.311
  282   1HB   PHE  42          2HB       PHE  42  -8.771   5.067  -4.246
  283   2HB   PHE  42          1HB       PHE  42  -8.521   3.930  -5.571
  284    HD1  PHE  42           HD1      PHE  42  -7.800   1.790  -5.003
  285    HD2  PHE  42           HD2      PHE  42  -6.708   5.104  -2.495
  286    HE1  PHE  42           HE1      PHE  42  -6.638   0.239  -3.457
  287    HE2  PHE  42           HE2      PHE  42  -5.547   3.550  -0.949
  288    HZ   PHE  42           HZ       PHE  42  -5.511   1.118  -1.430
  289    H    GLN  43           H        GLN  43  -6.927   7.583  -6.821
  290    HA   GLN  43           HA       GLN  43  -8.471   6.804  -9.082
  291   1HB   GLN  43          2HB       GLN  43  -7.514   9.160  -8.354
  292   2HB   GLN  43          1HB       GLN  43  -6.152   8.702  -9.375
  293   1HG   GLN  43          2HG       GLN  43  -8.996   8.496 -10.372
  294   2HG   GLN  43          1HG       GLN  43  -8.097  10.010 -10.479
  295   1HE2  GLN  43          1HE2      GLN  43  -8.935   7.607 -12.452
  296   2HE2  GLN  43          2HE2      GLN  43  -7.532   7.442 -13.393
  297    H    GLN  44           H        GLN  44  -7.969   5.405 -10.707
  298    HA   GLN  44           HA       GLN  44  -5.380   4.068 -10.683
  299   1HB   GLN  44          2HB       GLN  44  -6.816   3.366 -13.041
  300   2HB   GLN  44          1HB       GLN  44  -6.581   2.405 -11.584
  301   1HG   GLN  44          2HG       GLN  44  -8.943   2.572 -11.867
  302   2HG   GLN  44          1HG       GLN  44  -8.547   3.707 -10.579
  303   1HE2  GLN  44          1HE2      GLN  44  -9.865   5.519 -10.876
  304   2HE2  GLN  44          2HE2      GLN  44 -10.129   6.293 -12.362
  305    H    PHE  45           H        PHE  45  -3.776   4.185 -12.210
  306    HA   PHE  45           HA       PHE  45  -4.068   6.204 -14.385
  307   1HB   PHE  45          2HB       PHE  45  -2.691   6.775 -12.109
  308   2HB   PHE  45          1HB       PHE  45  -1.415   6.008 -13.046
  309    HD1  PHE  45           HD1      PHE  45  -3.316   9.007 -12.535
  310    HD2  PHE  45           HD2      PHE  45  -1.022   6.844 -15.455
  311    HE1  PHE  45           HE1      PHE  45  -3.030  11.088 -13.852
  312    HE2  PHE  45           HE2      PHE  45  -0.738   8.927 -16.771
  313    HZ   PHE  45           HZ       PHE  45  -1.741  11.048 -15.970
  314    HA   PRO  46           HA       PRO  46  -2.657   2.681 -16.694
  315   1HB   PRO  46          2HB       PRO  46  -1.852   4.378 -18.863
  316   2HB   PRO  46          1HB       PRO  46  -3.304   3.378 -18.747
  317   1HG   PRO  46          2HG       PRO  46  -3.124   6.255 -18.574
  318   2HG   PRO  46          1HG       PRO  46  -4.574   5.249 -18.478
  319   1HD   PRO  46          2HD       PRO  46  -3.283   6.670 -16.339
  320   2HD   PRO  46          1HD       PRO  46  -4.714   5.624 -16.240
  321    H    GLU  47           H        GLU  47  -0.527   2.828 -18.537
  322    HA   GLU  47           HA       GLU  47   1.764   2.808 -16.753
  323   1HB   GLU  47          2HB       GLU  47   1.234   1.502 -19.060
  324   2HB   GLU  47          1HB       GLU  47   2.177   2.842 -19.710
  325   1HG   GLU  47          2HG       GLU  47   3.077   1.053 -17.430
  326   2HG   GLU  47          1HG       GLU  47   3.592   0.874 -19.106
  327    H    GLY  48           H        GLY  48   0.814   5.244 -16.414
  328   1HA   GLY  48          2HA       GLY  48   2.376   7.067 -18.209
  329   2HA   GLY  48          1HA       GLY  48   1.022   7.569 -17.199
  330    H    LEU  49           H        LEU  49   2.745   5.474 -15.342
  331    HA   LEU  49           HA       LEU  49   4.212   5.760 -13.528
  332   1HB   LEU  49          2HB       LEU  49   5.634   6.630 -15.603
  333   2HB   LEU  49          1HB       LEU  49   5.412   8.190 -14.813
  334    HG   LEU  49           HG       LEU  49   6.102   6.258 -12.808
  335   1HD1  LEU  49          1HD1      LEU  49   8.333   5.594 -13.600
  336   2HD1  LEU  49          2HD1      LEU  49   8.029   6.381 -15.149
  337   3HD1  LEU  49          3HD1      LEU  49   7.087   4.967 -14.680
  338   1HD2  LEU  49          1HD2      LEU  49   6.489   8.708 -12.724
  339   2HD2  LEU  49          2HD2      LEU  49   7.678   8.557 -14.017
  340   3HD2  LEU  49          3HD2      LEU  49   7.981   7.810 -12.448
  341    H    PHE  50           H        PHE  50   4.760   7.383 -11.794
  342    HA   PHE  50           HA       PHE  50   3.471   9.916 -11.659
  343   1HB   PHE  50          2HB       PHE  50   1.600   9.382 -10.146
  344   2HB   PHE  50          1HB       PHE  50   1.391   8.616 -11.709
  345    HD1  PHE  50           HD1      PHE  50   3.363   6.241 -11.255
  346    HD2  PHE  50           HD2      PHE  50   0.272   7.947  -8.821
  347    HE1  PHE  50           HE1      PHE  50   3.053   4.077 -10.119
  348    HE2  PHE  50           HE2      PHE  50  -0.024   5.801  -7.686
  349    HZ   PHE  50           HZ       PHE  50   1.362   3.847  -8.324
  350    H    TYR  51           H        TYR  51   2.777   8.781  -8.678
  351    HA   TYR  51           HA       TYR  51   5.606   9.129  -7.777
  352   1HB   TYR  51          2HB       TYR  51   3.142  10.514  -6.989
  353   2HB   TYR  51          1HB       TYR  51   4.059   9.892  -5.617
  354    HD1  TYR  51           HD1      TYR  51   6.579  10.382  -5.533
  355    HD2  TYR  51           HD2      TYR  51   3.849  12.469  -8.114
  356    HE1  TYR  51           HE1      TYR  51   8.223  12.217  -5.784
  357    HE2  TYR  51           HE2      TYR  51   5.496  14.308  -8.365
  358    HH   TYR  51           HH       TYR  51   7.460  15.220  -6.941
  359    H    GLU  52           H        GLU  52   4.846   6.589  -8.327
  360    HA   GLU  52           HA       GLU  52   3.574   5.176  -6.181
  361   1HB   GLU  52          2HB       GLU  52   4.858   3.186  -7.113
  362   2HB   GLU  52          1HB       GLU  52   3.879   4.046  -8.289
  363   1HG   GLU  52          2HG       GLU  52   6.686   4.989  -7.964
  364   2HG   GLU  52          1HG       GLU  52   6.463   3.426  -8.740
  365    H    PHE  53           H        PHE  53   4.452   4.285  -4.264
  366    HA   PHE  53           HA       PHE  53   7.357   4.750  -3.767
  367   1HB   PHE  53          2HB       PHE  53   5.183   6.216  -2.580
  368   2HB   PHE  53          1HB       PHE  53   5.994   5.273  -1.331
  369    HD1  PHE  53           HD1      PHE  53   8.161   5.860  -0.549
  370    HD2  PHE  53           HD2      PHE  53   6.570   7.739  -4.072
  371    HE1  PHE  53           HE1      PHE  53  10.044   7.472  -0.542
  372    HE2  PHE  53           HE2      PHE  53   8.454   9.350  -4.062
  373    HZ   PHE  53           HZ       PHE  53  10.190   9.216  -2.297
  374    H    GLU  54           H        GLU  54   7.933   3.696  -1.526
  375    HA   GLU  54           HA       GLU  54   7.196   0.895  -1.708
  376   1HB   GLU  54          2HB       GLU  54   8.599   0.738   0.425
  377   2HB   GLU  54          1HB       GLU  54   9.431   1.335  -1.008
  378   1HG   GLU  54          2HG       GLU  54   8.208   3.563   0.333
  379   2HG   GLU  54          1HG       GLU  54   9.133   2.633   1.507
  380    H    GLY  55           H        GLY  55   5.440  -0.015  -0.784
  381   1HA   GLY  55          2HA       GLY  55   3.646  -0.366   0.690
  382   2HA   GLY  55          1HA       GLY  55   4.586   0.516   1.897
  383    H    ARG  56           H        ARG  56   4.302   2.408  -0.842
  384    HA   ARG  56           HA       ARG  56   1.700   3.606  -0.074
  385   1HB   ARG  56          2HB       ARG  56   4.329   5.126  -0.115
  386   2HB   ARG  56          1HB       ARG  56   2.738   5.877   0.008
  387   1HG   ARG  56          2HG       ARG  56   2.321   4.518   2.077
  388   2HG   ARG  56          1HG       ARG  56   3.990   3.951   1.985
  389   1HD   ARG  56          2HD       ARG  56   4.224   6.711   1.736
  390   2HD   ARG  56          1HD       ARG  56   2.949   6.517   2.936
  391    HE   ARG  56           HE       ARG  56   5.680   6.220   3.490
  392   1HH1  ARG  56          1HH2      ARG  56   2.835   4.262   3.733
  393   2HH1  ARG  56          2HH2      ARG  56   3.491   3.253   4.976
  394   1HH2  ARG  56          2HH1      ARG  56   6.522   4.917   5.107
  395   2HH2  ARG  56          1HH1      ARG  56   5.568   3.623   5.752
  396    H    LYS  57           H        LYS  57   1.183   5.422  -1.706
  397    HA   LYS  57           HA       LYS  57   2.570   5.401  -4.250
  398   1HB   LYS  57          2HB       LYS  57   0.212   4.512  -5.275
  399   2HB   LYS  57          1HB       LYS  57   1.597   3.463  -4.982
  400   1HG   LYS  57          2HG       LYS  57   0.707   2.638  -2.963
  401   2HG   LYS  57          1HG       LYS  57  -0.417   3.986  -2.799
  402   1HD   LYS  57          2HD       LYS  57  -0.681   2.265  -5.219
  403   2HD   LYS  57          1HD       LYS  57  -1.212   1.590  -3.680
  404   1HE   LYS  57          2HE       LYS  57  -2.120   4.341  -4.019
  405   2HE   LYS  57          1HE       LYS  57  -2.684   3.301  -5.316
  406   1HZ   LYS  57          1HZ       LYS  57  -4.189   3.328  -3.397
  407   2HZ   LYS  57          2HZ       LYS  57  -2.950   2.681  -2.430
  408   3HZ   LYS  57          3HZ       LYS  57  -3.584   1.777  -3.721
  409    H    TYR  58           H        TYR  58   2.021   7.262  -5.349
  410    HA   TYR  58           HA       TYR  58  -0.551   8.595  -4.680
  411   1HB   TYR  58          2HB       TYR  58   2.201   9.820  -4.391
  412   2HB   TYR  58          1HB       TYR  58   0.703  10.759  -4.370
  413    HD1  TYR  58           HD1      TYR  58   2.983   8.758  -2.456
  414    HD2  TYR  58           HD2      TYR  58  -1.104  10.089  -2.639
  415    HE1  TYR  58           HE1      TYR  58   2.697   8.202  -0.058
  416    HE2  TYR  58           HE2      TYR  58  -1.384   9.533  -0.234
  417    HH   TYR  58           HH       TYR  58   1.096   9.060   1.849
  418    H    CYS  59           H        CYS  59  -1.369   9.801  -6.365
  419    HA   CYS  59           HA       CYS  59   0.156   9.678  -8.915
  420   1HB   CYS  59          2HB       CYS  59  -2.007  10.108  -9.997
  421   2HB   CYS  59          1HB       CYS  59  -2.114   8.708  -8.936
  422    H    GLU  60           H        GLU  60  -0.120  11.641 -10.345
  423    HA   GLU  60           HA       GLU  60   1.021  13.910  -9.200
  424   1HB   GLU  60          2HB       GLU  60   0.699  13.381 -11.682
  425   2HB   GLU  60          1HB       GLU  60  -0.921  14.058 -11.516
  426   1HG   GLU  60          2HG       GLU  60  -0.126  16.213 -11.092
  427   2HG   GLU  60          1HG       GLU  60   1.445  15.632 -10.537
  428    H    HIS  61           H        HIS  61  -2.278  12.865  -8.985
  429    HA   HIS  61           HA       HIS  61  -3.482  15.431  -8.498
  430   1HB   HIS  61          2HB       HIS  61  -5.210  13.974  -8.791
  431   2HB   HIS  61          1HB       HIS  61  -4.269  12.602  -8.224
  432    HD2  HIS  61           HD2      HIS  61  -6.039  15.711  -6.449
  433    HE1  HIS  61           HE1      HIS  61  -6.217  12.368  -3.881
  434    HE2  HIS  61           HE2      HIS  61  -6.878  14.801  -4.152
  435    H    ASP  62           H        ASP  62  -2.958  12.899  -6.009
  436    HA   ASP  62           HA       ASP  62  -3.175  14.677  -3.821
  437   1HB   ASP  62          2HB       ASP  62  -2.289  11.926  -4.240
  438   2HB   ASP  62          1HB       ASP  62  -1.374  12.732  -2.967
  439    H    PHE  63           H        PHE  63  -0.338  13.734  -5.723
  440    HA   PHE  63           HA       PHE  63   1.556  15.107  -4.060
  441   1HB   PHE  63          2HB       PHE  63   1.664  13.476  -6.349
  442   2HB   PHE  63          1HB       PHE  63   2.388  15.006  -6.831
  443    HD1  PHE  63           HD1      PHE  63   4.422  15.841  -5.768
  444    HD2  PHE  63           HD2      PHE  63   2.608  12.158  -4.498
  445    HE1  PHE  63           HE1      PHE  63   6.464  15.277  -4.479
  446    HE2  PHE  63           HE2      PHE  63   4.651  11.595  -3.212
  447    HZ   PHE  63           HZ       PHE  63   6.579  13.155  -3.202
  448    H    GLN  64           H        GLN  64  -0.306  16.160  -6.955
  449    HA   GLN  64           HA       GLN  64   1.015  18.766  -6.938
  450   1HB   GLN  64          2HB       GLN  64  -0.414  19.375  -8.720
  451   2HB   GLN  64          1HB       GLN  64  -0.157  17.651  -8.959
  452   1HG   GLN  64          2HG       GLN  64  -2.394  17.374  -8.920
  453   2HG   GLN  64          1HG       GLN  64  -2.384  17.862  -7.229
  454   1HE2  GLN  64          1HE2      GLN  64  -2.418  20.352  -6.884
  455   2HE2  GLN  64          2HE2      GLN  64  -3.349  21.264  -7.972
  456    H    MET  65           H        MET  65  -1.465  17.286  -5.153
  457    HA   MET  65           HA       MET  65  -3.014  19.618  -4.448
  458   1HB   MET  65          2HB       MET  65  -3.534  17.064  -4.068
  459   2HB   MET  65          1HB       MET  65  -2.609  17.281  -2.584
  460   1HG   MET  65          2HG       MET  65  -4.802  19.220  -3.277
  461   2HG   MET  65          1HG       MET  65  -5.199  17.671  -2.536
  462   1HE   MET  65          1HE       MET  65  -6.226  19.842  -1.039
  463   2HE   MET  65          2HE       MET  65  -5.125  21.068  -1.663
  464   3HE   MET  65          3HE       MET  65  -5.217  20.778   0.072
  465    H    LEU  66           H        LEU  66  -0.164  17.990  -3.146
  466    HA   LEU  66           HA       LEU  66   0.162  19.811  -0.890
  467   1HB   LEU  66          2HB       LEU  66   2.456  18.303  -2.135
  468   2HB   LEU  66          1HB       LEU  66   2.137  18.625  -0.431
  469    HG   LEU  66           HG       LEU  66   0.627  16.692  -2.211
  470   1HD1  LEU  66          1HD1      LEU  66   1.562  14.981  -0.737
  471   2HD1  LEU  66          2HD1      LEU  66   2.358  16.219   0.235
  472   3HD1  LEU  66          3HD1      LEU  66   2.870  15.940  -1.430
  473   1HD2  LEU  66          1HD2      LEU  66   0.175  17.618   0.637
  474   2HD2  LEU  66          2HD2      LEU  66  -0.457  16.084   0.041
  475   3HD2  LEU  66          3HD2      LEU  66  -0.983  17.597  -0.693
  476    H    PHE  67           H        PHE  67   1.041  19.660  -4.243
  477    HA   PHE  67           HA       PHE  67   2.063  21.170  -5.678
  478   1HB   PHE  67          2HB       PHE  67   0.308  22.637  -4.394
  479   2HB   PHE  67          1HB       PHE  67   1.725  23.326  -3.601
  480    HD1  PHE  67           HD1      PHE  67   3.228  24.790  -4.771
  481    HD2  PHE  67           HD2      PHE  67   0.085  22.760  -6.884
  482    HE1  PHE  67           HE1      PHE  67   3.651  26.206  -6.762
  483    HE2  PHE  67           HE2      PHE  67   0.510  24.177  -8.875
  484    HZ   PHE  67           HZ       PHE  67   2.293  25.899  -8.814
  485    H    ALA  68           H        ALA  68   4.052  19.877  -5.011
  486    HA   ALA  68           HA       ALA  68   5.900  20.953  -3.084
  487   1HB   ALA  68          1HB       ALA  68   6.023  18.617  -3.857
  488   2HB   ALA  68          2HB       ALA  68   7.545  19.452  -4.164
  489   3HB   ALA  68          3HB       ALA  68   6.413  19.171  -5.486
  490    HA   PRO  69           HA       PRO  69   7.122  24.478  -5.529
  491   1HB   PRO  69          2HB       PRO  69   9.378  24.893  -3.800
  492   2HB   PRO  69          1HB       PRO  69   7.845  25.775  -3.811
  493   1HG   PRO  69          2HG       PRO  69   8.769  23.867  -1.851
  494   2HG   PRO  69          1HG       PRO  69   7.246  24.766  -1.858
  495   1HD   PRO  69          2HD       PRO  69   7.640  21.961  -2.392
  496   2HD   PRO  69          1HD       PRO  69   6.114  22.871  -2.400
  497    H    CYS  70           H        CYS  70   8.801  21.580  -4.981
  498    HA   CYS  70           HA       CYS  70  10.781  22.276  -7.114
  499   1HB   CYS  70          2HB       CYS  70  11.284  20.451  -4.742
  500   2HB   CYS  70          1HB       CYS  70  12.448  20.897  -5.991
  501    HG   CYS  70           HG       CYS  70  11.242  23.227  -4.339
  Start of MODEL   11
    1    H    MET   1           1H       MET   1  15.662 -11.666  -4.658
    2    HA   MET   1           HA       MET   1  14.040 -10.891  -6.376
    3   1HB   MET   1          2HB       MET   1  16.318 -11.804  -8.161
    4   2HB   MET   1          1HB       MET   1  14.673 -11.505  -8.723
    5   1HG   MET   1          2HG       MET   1  14.822  -9.168  -7.969
    6   2HG   MET   1          1HG       MET   1  16.455  -9.457  -7.368
    7   1HE   MET   1          1HE       MET   1  17.733  -7.468 -10.237
    8   2HE   MET   1          2HE       MET   1  18.054  -8.096  -8.624
    9   3HE   MET   1          3HE       MET   1  16.590  -7.163  -8.922
   10    H    ALA   2           H        ALA   2  12.543 -12.487  -6.218
   11    HA   ALA   2           HA       ALA   2  13.353 -15.227  -5.631
   12   1HB   ALA   2          1HB       ALA   2  11.356 -14.261  -4.573
   13   2HB   ALA   2          2HB       ALA   2  10.910 -15.662  -5.548
   14   3HB   ALA   2          3HB       ALA   2  10.612 -14.032  -6.155
   15    H    ASN   3           H        ASN   3  11.368 -13.784  -8.246
   16    HA   ASN   3           HA       ASN   3  10.971 -14.522 -10.434
   17   1HB   ASN   3          2HB       ASN   3  13.522 -14.080 -10.378
   18   2HB   ASN   3          1HB       ASN   3  13.688 -15.835 -10.308
   19   1HD2  ASN   3          1HD2      ASN   3  11.820 -13.401 -12.229
   20   2HD2  ASN   3          2HD2      ASN   3  12.031 -14.201 -13.711
   21    H    ALA   4           H        ALA   4   9.763 -16.144  -8.603
   22    HA   ALA   4           HA       ALA   4  10.513 -18.945  -9.012
   23   1HB   ALA   4          1HB       ALA   4   8.672 -19.461  -7.570
   24   2HB   ALA   4          2HB       ALA   4   7.914 -17.895  -7.864
   25   3HB   ALA   4          3HB       ALA   4   9.399 -17.992  -6.919
   26    H    LEU   5           H        LEU   5   7.844 -20.007  -9.303
   27    HA   LEU   5           HA       LEU   5   7.621 -19.931 -12.194
   28   1HB   LEU   5          2HB       LEU   5   5.682 -21.434 -11.839
   29   2HB   LEU   5          1HB       LEU   5   7.088 -21.968 -10.919
   30    HG   LEU   5           HG       LEU   5   5.614 -20.109  -9.305
   31   1HD1  LEU   5          1HD1      LEU   5   3.487 -21.339  -9.091
   32   2HD1  LEU   5          2HD1      LEU   5   3.966 -22.406 -10.411
   33   3HD1  LEU   5          3HD1      LEU   5   3.675 -20.694 -10.721
   34   1HD2  LEU   5          1HD2      LEU   5   5.500 -22.054  -7.788
   35   2HD2  LEU   5          2HD2      LEU   5   7.107 -21.912  -8.502
   36   3HD2  LEU   5          3HD2      LEU   5   5.975 -23.119  -9.111
   37    H    ALA   6           H        ALA   6   4.870 -19.904 -12.657
   38    HA   ALA   6           HA       ALA   6   4.316 -17.103 -12.843
   39   1HB   ALA   6          1HB       ALA   6   2.451 -19.489 -13.059
   40   2HB   ALA   6          2HB       ALA   6   3.301 -18.702 -14.388
   41   3HB   ALA   6          3HB       ALA   6   2.028 -17.841 -13.523
   42    H    SER   7           H        SER   7   4.352 -16.095 -10.821
   43    HA   SER   7           HA       SER   7   1.985 -16.563  -9.119
   44   1HB   SER   7          2HB       SER   7   4.783 -16.626  -7.950
   45   2HB   SER   7          1HB       SER   7   3.271 -16.815  -7.069
   46    HG   SER   7           HG       SER   7   3.134 -18.578  -8.948
   47    H    ALA   8           H        ALA   8   2.749 -14.919  -6.988
   48    HA   ALA   8           HA       ALA   8   3.017 -12.676  -6.364
   49   1HB   ALA   8          1HB       ALA   8   4.652 -11.416  -7.412
   50   2HB   ALA   8          2HB       ALA   8   4.177 -11.944  -9.026
   51   3HB   ALA   8          3HB       ALA   8   5.104 -13.022  -7.983
   52    H    THR   9           H        THR   9   1.327 -11.285  -6.328
   53    HA   THR   9           HA       THR   9  -0.159 -10.829  -8.888
   54    HB   THR   9           HB       THR   9  -2.219 -10.688  -7.600
   55    HG1  THR   9           HG1      THR   9  -1.836 -11.385  -5.259
   56   1HG2  THR   9          1HG2      THR   9  -2.417 -12.979  -6.873
   57   2HG2  THR   9          2HG2      THR   9  -0.675 -13.105  -6.631
   58   3HG2  THR   9          3HG2      THR   9  -1.331 -12.953  -8.261
   59    H    CYS  10           H        CYS  10  -1.322  -8.722  -8.934
   60    HA   CYS  10           HA       CYS  10   0.424  -6.543  -8.366
   61   1HB   CYS  10          2HB       CYS  10  -1.398  -6.637 -10.114
   62   2HB   CYS  10          1HB       CYS  10  -2.540  -6.337  -8.819
   63    H    GLU  11           H        GLU  11   0.501  -5.049  -6.794
   64    HA   GLU  11           HA       GLU  11  -0.551  -5.781  -4.177
   65   1HB   GLU  11          2HB       GLU  11   1.728  -4.803  -4.672
   66   2HB   GLU  11          1HB       GLU  11   0.921  -3.277  -5.029
   67   1HG   GLU  11          2HG       GLU  11   1.073  -2.814  -2.815
   68   2HG   GLU  11          1HG       GLU  11  -0.140  -4.065  -2.554
   69    H    ARG  12           H        ARG  12  -2.335  -4.719  -6.498
   70    HA   ARG  12           HA       ARG  12  -3.953  -2.940  -4.771
   71   1HB   ARG  12          2HB       ARG  12  -4.186  -1.616  -7.166
   72   2HB   ARG  12          1HB       ARG  12  -3.133  -1.100  -5.854
   73   1HG   ARG  12          2HG       ARG  12  -1.405  -2.756  -6.953
   74   2HG   ARG  12          1HG       ARG  12  -2.429  -2.581  -8.372
   75   1HD   ARG  12          2HD       ARG  12  -1.442  -0.623  -8.832
   76   2HD   ARG  12          1HD       ARG  12  -1.983   0.027  -7.291
   77    HE   ARG  12           HE       ARG  12   0.701  -0.668  -7.980
   78   1HH1  ARG  12          1HH2      ARG  12  -1.560  -1.189  -5.427
   79   2HH1  ARG  12          2HH2      ARG  12  -0.340  -1.530  -4.251
   80   1HH2  ARG  12          2HH1      ARG  12   2.287  -1.113  -6.455
   81   2HH2  ARG  12          1HH1      ARG  12   1.826  -1.482  -4.828
   82    H    CYS  13           H        CYS  13  -3.636  -4.449  -7.973
   83    HA   CYS  13           HA       CYS  13  -6.579  -4.904  -8.028
   84   1HB   CYS  13          2HB       CYS  13  -6.414  -4.966 -10.326
   85   2HB   CYS  13          1HB       CYS  13  -4.986  -3.988  -9.993
   86    H    LYS  14           H        LYS  14  -3.649  -6.461  -7.296
   87    HA   LYS  14           HA       LYS  14  -3.102  -8.674  -6.797
   88   1HB   LYS  14          2HB       LYS  14  -6.120  -8.778  -6.541
   89   2HB   LYS  14          1HB       LYS  14  -5.081 -10.150  -6.162
   90   1HG   LYS  14          2HG       LYS  14  -5.458  -8.986  -4.096
   91   2HG   LYS  14          1HG       LYS  14  -3.805  -8.619  -4.590
   92   1HD   LYS  14          2HD       LYS  14  -4.356  -6.435  -5.267
   93   2HD   LYS  14          1HD       LYS  14  -6.073  -6.811  -5.408
   94   1HE   LYS  14          2HE       LYS  14  -6.282  -6.981  -2.989
   95   2HE   LYS  14          1HE       LYS  14  -4.542  -6.765  -2.791
   96   1HZ   LYS  14          1HZ       LYS  14  -5.763  -4.696  -4.359
   97   2HZ   LYS  14          2HZ       LYS  14  -4.724  -4.573  -3.020
   98   3HZ   LYS  14          3HZ       LYS  14  -6.394  -4.780  -2.787
   99    H    GLY  15           H        GLY  15  -3.113  -8.013  -9.515
  100   1HA   GLY  15          2HA       GLY  15  -4.450 -10.280 -10.893
  101   2HA   GLY  15          1HA       GLY  15  -3.637  -8.929 -11.686
  102    H    GLY  16           H        GLY  16  -3.324 -12.141 -11.141
  103   1HA   GLY  16          2HA       GLY  16  -0.650 -12.509 -10.280
  104   2HA   GLY  16          1HA       GLY  16  -1.526 -13.632 -11.318
  105    H    PHE  17           H        PHE  17   0.836 -11.102 -11.217
  106    HA   PHE  17           HA       PHE  17   1.116 -11.226 -14.189
  107   1HB   PHE  17          2HB       PHE  17   2.670  -9.189 -13.749
  108   2HB   PHE  17          1HB       PHE  17   0.934  -8.950 -13.654
  109    HD1  PHE  17           HD1      PHE  17   1.186  -6.953 -12.235
  110    HD2  PHE  17           HD2      PHE  17   2.696 -10.777 -10.963
  111    HE1  PHE  17           HE1      PHE  17   1.478  -6.084  -9.951
  112    HE2  PHE  17           HE2      PHE  17   2.976  -9.894  -8.673
  113    HZ   PHE  17           HZ       PHE  17   2.364  -7.551  -8.168
  114    H    ALA  18           H        ALA  18   3.776 -10.661 -14.559
  115    HA   ALA  18           HA       ALA  18   5.586 -11.933 -12.779
  116   1HB   ALA  18          1HB       ALA  18   5.035 -14.101 -13.016
  117   2HB   ALA  18          2HB       ALA  18   5.711 -13.994 -14.641
  118   3HB   ALA  18          3HB       ALA  18   3.981 -13.762 -14.389
  119    HA   PRO  19           HA       PRO  19   7.569 -11.899 -17.250
  120   1HB   PRO  19          2HB       PRO  19   5.859 -10.160 -18.825
  121   2HB   PRO  19          1HB       PRO  19   6.368 -11.817 -19.161
  122   1HG   PRO  19          2HG       PRO  19   3.774 -10.940 -18.300
  123   2HG   PRO  19          1HG       PRO  19   4.314 -12.600 -18.576
  124   1HD   PRO  19          2HD       PRO  19   3.758 -11.327 -16.060
  125   2HD   PRO  19          1HD       PRO  19   4.313 -12.988 -16.334
  126    H    ALA  20           H        ALA  20   5.959  -8.804 -17.807
  127    HA   ALA  20           HA       ALA  20   7.620  -7.257 -16.018
  128   1HB   ALA  20          1HB       ALA  20   8.927  -6.154 -17.941
  129   2HB   ALA  20          2HB       ALA  20   8.483  -7.566 -18.901
  130   3HB   ALA  20          3HB       ALA  20   9.460  -7.760 -17.444
  131    H    GLU  21           H        GLU  21   5.957  -7.223 -19.177
  132    HA   GLU  21           HA       GLU  21   5.194  -4.470 -19.115
  133   1HB   GLU  21          2HB       GLU  21   3.457  -6.631 -20.317
  134   2HB   GLU  21          1HB       GLU  21   3.723  -4.987 -20.895
  135   1HG   GLU  21          2HG       GLU  21   5.097  -6.104 -22.368
  136   2HG   GLU  21          1HG       GLU  21   6.251  -5.864 -21.056
  137    H    LYS  22           H        LYS  22   4.133  -7.269 -17.437
  138    HA   LYS  22           HA       LYS  22   1.739  -5.835 -16.404
  139   1HB   LYS  22          2HB       LYS  22   2.421  -8.775 -16.119
  140   2HB   LYS  22          1HB       LYS  22   0.877  -8.004 -15.760
  141   1HG   LYS  22          2HG       LYS  22   0.479  -7.525 -18.082
  142   2HG   LYS  22          1HG       LYS  22   2.123  -7.986 -18.521
  143   1HD   LYS  22          2HD       LYS  22   1.486 -10.302 -17.483
  144   2HD   LYS  22          1HD       LYS  22  -0.174  -9.751 -17.709
  145   1HE   LYS  22          2HE       LYS  22   0.163  -9.468 -20.082
  146   2HE   LYS  22          1HE       LYS  22   1.896  -9.753 -19.921
  147   1HZ   LYS  22          1HZ       LYS  22   0.829 -11.741 -20.691
  148   2HZ   LYS  22          2HZ       LYS  22  -0.274 -11.711 -19.398
  149   3HZ   LYS  22          3HZ       LYS  22   1.376 -11.998 -19.106
  150    H    ILE  23           H        ILE  23   4.803  -7.302 -15.548
  151    HA   ILE  23           HA       ILE  23   4.285  -6.849 -12.663
  152    HB   ILE  23           HB       ILE  23   5.968  -8.648 -14.215
  153   1HG1  ILE  23          2HG1      ILE  23   4.326  -9.318 -12.493
  154   2HG1  ILE  23          1HG1      ILE  23   5.936  -9.917 -12.108
  155   1HG2  ILE  23          1HG2      ILE  23   7.875  -7.316 -13.711
  156   2HG2  ILE  23          2HG2      ILE  23   7.869  -8.590 -12.494
  157   3HG2  ILE  23          3HG2      ILE  23   7.304  -6.974 -12.077
  158   1HD1  ILE  23          1HD1      ILE  23   6.149  -7.683 -10.747
  159   2HD1  ILE  23          2HD1      ILE  23   5.247  -9.031 -10.057
  160   3HD1  ILE  23          3HD1      ILE  23   4.386  -7.690 -10.811
  161    H    VAL  24           H        VAL  24   4.780  -4.888 -11.863
  162    HA   VAL  24           HA       VAL  24   7.271  -3.543 -12.795
  163    HB   VAL  24           HB       VAL  24   4.795  -1.909 -12.267
  164   1HG1  VAL  24          1HG1      VAL  24   7.005  -0.813 -12.381
  165   2HG1  VAL  24          2HG1      VAL  24   5.970  -0.307 -13.716
  166   3HG1  VAL  24          3HG1      VAL  24   7.253  -1.485 -13.992
  167   1HG2  VAL  24          1HG2      VAL  24   5.584  -3.204 -14.899
  168   2HG2  VAL  24          2HG2      VAL  24   4.418  -1.889 -14.757
  169   3HG2  VAL  24          3HG2      VAL  24   4.079  -3.451 -14.013
  170    H    ASN  25           H        ASN  25   8.451  -3.462 -10.927
  171    HA   ASN  25           HA       ASN  25   6.988  -3.001  -8.370
  172   1HB   ASN  25          2HB       ASN  25   8.306  -4.887  -8.037
  173   2HB   ASN  25          1HB       ASN  25   9.612  -4.291  -9.062
  174   1HD2  ASN  25          1HD2      ASN  25   7.935  -3.382  -5.988
  175   2HD2  ASN  25          2HD2      ASN  25   9.347  -2.858  -5.206
  176    H    SER  26           H        SER  26   7.655  -1.331  -6.977
  177    HA   SER  26           HA       SER  26   9.771   0.517  -7.860
  178   1HB   SER  26          2HB       SER  26   8.422   2.340  -8.345
  179   2HB   SER  26          1HB       SER  26   7.385   1.037  -8.926
  180    HG   SER  26           HG       SER  26   6.013   1.847  -7.550
  181    H    ASN  27           H        ASN  27  10.751   1.377  -6.081
  182    HA   ASN  27           HA       ASN  27  11.201   1.838  -3.834
  183   1HB   ASN  27          2HB       ASN  27   8.189   2.058  -3.588
  184   2HB   ASN  27          1HB       ASN  27   9.391   2.746  -2.499
  185   1HD2  ASN  27          1HD2      ASN  27   7.990   3.037  -5.752
  186   2HD2  ASN  27          2HD2      ASN  27   8.613   4.585  -6.065
  187    H    GLY  28           H        GLY  28   8.086   0.337  -3.144
  188   1HA   GLY  28          2HA       GLY  28   9.318  -2.233  -2.430
  189   2HA   GLY  28          1HA       GLY  28   8.743  -1.287  -1.056
  190    H    GLU  29           H        GLU  29   7.342  -1.650  -4.313
  191    HA   GLU  29           HA       GLU  29   5.076  -3.208  -3.233
  192   1HB   GLU  29          2HB       GLU  29   4.975  -0.325  -3.801
  193   2HB   GLU  29          1HB       GLU  29   3.733  -1.245  -4.646
  194   1HG   GLU  29          2HG       GLU  29   3.077  -2.288  -2.485
  195   2HG   GLU  29          1HG       GLU  29   4.274  -1.286  -1.665
  196    H    LEU  30           H        LEU  30   3.586  -3.875  -5.068
  197    HA   LEU  30           HA       LEU  30   5.107  -3.998  -7.647
  198   1HB   LEU  30          2HB       LEU  30   3.569  -6.030  -6.101
  199   2HB   LEU  30          1HB       LEU  30   3.369  -6.055  -7.850
  200    HG   LEU  30           HG       LEU  30   5.214  -7.535  -7.102
  201   1HD1  LEU  30          1HD1      LEU  30   6.397  -5.176  -8.566
  202   2HD1  LEU  30          2HD1      LEU  30   5.187  -6.213  -9.318
  203   3HD1  LEU  30          3HD1      LEU  30   6.730  -6.892  -8.798
  204   1HD2  LEU  30          1HD2      LEU  30   6.775  -5.058  -6.390
  205   2HD2  LEU  30          2HD2      LEU  30   7.107  -6.735  -5.962
  206   3HD2  LEU  30          3HD2      LEU  30   5.790  -5.870  -5.172
  207    H    TYR  31           H        TYR  31   4.093  -3.068  -9.358
  208    HA   TYR  31           HA       TYR  31   1.132  -2.677  -9.202
  209   1HB   TYR  31          2HB       TYR  31   2.804  -0.633 -10.608
  210   2HB   TYR  31          1HB       TYR  31   1.245  -0.437  -9.831
  211    HD1  TYR  31           HD1      TYR  31   4.703  -1.500  -8.724
  212    HD2  TYR  31           HD2      TYR  31   1.289   1.016  -8.040
  213    HE1  TYR  31           HE1      TYR  31   5.832  -0.512  -6.760
  214    HE2  TYR  31           HE2      TYR  31   2.417   2.003  -6.066
  215    HH   TYR  31           HH       TYR  31   4.186   1.431  -4.479
  216    H    HIS  32           H        HIS  32   0.089  -2.583 -11.222
  217    HA   HIS  32           HA       HIS  32   1.426  -4.103 -13.377
  218   1HB   HIS  32          2HB       HIS  32  -1.357  -3.240 -12.753
  219   2HB   HIS  32          1HB       HIS  32  -0.951  -3.363 -14.459
  220    HD2  HIS  32           HD2      HIS  32   0.264  -6.086 -15.034
  221    HE1  HIS  32           HE1      HIS  32  -2.088  -7.832 -12.001
  222    HE2  HIS  32           HE2      HIS  32  -0.655  -8.319 -14.039
  223    H    GLU  33           H        GLU  33   0.807  -3.029 -15.695
  224    HA   GLU  33           HA       GLU  33   2.172  -0.455 -15.676
  225   1HB   GLU  33          2HB       GLU  33   1.783  -0.531 -18.159
  226   2HB   GLU  33          1HB       GLU  33   2.585  -1.976 -17.543
  227   1HG   GLU  33          2HG       GLU  33   0.932  -3.240 -18.401
  228   2HG   GLU  33          1HG       GLU  33  -0.219  -2.432 -17.340
  229    H    GLN  34           H        GLN  34  -0.944  -1.382 -15.043
  230    HA   GLN  34           HA       GLN  34  -1.922   1.372 -15.444
  231   1HB   GLN  34          2HB       GLN  34  -2.516  -0.016 -17.507
  232   2HB   GLN  34          1HB       GLN  34  -3.550  -0.976 -16.451
  233   1HG   GLN  34          2HG       GLN  34  -5.035   0.780 -16.079
  234   2HG   GLN  34          1HG       GLN  34  -3.822   2.014 -16.422
  235   1HE2  GLN  34          1HE2      GLN  34  -4.508  -0.822 -18.491
  236   2HE2  GLN  34          2HE2      GLN  34  -5.074   0.079 -19.812
  237    H    CYS  35           H        CYS  35  -1.248   0.232 -13.054
  238    HA   CYS  35           HA       CYS  35  -3.921  -0.156 -11.774
  239   1HB   CYS  35          2HB       CYS  35  -1.389  -1.733 -11.351
  240   2HB   CYS  35          1HB       CYS  35  -2.590  -1.597 -10.073
  241    H    PHE  36           H        PHE  36  -0.841   1.344 -11.859
  242    HA   PHE  36           HA       PHE  36  -0.217   2.175  -9.317
  243   1HB   PHE  36          2HB       PHE  36  -0.269   3.692 -11.918
  244   2HB   PHE  36          1HB       PHE  36   0.245   4.482 -10.439
  245    HD1  PHE  36           HD1      PHE  36   0.850   1.386 -12.455
  246    HD2  PHE  36           HD2      PHE  36   2.450   4.271  -9.725
  247    HE1  PHE  36           HE1      PHE  36   3.091   0.348 -12.673
  248    HE2  PHE  36           HE2      PHE  36   4.693   3.237  -9.930
  249    HZ   PHE  36           HZ       PHE  36   5.013   1.272 -11.409
  250    H    VAL  37           H        VAL  37  -1.959   2.399  -7.868
  251    HA   VAL  37           HA       VAL  37  -4.032   4.435  -8.529
  252    HB   VAL  37           HB       VAL  37  -4.922   3.356  -6.207
  253   1HG1  VAL  37          1HG1      VAL  37  -6.461   2.090  -7.571
  254   2HG1  VAL  37          2HG1      VAL  37  -5.318   2.047  -8.914
  255   3HG1  VAL  37          3HG1      VAL  37  -6.072   3.570  -8.446
  256   1HG2  VAL  37          1HG2      VAL  37  -3.970   0.887  -7.585
  257   2HG2  VAL  37          2HG2      VAL  37  -4.303   1.163  -5.877
  258   3HG2  VAL  37          3HG2      VAL  37  -2.802   1.744  -6.587
  259    H    CYS  38           H        CYS  38  -4.740   5.845  -6.764
  260    HA   CYS  38           HA       CYS  38  -2.423   7.003  -5.351
  261   1HB   CYS  38          2HB       CYS  38  -4.173   8.353  -6.616
  262   2HB   CYS  38          1HB       CYS  38  -5.304   7.937  -5.334
  263    H    ALA  39           H        ALA  39  -1.997   6.453  -3.262
  264    HA   ALA  39           HA       ALA  39  -3.528   4.632  -1.729
  265   1HB   ALA  39          1HB       ALA  39  -1.469   4.773  -0.758
  266   2HB   ALA  39          2HB       ALA  39  -2.208   6.053   0.203
  267   3HB   ALA  39          3HB       ALA  39  -1.259   6.460  -1.225
  268    H    GLN  40           H        GLN  40  -4.332   7.789  -2.534
  269    HA   GLN  40           HA       GLN  40  -6.046   8.097  -0.103
  270   1HB   GLN  40          2HB       GLN  40  -5.140  10.222  -2.068
  271   2HB   GLN  40          1HB       GLN  40  -6.071  10.496  -0.594
  272   1HG   GLN  40          2HG       GLN  40  -4.165   9.460   0.701
  273   2HG   GLN  40          1HG       GLN  40  -3.233   9.448  -0.796
  274   1HE2  GLN  40          1HE2      GLN  40  -1.890  11.238  -0.960
  275   2HE2  GLN  40          2HE2      GLN  40  -2.232  12.780  -0.338
  276    H    CYS  41           H        CYS  41  -6.157   9.129  -3.553
  277    HA   CYS  41           HA       CYS  41  -9.089   8.873  -3.520
  278   1HB   CYS  41          2HB       CYS  41  -9.037   9.822  -5.725
  279   2HB   CYS  41          1HB       CYS  41  -7.848  10.699  -4.766
  280    H    PHE  42           H        PHE  42  -6.499   6.789  -4.070
  281    HA   PHE  42           HA       PHE  42  -6.333   4.649  -5.000
  282   1HB   PHE  42          2HB       PHE  42  -9.200   4.905  -4.196
  283   2HB   PHE  42          1HB       PHE  42  -8.738   3.526  -5.193
  284    HD1  PHE  42           HD1      PHE  42  -8.334   1.602  -3.952
  285    HD2  PHE  42           HD2      PHE  42  -7.152   5.409  -2.349
  286    HE1  PHE  42           HE1      PHE  42  -7.386   0.470  -1.960
  287    HE2  PHE  42           HE2      PHE  42  -6.207   4.276  -0.357
  288    HZ   PHE  42           HZ       PHE  42  -6.323   1.807  -0.162
  289    H    GLN  43           H        GLN  43  -6.951   7.078  -6.764
  290    HA   GLN  43           HA       GLN  43  -8.403   5.910  -9.030
  291   1HB   GLN  43          2HB       GLN  43  -8.414   8.378  -8.511
  292   2HB   GLN  43          1HB       GLN  43  -6.705   8.426  -8.946
  293   1HG   GLN  43          2HG       GLN  43  -7.136   7.924 -11.207
  294   2HG   GLN  43          1HG       GLN  43  -8.743   7.286 -10.853
  295   1HE2  GLN  43          1HE2      GLN  43 -10.370   8.976 -10.014
  296   2HE2  GLN  43          2HE2      GLN  43 -10.248  10.554 -10.631
  297    H    GLN  44           H        GLN  44  -7.434   4.610 -10.534
  298    HA   GLN  44           HA       GLN  44  -4.609   4.021 -10.350
  299   1HB   GLN  44          2HB       GLN  44  -5.178   2.774 -12.578
  300   2HB   GLN  44          1HB       GLN  44  -5.827   2.174 -11.060
  301   1HG   GLN  44          2HG       GLN  44  -7.980   2.962 -11.516
  302   2HG   GLN  44          1HG       GLN  44  -7.399   4.186 -12.646
  303   1HE2  GLN  44          1HE2      GLN  44  -6.686   0.656 -12.532
  304   2HE2  GLN  44          2HE2      GLN  44  -7.257   0.340 -14.098
  305    H    PHE  45           H        PHE  45  -3.256   4.067 -12.434
  306    HA   PHE  45           HA       PHE  45  -3.868   6.321 -14.230
  307   1HB   PHE  45          2HB       PHE  45  -2.397   6.820 -11.923
  308   2HB   PHE  45          1HB       PHE  45  -1.159   6.604 -13.158
  309    HD1  PHE  45           HD1      PHE  45  -3.347   8.938 -11.682
  310    HD2  PHE  45           HD2      PHE  45  -1.710   7.794 -15.484
  311    HE1  PHE  45           HE1      PHE  45  -3.835  11.200 -12.574
  312    HE2  PHE  45           HE2      PHE  45  -2.197  10.055 -16.376
  313    HZ   PHE  45           HZ       PHE  45  -3.261  11.759 -14.921
  314    HA   PRO  46           HA       PRO  46  -1.867   3.226 -16.771
  315   1HB   PRO  46          2HB       PRO  46  -2.015   5.006 -19.002
  316   2HB   PRO  46          1HB       PRO  46  -3.054   3.620 -18.660
  317   1HG   PRO  46          2HG       PRO  46  -3.731   6.424 -18.474
  318   2HG   PRO  46          1HG       PRO  46  -4.774   5.030 -18.163
  319   1HD   PRO  46          2HD       PRO  46  -3.630   6.841 -16.236
  320   2HD   PRO  46          1HD       PRO  46  -4.670   5.435 -15.927
  321    H    GLU  47           H        GLU  47  -0.767   6.196 -15.720
  322    HA   GLU  47           HA       GLU  47   1.424   6.870 -17.351
  323   1HB   GLU  47          2HB       GLU  47   0.695   7.238 -14.502
  324   2HB   GLU  47          1HB       GLU  47   2.420   7.350 -14.851
  325   1HG   GLU  47          2HG       GLU  47   1.992   9.050 -16.564
  326   2HG   GLU  47          1HG       GLU  47   0.255   8.910 -16.295
  327    H    GLY  48           H        GLY  48   1.029   4.214 -15.097
  328   1HA   GLY  48          2HA       GLY  48   2.342   2.272 -14.852
  329   2HA   GLY  48          1HA       GLY  48   3.366   2.855 -16.166
  330    H    LEU  49           H        LEU  49   3.235   5.422 -14.189
  331    HA   LEU  49           HA       LEU  49   4.862   4.726 -11.947
  332   1HB   LEU  49          2HB       LEU  49   6.419   4.308 -14.004
  333   2HB   LEU  49          1HB       LEU  49   6.494   6.065 -14.103
  334    HG   LEU  49           HG       LEU  49   6.977   4.730 -11.455
  335   1HD1  LEU  49          1HD1      LEU  49   9.388   4.584 -12.011
  336   2HD1  LEU  49          2HD1      LEU  49   9.022   5.039 -13.675
  337   3HD1  LEU  49          3HD1      LEU  49   8.422   3.513 -13.025
  338   1HD2  LEU  49          1HD2      LEU  49   8.563   6.715 -11.298
  339   2HD2  LEU  49          2HD2      LEU  49   6.857   7.139 -11.431
  340   3HD2  LEU  49          3HD2      LEU  49   7.909   7.262 -12.841
  341    H    PHE  50           H        PHE  50   3.535   6.276 -10.907
  342    HA   PHE  50           HA       PHE  50   3.870   9.089 -11.854
  343   1HB   PHE  50          2HB       PHE  50   1.829   9.573 -10.463
  344   2HB   PHE  50          1HB       PHE  50   1.537   8.511 -11.831
  345    HD1  PHE  50           HD1      PHE  50   3.310   6.958  -9.027
  346    HD2  PHE  50           HD2      PHE  50  -0.577   7.892 -10.610
  347    HE1  PHE  50           HE1      PHE  50   2.282   5.315  -7.492
  348    HE2  PHE  50           HE2      PHE  50  -1.592   6.236  -9.074
  349    HZ   PHE  50           HZ       PHE  50  -0.159   4.950  -7.518
  350    H    TYR  51           H        TYR  51   2.652   9.277  -8.800
  351    HA   TYR  51           HA       TYR  51   5.370   9.729  -7.691
  352   1HB   TYR  51          2HB       TYR  51   2.772  10.986  -7.333
  353   2HB   TYR  51          1HB       TYR  51   3.469  10.517  -5.783
  354    HD1  TYR  51           HD1      TYR  51   5.918  11.153  -5.321
  355    HD2  TYR  51           HD2      TYR  51   3.574  12.893  -8.471
  356    HE1  TYR  51           HE1      TYR  51   7.494  13.063  -5.437
  357    HE2  TYR  51           HE2      TYR  51   5.149  14.806  -8.587
  358    HH   TYR  51           HH       TYR  51   7.216  15.525  -7.950
  359    H    GLU  52           H        GLU  52   5.032   7.123  -7.948
  360    HA   GLU  52           HA       GLU  52   3.706   5.866  -5.687
  361   1HB   GLU  52          2HB       GLU  52   4.610   3.789  -6.547
  362   2HB   GLU  52          1HB       GLU  52   4.058   4.749  -7.916
  363   1HG   GLU  52          2HG       GLU  52   6.933   4.726  -6.958
  364   2HG   GLU  52          1HG       GLU  52   6.324   3.684  -8.239
  365    H    PHE  53           H        PHE  53   4.738   4.851  -3.889
  366    HA   PHE  53           HA       PHE  53   7.624   5.406  -3.468
  367   1HB   PHE  53          2HB       PHE  53   5.402   6.787  -2.115
  368   2HB   PHE  53          1HB       PHE  53   6.565   6.067  -1.002
  369    HD1  PHE  53           HD1      PHE  53   8.892   6.802  -0.948
  370    HD2  PHE  53           HD2      PHE  53   6.077   8.550  -3.685
  371    HE1  PHE  53           HE1      PHE  53  10.480   8.653  -1.401
  372    HE2  PHE  53           HE2      PHE  53   7.666  10.400  -4.135
  373    HZ   PHE  53           HZ       PHE  53   9.866  10.451  -2.994
  374    H    GLU  54           H        GLU  54   8.246   4.388  -1.216
  375    HA   GLU  54           HA       GLU  54   7.482   1.603  -1.312
  376   1HB   GLU  54          2HB       GLU  54   8.810   1.546   0.905
  377   2HB   GLU  54          1HB       GLU  54   9.685   1.988  -0.560
  378   1HG   GLU  54          2HG       GLU  54   8.440   4.300   0.742
  379   2HG   GLU  54          1HG       GLU  54   9.594   3.472   1.783
  380    H    GLY  55           H        GLY  55   5.679   0.738  -0.434
  381   1HA   GLY  55          2HA       GLY  55   3.892   0.387   1.051
  382   2HA   GLY  55          1HA       GLY  55   4.761   1.383   2.221
  383    H    ARG  56           H        ARG  56   4.519   3.116  -0.608
  384    HA   ARG  56           HA       ARG  56   1.887   4.317   0.127
  385   1HB   ARG  56          2HB       ARG  56   4.434   5.857  -0.463
  386   2HB   ARG  56          1HB       ARG  56   2.848   6.568  -0.166
  387   1HG   ARG  56          2HG       ARG  56   2.855   5.419   2.088
  388   2HG   ARG  56          1HG       ARG  56   4.536   4.977   1.784
  389   1HD   ARG  56          2HD       ARG  56   3.390   7.777   1.960
  390   2HD   ARG  56          1HD       ARG  56   4.532   7.024   3.074
  391    HE   ARG  56           HE       ARG  56   5.842   6.914   0.644
  392   1HH1  ARG  56          1HH2      ARG  56   4.284   9.371   2.503
  393   2HH1  ARG  56          2HH2      ARG  56   5.319  10.637   1.934
  394   1HH2  ARG  56          2HH1      ARG  56   7.194   8.556  -0.102
  395   2HH2  ARG  56          1HH1      ARG  56   6.963  10.176   0.463
  396    H    LYS  57           H        LYS  57   1.310   5.987  -1.708
  397    HA   LYS  57           HA       LYS  57   2.385   5.601  -4.342
  398   1HB   LYS  57          2HB       LYS  57   0.383   4.359  -5.274
  399   2HB   LYS  57          1HB       LYS  57   1.430   3.383  -4.244
  400   1HG   LYS  57          2HG       LYS  57  -0.176   4.202  -2.323
  401   2HG   LYS  57          1HG       LYS  57  -1.296   4.498  -3.652
  402   1HD   LYS  57          2HD       LYS  57   0.107   1.874  -3.636
  403   2HD   LYS  57          1HD       LYS  57  -1.135   2.120  -2.408
  404   1HE   LYS  57          2HE       LYS  57  -2.427   3.099  -4.591
  405   2HE   LYS  57          1HE       LYS  57  -1.402   1.877  -5.348
  406   1HZ   LYS  57          1HZ       LYS  57  -2.559   0.889  -2.952
  407   2HZ   LYS  57          2HZ       LYS  57  -2.667   0.270  -4.531
  408   3HZ   LYS  57          3HZ       LYS  57  -3.765   1.453  -4.002
  409    H    TYR  58           H        TYR  58   1.790   7.445  -5.413
  410    HA   TYR  58           HA       TYR  58  -0.927   8.555  -4.952
  411   1HB   TYR  58          2HB       TYR  58   1.528  10.306  -4.751
  412   2HB   TYR  58          1HB       TYR  58  -0.139  10.753  -4.398
  413    HD1  TYR  58           HD1      TYR  58   2.930   9.495  -3.066
  414    HD2  TYR  58           HD2      TYR  58  -1.328   9.457  -2.486
  415    HE1  TYR  58           HE1      TYR  58   3.266   8.826  -0.711
  416    HE2  TYR  58           HE2      TYR  58  -0.994   8.774  -0.121
  417    HH   TYR  58           HH       TYR  58   1.098   7.452   1.132
  418    H    CYS  59           H        CYS  59  -1.699   9.720  -6.695
  419    HA   CYS  59           HA       CYS  59  -0.073   9.570  -9.170
  420   1HB   CYS  59          2HB       CYS  59  -2.302  10.466 -10.163
  421   2HB   CYS  59          1HB       CYS  59  -2.284   8.803  -9.573
  422    H    GLU  60           H        GLU  60  -0.593  11.718 -10.597
  423    HA   GLU  60           HA       GLU  60   0.667  13.883  -9.140
  424   1HB   GLU  60          2HB       GLU  60   0.639  13.326 -11.730
  425   2HB   GLU  60          1HB       GLU  60  -0.809  14.332 -11.722
  426   1HG   GLU  60          2HG       GLU  60   0.716  16.018 -12.013
  427   2HG   GLU  60          1HG       GLU  60   0.836  15.906 -10.258
  428    H    HIS  61           H        HIS  61  -2.221  12.744  -8.522
  429    HA   HIS  61           HA       HIS  61  -3.815  15.205  -8.739
  430   1HB   HIS  61          2HB       HIS  61  -5.398  13.586  -8.901
  431   2HB   HIS  61          1HB       HIS  61  -4.324  12.366  -8.233
  432    HD2  HIS  61           HD2      HIS  61  -6.286  15.424  -6.568
  433    HE1  HIS  61           HE1      HIS  61  -6.548  12.059  -4.035
  434    HE2  HIS  61           HE2      HIS  61  -7.213  14.490  -4.316
  435    H    ASP  62           H        ASP  62  -3.280  13.093  -5.887
  436    HA   ASP  62           HA       ASP  62  -3.719  15.221  -4.028
  437   1HB   ASP  62          2HB       ASP  62  -3.028  12.424  -3.914
  438   2HB   ASP  62          1HB       ASP  62  -1.964  13.331  -2.841
  439    H    PHE  63           H        PHE  63  -0.889  14.080  -5.721
  440    HA   PHE  63           HA       PHE  63   0.984  15.582  -4.102
  441   1HB   PHE  63          2HB       PHE  63   1.080  13.753  -6.403
  442   2HB   PHE  63          1HB       PHE  63   2.376  14.939  -6.320
  443    HD1  PHE  63           HD1      PHE  63   0.372  12.978  -3.834
  444    HD2  PHE  63           HD2      PHE  63   4.256  14.161  -5.191
  445    HE1  PHE  63           HE1      PHE  63   1.399  11.730  -1.959
  446    HE2  PHE  63           HE2      PHE  63   5.288  12.888  -3.330
  447    HZ   PHE  63           HZ       PHE  63   3.863  11.681  -1.708
  448    H    GLN  64           H        GLN  64  -0.647  16.214  -7.257
  449    HA   GLN  64           HA       GLN  64   0.951  18.606  -7.705
  450   1HB   GLN  64          2HB       GLN  64  -0.577  19.170  -9.453
  451   2HB   GLN  64          1HB       GLN  64  -0.433  17.418  -9.496
  452   1HG   GLN  64          2HG       GLN  64  -2.519  17.229  -8.167
  453   2HG   GLN  64          1HG       GLN  64  -2.666  18.982  -8.161
  454   1HE2  GLN  64          1HE2      GLN  64  -2.120  19.719 -10.755
  455   2HE2  GLN  64          2HE2      GLN  64  -3.198  18.976 -11.835
  456    H    MET  65           H        MET  65  -1.759  17.786  -5.755
  457    HA   MET  65           HA       MET  65  -2.820  20.429  -5.314
  458   1HB   MET  65          2HB       MET  65  -3.134  17.740  -4.128
  459   2HB   MET  65          1HB       MET  65  -3.321  19.056  -2.970
  460   1HG   MET  65          2HG       MET  65  -5.488  18.520  -3.982
  461   2HG   MET  65          1HG       MET  65  -4.971  20.129  -4.486
  462   1HE   MET  65          1HE       MET  65  -6.903  17.529  -5.600
  463   2HE   MET  65          2HE       MET  65  -6.908  17.882  -7.325
  464   3HE   MET  65          3HE       MET  65  -7.162  19.185  -6.166
  465    H    LEU  66           H        LEU  66  -0.363  18.419  -3.718
  466    HA   LEU  66           HA       LEU  66   0.285  20.326  -1.641
  467   1HB   LEU  66          2HB       LEU  66   2.360  18.494  -2.832
  468   2HB   LEU  66          1HB       LEU  66   2.117  18.940  -1.145
  469    HG   LEU  66           HG       LEU  66   0.378  17.097  -2.801
  470   1HD1  LEU  66          1HD1      LEU  66   2.521  16.150  -1.953
  471   2HD1  LEU  66          2HD1      LEU  66   1.110  15.387  -1.219
  472   3HD1  LEU  66          3HD1      LEU  66   2.036  16.584  -0.314
  473   1HD2  LEU  66          1HD2      LEU  66   0.025  18.271  -0.034
  474   2HD2  LEU  66          2HD2      LEU  66  -0.757  16.762  -0.506
  475   3HD2  LEU  66          3HD2      LEU  66  -1.131  18.255  -1.365
  476    H    PHE  67           H        PHE  67   1.025  19.959  -4.994
  477    HA   PHE  67           HA       PHE  67   2.139  21.305  -6.517
  478   1HB   PHE  67          2HB       PHE  67   0.803  23.051  -5.027
  479   2HB   PHE  67          1HB       PHE  67   2.421  23.500  -4.491
  480    HD1  PHE  67           HD1      PHE  67  -0.040  23.914  -7.042
  481    HD2  PHE  67           HD2      PHE  67   4.202  23.905  -6.360
  482    HE1  PHE  67           HE1      PHE  67   0.300  25.196  -9.137
  483    HE2  PHE  67           HE2      PHE  67   4.541  25.187  -8.455
  484    HZ   PHE  67           HZ       PHE  67   2.590  25.832  -9.843
  485    H    ALA  68           H        ALA  68   4.015  19.936  -6.421
  486    HA   ALA  68           HA       ALA  68   6.108  20.249  -4.485
  487   1HB   ALA  68          1HB       ALA  68   7.465  18.922  -6.023
  488   2HB   ALA  68          2HB       ALA  68   6.326  19.229  -7.334
  489   3HB   ALA  68          3HB       ALA  68   5.837  18.248  -5.952
  490    HA   PRO  69           HA       PRO  69   7.583  24.193  -5.954
  491   1HB   PRO  69          2HB       PRO  69   9.981  23.876  -4.409
  492   2HB   PRO  69          1HB       PRO  69   8.564  24.860  -4.018
  493   1HG   PRO  69          2HG       PRO  69   9.391  22.383  -2.781
  494   2HG   PRO  69          1HG       PRO  69   7.993  23.388  -2.376
  495   1HD   PRO  69          2HD       PRO  69   8.001  20.837  -3.716
  496   2HD   PRO  69          1HD       PRO  69   6.601  21.854  -3.316
  497    H    CYS  70           H        CYS  70   8.989  21.114  -6.358
  498    HA   CYS  70           HA       CYS  70  10.451  22.001  -8.733
  499   1HB   CYS  70          2HB       CYS  70  12.597  20.873  -7.883
  500   2HB   CYS  70          1HB       CYS  70  12.217  22.452  -7.195
  501    HG   CYS  70           HG       CYS  70  11.004  20.828  -5.233
  Start of MODEL   12
    1    H    MET   1           1H       MET   1   6.609 -25.442   5.095
    2    HA   MET   1           HA       MET   1   4.001 -25.155   5.138
    3   1HB   MET   1          2HB       MET   1   4.403 -22.767   5.654
    4   2HB   MET   1          1HB       MET   1   5.628 -23.794   6.396
    5   1HG   MET   1          2HG       MET   1   7.138 -23.328   4.460
    6   2HG   MET   1          1HG       MET   1   5.926 -22.218   3.821
    7   1HE   MET   1          1HE       MET   1   8.816 -21.304   4.257
    8   2HE   MET   1          2HE       MET   1   8.582 -19.737   5.026
    9   3HE   MET   1          3HE       MET   1   7.505 -20.242   3.727
   10    H    ALA   2           H        ALA   2   2.433 -23.685   4.124
   11    HA   ALA   2           HA       ALA   2   2.439 -23.866   1.251
   12   1HB   ALA   2          1HB       ALA   2   0.386 -22.492   1.386
   13   2HB   ALA   2          2HB       ALA   2   0.725 -22.156   3.084
   14   3HB   ALA   2          3HB       ALA   2   0.352 -23.801   2.567
   15    H    ASN   3           H        ASN   3   3.503 -21.421   3.516
   16    HA   ASN   3           HA       ASN   3   3.604 -19.230   1.629
   17   1HB   ASN   3          2HB       ASN   3   5.265 -19.603   4.140
   18   2HB   ASN   3          1HB       ASN   3   4.898 -18.081   3.326
   19   1HD2  ASN   3          1HD2      ASN   3   2.796 -17.139   3.664
   20   2HD2  ASN   3          2HD2      ASN   3   1.685 -17.770   4.783
   21    H    ALA   4           H        ALA   4   5.386 -22.074   1.839
   22    HA   ALA   4           HA       ALA   4   8.028 -21.153   1.193
   23   1HB   ALA   4          1HB       ALA   4   8.439 -23.457   0.469
   24   2HB   ALA   4          2HB       ALA   4   6.705 -23.776   0.432
   25   3HB   ALA   4          3HB       ALA   4   7.512 -23.464   1.968
   26    H    LEU   5           H        LEU   5   5.129 -21.616  -0.712
   27    HA   LEU   5           HA       LEU   5   6.621 -20.623  -3.103
   28   1HB   LEU   5          2HB       LEU   5   4.555 -22.845  -3.034
   29   2HB   LEU   5          1HB       LEU   5   5.173 -22.108  -4.511
   30    HG   LEU   5           HG       LEU   5   6.985 -23.366  -2.437
   31   1HD1  LEU   5          1HD1      LEU   5   5.434 -25.079  -3.291
   32   2HD1  LEU   5          2HD1      LEU   5   7.059 -25.340  -3.926
   33   3HD1  LEU   5          3HD1      LEU   5   5.820 -24.611  -4.948
   34   1HD2  LEU   5          1HD2      LEU   5   7.288 -22.411  -5.292
   35   2HD2  LEU   5          2HD2      LEU   5   8.446 -23.518  -4.554
   36   3HD2  LEU   5          3HD2      LEU   5   8.207 -21.910  -3.872
   37    H    ALA   6           H        ALA   6   5.489 -19.108  -4.328
   38    HA   ALA   6           HA       ALA   6   2.628 -18.655  -3.939
   39   1HB   ALA   6          1HB       ALA   6   3.440 -17.518  -1.946
   40   2HB   ALA   6          2HB       ALA   6   2.938 -16.302  -3.121
   41   3HB   ALA   6          3HB       ALA   6   4.652 -16.652  -2.889
   42    H    SER   7           H        SER   7   1.781 -17.450  -5.656
   43    HA   SER   7           HA       SER   7   3.617 -16.967  -7.906
   44   1HB   SER   7          2HB       SER   7   1.598 -16.589  -9.209
   45   2HB   SER   7          1HB       SER   7   1.369 -18.030  -8.222
   46    HG   SER   7           HG       SER   7   0.620 -15.984  -6.755
   47    H    ALA   8           H        ALA   8   3.596 -14.874  -9.062
   48    HA   ALA   8           HA       ALA   8   3.648 -12.627  -7.152
   49   1HB   ALA   8          1HB       ALA   8   5.454 -13.069  -8.900
   50   2HB   ALA   8          2HB       ALA   8   4.818 -11.424  -8.861
   51   3HB   ALA   8          3HB       ALA   8   4.283 -12.547 -10.112
   52    H    THR   9           H        THR   9   1.861 -11.399  -6.864
   53    HA   THR   9           HA       THR   9   0.030 -10.997  -9.197
   54    HB   THR   9           HB       THR   9  -1.829 -10.869  -7.460
   55    HG1  THR   9           HG1      THR   9  -0.018 -12.276  -5.826
   56   1HG2  THR   9          1HG2      THR   9  -0.293 -13.427  -7.945
   57   2HG2  THR   9          2HG2      THR   9  -1.724 -12.842  -8.793
   58   3HG2  THR   9          3HG2      THR   9  -1.855 -13.403  -7.127
   59    H    CYS  10           H        CYS  10  -1.139  -8.938  -9.132
   60    HA   CYS  10           HA       CYS  10   0.533  -6.721  -8.438
   61   1HB   CYS  10          2HB       CYS  10  -1.291  -6.805 -10.213
   62   2HB   CYS  10          1HB       CYS  10  -2.434  -6.578  -8.900
   63    H    GLU  11           H        GLU  11  -0.218  -4.895  -7.037
   64    HA   GLU  11           HA       GLU  11  -0.839  -5.969  -4.365
   65   1HB   GLU  11          2HB       GLU  11   1.035  -4.386  -4.716
   66   2HB   GLU  11          1HB       GLU  11  -0.110  -3.172  -5.286
   67   1HG   GLU  11          2HG       GLU  11  -0.395  -4.474  -2.566
   68   2HG   GLU  11          1HG       GLU  11   0.624  -3.057  -2.801
   69    H    ARG  12           H        ARG  12  -1.943  -3.066  -6.129
   70    HA   ARG  12           HA       ARG  12  -4.371  -2.875  -4.576
   71   1HB   ARG  12          2HB       ARG  12  -4.940  -1.043  -6.127
   72   2HB   ARG  12          1HB       ARG  12  -3.290  -0.897  -5.538
   73   1HG   ARG  12          2HG       ARG  12  -3.739  -2.420  -8.073
   74   2HG   ARG  12          1HG       ARG  12  -3.855  -0.666  -8.134
   75   1HD   ARG  12          2HD       ARG  12  -1.478  -2.399  -7.597
   76   2HD   ARG  12          1HD       ARG  12  -1.590  -0.906  -8.530
   77    HE   ARG  12           HE       ARG  12  -1.993   0.013  -6.001
   78   1HH1  ARG  12          1HH2      ARG  12   0.305  -2.134  -7.424
   79   2HH1  ARG  12          2HH2      ARG  12   1.590  -1.662  -6.366
   80   1HH2  ARG  12          2HH1      ARG  12  -0.327   0.631  -4.621
   81   2HH2  ARG  12          1HH1      ARG  12   1.233  -0.102  -4.781
   82    H    CYS  13           H        CYS  13  -3.617  -5.011  -7.045
   83    HA   CYS  13           HA       CYS  13  -6.521  -5.364  -7.610
   84   1HB   CYS  13          2HB       CYS  13  -6.333  -5.113  -9.858
   85   2HB   CYS  13          1HB       CYS  13  -4.889  -4.192  -9.453
   86    H    LYS  14           H        LYS  14  -3.377  -6.764  -7.114
   87    HA   LYS  14           HA       LYS  14  -2.718  -8.991  -6.803
   88   1HB   LYS  14          2HB       LYS  14  -5.664  -9.588  -6.455
   89   2HB   LYS  14          1HB       LYS  14  -4.298 -10.455  -5.757
   90   1HG   LYS  14          2HG       LYS  14  -4.885  -7.547  -5.138
   91   2HG   LYS  14          1HG       LYS  14  -5.511  -8.879  -4.168
   92   1HD   LYS  14          2HD       LYS  14  -2.858  -9.549  -4.343
   93   2HD   LYS  14          1HD       LYS  14  -2.771  -7.789  -4.318
   94   1HE   LYS  14          2HE       LYS  14  -4.372  -9.407  -2.320
   95   2HE   LYS  14          1HE       LYS  14  -2.719  -8.862  -2.033
   96   1HZ   LYS  14          1HZ       LYS  14  -3.626  -6.987  -1.300
   97   2HZ   LYS  14          2HZ       LYS  14  -5.164  -7.387  -1.904
   98   3HZ   LYS  14          3HZ       LYS  14  -4.022  -6.631  -2.911
   99    H    GLY  15           H        GLY  15  -3.048  -8.200  -9.482
  100   1HA   GLY  15          2HA       GLY  15  -4.446 -10.463 -10.801
  101   2HA   GLY  15          1HA       GLY  15  -3.770  -9.056 -11.623
  102    H    GLY  16           H        GLY  16  -3.300 -12.275 -11.244
  103   1HA   GLY  16          2HA       GLY  16  -0.555 -12.622 -10.685
  104   2HA   GLY  16          1HA       GLY  16  -1.492 -13.688 -11.729
  105    H    PHE  17           H        PHE  17   0.915 -11.249 -11.634
  106    HA   PHE  17           HA       PHE  17   0.881 -11.080 -14.619
  107   1HB   PHE  17          2HB       PHE  17   2.421  -9.030 -14.162
  108   2HB   PHE  17          1HB       PHE  17   0.691  -8.858 -13.925
  109    HD1  PHE  17           HD1      PHE  17   1.030  -6.940 -12.411
  110    HD2  PHE  17           HD2      PHE  17   2.672 -10.806 -11.494
  111    HE1  PHE  17           HE1      PHE  17   1.454  -6.211 -10.088
  112    HE2  PHE  17           HE2      PHE  17   3.090 -10.069  -9.175
  113    HZ   PHE  17           HZ       PHE  17   2.479  -7.781  -8.475
  114    H    ALA  18           H        ALA  18   3.413 -10.362 -15.209
  115    HA   ALA  18           HA       ALA  18   5.463 -11.723 -13.742
  116   1HB   ALA  18          1HB       ALA  18   3.842 -13.376 -15.503
  117   2HB   ALA  18          2HB       ALA  18   5.093 -13.858 -14.357
  118   3HB   ALA  18          3HB       ALA  18   5.536 -13.386 -15.998
  119    HA   PRO  19           HA       PRO  19   7.099 -10.589 -18.187
  120   1HB   PRO  19          2HB       PRO  19   4.999  -9.069 -19.470
  121   2HB   PRO  19          1HB       PRO  19   5.780 -10.554 -20.033
  122   1HG   PRO  19          2HG       PRO  19   3.121 -10.277 -18.984
  123   2HG   PRO  19          1HG       PRO  19   3.930 -11.766 -19.489
  124   1HD   PRO  19          2HD       PRO  19   3.306 -10.914 -16.807
  125   2HD   PRO  19          1HD       PRO  19   4.106 -12.412 -17.318
  126    H    ALA  20           H        ALA  20   8.155  -8.570 -18.546
  127    HA   ALA  20           HA       ALA  20   8.067  -6.646 -16.475
  128   1HB   ALA  20          1HB       ALA  20   9.994  -6.910 -17.987
  129   2HB   ALA  20          2HB       ALA  20   9.439  -5.236 -17.975
  130   3HB   ALA  20          3HB       ALA  20   9.034  -6.290 -19.330
  131    H    GLU  21           H        GLU  21   5.988  -7.006 -19.208
  132    HA   GLU  21           HA       GLU  21   5.113  -4.212 -19.267
  133   1HB   GLU  21          2HB       GLU  21   4.983  -5.549 -21.316
  134   2HB   GLU  21          1HB       GLU  21   3.945  -6.725 -20.511
  135   1HG   GLU  21          2HG       GLU  21   2.597  -5.190 -21.880
  136   2HG   GLU  21          1HG       GLU  21   2.229  -4.967 -20.170
  137    H    LYS  22           H        LYS  22   3.933  -7.293 -17.961
  138    HA   LYS  22           HA       LYS  22   1.604  -5.940 -16.753
  139   1HB   LYS  22          2HB       LYS  22   2.432  -8.830 -16.405
  140   2HB   LYS  22          1HB       LYS  22   0.832  -8.132 -16.162
  141   1HG   LYS  22          2HG       LYS  22   2.256  -8.170 -18.839
  142   2HG   LYS  22          1HG       LYS  22   1.092  -9.393 -18.334
  143   1HD   LYS  22          2HD       LYS  22  -0.696  -7.836 -18.275
  144   2HD   LYS  22          1HD       LYS  22   0.398  -6.453 -18.300
  145   1HE   LYS  22          2HE       LYS  22  -0.548  -6.677 -20.513
  146   2HE   LYS  22          1HE       LYS  22   1.141  -7.178 -20.598
  147   1HZ   LYS  22          1HZ       LYS  22   0.384  -9.491 -20.331
  148   2HZ   LYS  22          2HZ       LYS  22  -0.217  -8.765 -21.745
  149   3HZ   LYS  22          3HZ       LYS  22  -1.226  -8.960 -20.392
  150    H    ILE  23           H        ILE  23   4.714  -7.296 -15.836
  151    HA   ILE  23           HA       ILE  23   4.139  -6.848 -12.967
  152    HB   ILE  23           HB       ILE  23   5.954  -8.525 -14.496
  153   1HG1  ILE  23          2HG1      ILE  23   4.343  -9.254 -12.742
  154   2HG1  ILE  23          1HG1      ILE  23   5.984  -9.805 -12.421
  155   1HG2  ILE  23          1HG2      ILE  23   7.735  -7.002 -13.997
  156   2HG2  ILE  23          2HG2      ILE  23   7.869  -8.322 -12.837
  157   3HG2  ILE  23          3HG2      ILE  23   7.171  -6.781 -12.339
  158   1HD1  ILE  23          1HD1      ILE  23   4.455  -7.581 -11.071
  159   2HD1  ILE  23          2HD1      ILE  23   6.215  -7.648 -11.000
  160   3HD1  ILE  23          3HD1      ILE  23   5.255  -8.968 -10.336
  161    H    VAL  24           H        VAL  24   4.668  -4.968 -12.007
  162    HA   VAL  24           HA       VAL  24   6.976  -3.391 -13.010
  163    HB   VAL  24           HB       VAL  24   4.392  -1.969 -12.383
  164   1HG1  VAL  24          1HG1      VAL  24   6.753  -1.288 -14.163
  165   2HG1  VAL  24          2HG1      VAL  24   6.538  -0.720 -12.508
  166   3HG1  VAL  24          3HG1      VAL  24   5.407  -0.221 -13.766
  167   1HG2  VAL  24          1HG2      VAL  24   5.236  -3.076 -15.085
  168   2HG2  VAL  24          2HG2      VAL  24   3.937  -1.910 -14.844
  169   3HG2  VAL  24          3HG2      VAL  24   3.799  -3.534 -14.172
  170    H    ASN  25           H        ASN  25   8.200  -3.170 -11.182
  171    HA   ASN  25           HA       ASN  25   6.774  -2.946  -8.573
  172   1HB   ASN  25          2HB       ASN  25   8.315  -4.704  -8.406
  173   2HB   ASN  25          1HB       ASN  25   9.540  -3.853  -9.347
  174   1HD2  ASN  25          1HD2      ASN  25  10.772  -2.141  -8.248
  175   2HD2  ASN  25          2HD2      ASN  25  10.796  -2.033  -6.554
  176    H    SER  26           H        SER  26   7.183  -1.214  -7.202
  177    HA   SER  26           HA       SER  26   9.121   0.861  -7.976
  178   1HB   SER  26          2HB       SER  26   7.612   2.543  -8.513
  179   2HB   SER  26          1HB       SER  26   6.752   1.147  -9.155
  180    HG   SER  26           HG       SER  26   6.091   1.261  -6.643
  181    H    ASN  27           H        ASN  27   9.948   1.735  -6.126
  182    HA   ASN  27           HA       ASN  27  10.164   2.333  -3.871
  183   1HB   ASN  27          2HB       ASN  27   8.327   3.217  -2.886
  184   2HB   ASN  27          1HB       ASN  27   7.491   2.821  -4.382
  185   1HD2  ASN  27          1HD2      ASN  27   8.484   1.034  -1.378
  186   2HD2  ASN  27          2HD2      ASN  27   7.003   0.222  -1.210
  187    H    GLY  28           H        GLY  28   8.344  -0.555  -4.651
  188   1HA   GLY  28          2HA       GLY  28   9.851  -2.545  -3.659
  189   2HA   GLY  28          1HA       GLY  28   9.160  -1.912  -2.162
  190    H    GLU  29           H        GLU  29   6.705  -1.100  -3.750
  191    HA   GLU  29           HA       GLU  29   5.226  -3.600  -3.351
  192   1HB   GLU  29          2HB       GLU  29   4.618  -0.766  -3.623
  193   2HB   GLU  29          1HB       GLU  29   3.548  -1.741  -4.631
  194   1HG   GLU  29          2HG       GLU  29   2.778  -3.008  -2.769
  195   2HG   GLU  29          1HG       GLU  29   4.083  -2.425  -1.735
  196    H    LEU  30           H        LEU  30   3.601  -4.208  -5.182
  197    HA   LEU  30           HA       LEU  30   5.063  -4.174  -7.799
  198   1HB   LEU  30          2HB       LEU  30   3.744  -6.325  -6.258
  199   2HB   LEU  30          1HB       LEU  30   3.314  -6.277  -7.965
  200    HG   LEU  30           HG       LEU  30   5.654  -6.368  -8.614
  201   1HD1  LEU  30          1HD1      LEU  30   7.332  -6.809  -6.684
  202   2HD1  LEU  30          2HD1      LEU  30   6.100  -6.106  -5.638
  203   3HD1  LEU  30          3HD1      LEU  30   6.800  -5.148  -6.941
  204   1HD2  LEU  30          1HD2      LEU  30   6.254  -8.603  -7.594
  205   2HD2  LEU  30          2HD2      LEU  30   4.624  -8.526  -8.260
  206   3HD2  LEU  30          3HD2      LEU  30   4.869  -8.415  -6.518
  207    H    TYR  31           H        TYR  31   3.975  -3.279  -9.476
  208    HA   TYR  31           HA       TYR  31   1.017  -2.931  -9.225
  209   1HB   TYR  31          2HB       TYR  31   2.700  -0.874 -10.624
  210   2HB   TYR  31          1HB       TYR  31   1.102  -0.688  -9.923
  211    HD1  TYR  31           HD1      TYR  31   4.525  -1.709  -8.678
  212    HD2  TYR  31           HD2      TYR  31   1.028   0.715  -8.098
  213    HE1  TYR  31           HE1      TYR  31   5.541  -0.733  -6.649
  214    HE2  TYR  31           HE2      TYR  31   2.046   1.690  -6.059
  215    HH   TYR  31           HH       TYR  31   5.272   0.669  -4.950
  216    H    HIS  32           H        HIS  32  -0.054  -2.688 -11.289
  217    HA   HIS  32           HA       HIS  32   1.224  -4.250 -13.460
  218   1HB   HIS  32          2HB       HIS  32  -1.541  -3.353 -12.787
  219   2HB   HIS  32          1HB       HIS  32  -1.161  -3.505 -14.496
  220    HD2  HIS  32           HD2      HIS  32  -0.059  -6.250 -15.096
  221    HE1  HIS  32           HE1      HIS  32  -2.292  -7.917 -11.931
  222    HE2  HIS  32           HE2      HIS  32  -0.982  -8.453 -14.036
  223    H    GLU  33           H        GLU  33   0.615  -3.183 -15.751
  224    HA   GLU  33           HA       GLU  33   1.903  -0.563 -15.735
  225   1HB   GLU  33          2HB       GLU  33   1.485  -0.674 -18.234
  226   2HB   GLU  33          1HB       GLU  33   2.419  -2.027 -17.599
  227   1HG   GLU  33          2HG       GLU  33   0.885  -3.448 -18.436
  228   2HG   GLU  33          1HG       GLU  33  -0.324  -2.745 -17.363
  229    H    GLN  34           H        GLN  34  -0.926  -1.261 -14.631
  230    HA   GLN  34           HA       GLN  34  -2.109   1.305 -15.239
  231   1HB   GLN  34          2HB       GLN  34  -4.277   0.226 -16.127
  232   2HB   GLN  34          1HB       GLN  34  -2.925   0.341 -17.252
  233   1HG   GLN  34          2HG       GLN  34  -2.331  -1.968 -16.891
  234   2HG   GLN  34          1HG       GLN  34  -3.492  -2.114 -15.571
  235   1HE2  GLN  34          1HE2      GLN  34  -5.797  -2.170 -16.137
  236   2HE2  GLN  34          2HE2      GLN  34  -6.299  -2.499 -17.724
  237    H    CYS  35           H        CYS  35  -1.325   0.256 -12.854
  238    HA   CYS  35           HA       CYS  35  -3.938  -0.122 -11.473
  239   1HB   CYS  35          2HB       CYS  35  -1.441  -1.771 -11.104
  240   2HB   CYS  35          1HB       CYS  35  -2.662  -1.655  -9.854
  241    H    PHE  36           H        PHE  36  -0.819   1.318 -11.666
  242    HA   PHE  36           HA       PHE  36  -0.106   2.081  -9.098
  243   1HB   PHE  36          2HB       PHE  36  -0.142   3.675 -11.662
  244   2HB   PHE  36          1HB       PHE  36   0.486   4.352 -10.171
  245    HD1  PHE  36           HD1      PHE  36   0.777   1.313 -12.336
  246    HD2  PHE  36           HD2      PHE  36   2.704   3.968  -9.585
  247    HE1  PHE  36           HE1      PHE  36   2.925   0.135 -12.706
  248    HE2  PHE  36           HE2      PHE  36   4.858   2.792  -9.944
  249    HZ   PHE  36           HZ       PHE  36   4.968   0.873 -11.510
  250    H    VAL  37           H        VAL  37  -1.884   2.324  -7.667
  251    HA   VAL  37           HA       VAL  37  -3.949   4.341  -8.331
  252    HB   VAL  37           HB       VAL  37  -4.726   3.442  -5.921
  253   1HG1  VAL  37          1HG1      VAL  37  -5.922   3.342  -8.152
  254   2HG1  VAL  37          2HG1      VAL  37  -6.214   1.953  -7.106
  255   3HG1  VAL  37          3HG1      VAL  37  -5.090   1.818  -8.458
  256   1HG2  VAL  37          1HG2      VAL  37  -3.493   0.967  -7.112
  257   2HG2  VAL  37          2HG2      VAL  37  -4.052   1.242  -5.465
  258   3HG2  VAL  37          3HG2      VAL  37  -2.548   1.975  -6.020
  259    H    CYS  38           H        CYS  38  -4.658   5.853  -6.686
  260    HA   CYS  38           HA       CYS  38  -2.367   7.148  -5.331
  261   1HB   CYS  38          2HB       CYS  38  -4.091   8.409  -6.723
  262   2HB   CYS  38          1HB       CYS  38  -5.246   8.068  -5.437
  263    H    ALA  39           H        ALA  39  -2.126   7.115  -3.131
  264    HA   ALA  39           HA       ALA  39  -3.455   5.198  -1.518
  265   1HB   ALA  39          1HB       ALA  39  -2.491   6.961   0.332
  266   2HB   ALA  39          2HB       ALA  39  -1.529   7.393  -1.079
  267   3HB   ALA  39          3HB       ALA  39  -1.508   5.739  -0.472
  268    H    GLN  40           H        GLN  40  -4.680   8.169  -2.606
  269    HA   GLN  40           HA       GLN  40  -6.661   8.181  -0.357
  270   1HB   GLN  40          2HB       GLN  40  -6.069  10.631  -2.002
  271   2HB   GLN  40          1HB       GLN  40  -6.764  10.523  -0.386
  272   1HG   GLN  40          2HG       GLN  40  -4.534   9.588   0.397
  273   2HG   GLN  40          1HG       GLN  40  -3.885  10.024  -1.184
  274   1HE2  GLN  40          1HE2      GLN  40  -2.574  11.820  -0.653
  275   2HE2  GLN  40          2HE2      GLN  40  -3.152  13.219   0.115
  276    H    CYS  41           H        CYS  41  -6.429   9.497  -3.707
  277    HA   CYS  41           HA       CYS  41  -9.282   9.139  -4.112
  278   1HB   CYS  41          2HB       CYS  41  -8.918   9.947  -6.332
  279   2HB   CYS  41          1HB       CYS  41  -7.806  10.843  -5.302
  280    H    PHE  42           H        PHE  42  -6.635   7.027  -4.209
  281    HA   PHE  42           HA       PHE  42  -6.365   4.828  -4.961
  282   1HB   PHE  42          2HB       PHE  42  -9.388   4.883  -4.722
  283   2HB   PHE  42          1HB       PHE  42  -8.398   3.426  -4.830
  284    HD1  PHE  42           HD1      PHE  42 -10.071   5.448  -2.570
  285    HD2  PHE  42           HD2      PHE  42  -6.250   3.561  -3.115
  286    HE1  PHE  42           HE1      PHE  42  -9.682   5.526  -0.123
  287    HE2  PHE  42           HE2      PHE  42  -5.862   3.639  -0.668
  288    HZ   PHE  42           HZ       PHE  42  -7.579   4.622   0.829
  289    H    GLN  43           H        GLN  43  -6.806   6.985  -7.023
  290    HA   GLN  43           HA       GLN  43  -8.206   5.552  -9.190
  291   1HB   GLN  43          2HB       GLN  43  -6.604   8.133  -9.255
  292   2HB   GLN  43          1HB       GLN  43  -7.612   7.512 -10.563
  293   1HG   GLN  43          2HG       GLN  43  -9.580   7.604  -9.017
  294   2HG   GLN  43          1HG       GLN  43  -8.542   8.364  -7.814
  295   1HE2  GLN  43          1HE2      GLN  43  -7.674  10.540  -8.327
  296   2HE2  GLN  43          2HE2      GLN  43  -8.437  11.511  -9.491
  297    H    GLN  44           H        GLN  44  -7.156   4.146 -10.524
  298    HA   GLN  44           HA       GLN  44  -4.308   3.688 -10.201
  299   1HB   GLN  44          2HB       GLN  44  -4.954   2.286 -12.455
  300   2HB   GLN  44          1HB       GLN  44  -5.138   1.669 -10.821
  301   1HG   GLN  44          2HG       GLN  44  -7.355   3.282 -12.063
  302   2HG   GLN  44          1HG       GLN  44  -7.178   1.575 -12.467
  303   1HE2  GLN  44          1HE2      GLN  44  -8.754   3.587 -10.322
  304   2HE2  GLN  44          2HE2      GLN  44  -8.966   2.503  -9.033
  305    H    PHE  45           H        PHE  45  -2.758   3.845 -12.006
  306    HA   PHE  45           HA       PHE  45  -3.506   5.686 -14.191
  307   1HB   PHE  45          2HB       PHE  45  -1.716   6.355 -11.892
  308   2HB   PHE  45          1HB       PHE  45  -1.269   6.956 -13.489
  309    HD1  PHE  45           HD1      PHE  45  -3.447   7.426 -10.640
  310    HD2  PHE  45           HD2      PHE  45  -3.031   8.203 -14.843
  311    HE1  PHE  45           HE1      PHE  45  -5.144   9.223 -10.476
  312    HE2  PHE  45           HE2      PHE  45  -4.731  10.003 -14.679
  313    HZ   PHE  45           HZ       PHE  45  -5.789  10.512 -12.494
  314    HA   PRO  46           HA       PRO  46  -0.833   2.497 -15.929
  315   1HB   PRO  46          2HB       PRO  46  -1.377   3.669 -18.494
  316   2HB   PRO  46          1HB       PRO  46  -1.964   2.132 -17.852
  317   1HG   PRO  46          2HG       PRO  46  -3.491   4.512 -18.265
  318   2HG   PRO  46          1HG       PRO  46  -4.029   3.019 -17.479
  319   1HD   PRO  46          2HD       PRO  46  -3.413   5.585 -16.253
  320   2HD   PRO  46          1HD       PRO  46  -4.097   4.131 -15.495
  321    H    GLU  47           H        GLU  47  -0.102   5.498 -15.217
  322    HA   GLU  47           HA       GLU  47   1.693   6.464 -17.197
  323   1HB   GLU  47          2HB       GLU  47   1.258   6.861 -14.291
  324   2HB   GLU  47          1HB       GLU  47   2.859   7.298 -14.887
  325   1HG   GLU  47          2HG       GLU  47   2.057   9.024 -16.184
  326   2HG   GLU  47          1HG       GLU  47   0.515   8.221 -16.486
  327    H    GLY  48           H        GLY  48   1.899   3.721 -15.140
  328   1HA   GLY  48          2HA       GLY  48   3.544   2.008 -15.208
  329   2HA   GLY  48          1HA       GLY  48   4.558   3.056 -16.203
  330    H    LEU  49           H        LEU  49   3.975   5.242 -14.135
  331    HA   LEU  49           HA       LEU  49   5.080   4.501 -11.616
  332   1HB   LEU  49          2HB       LEU  49   7.090   4.146 -13.209
  333   2HB   LEU  49          1HB       LEU  49   7.118   5.900 -13.363
  334    HG   LEU  49           HG       LEU  49   6.941   4.883 -10.584
  335   1HD1  LEU  49          1HD1      LEU  49   9.375   4.376 -10.506
  336   2HD1  LEU  49          2HD1      LEU  49   9.443   4.521 -12.263
  337   3HD1  LEU  49          3HD1      LEU  49   8.491   3.236 -11.520
  338   1HD2  LEU  49          1HD2      LEU  49   7.196   7.244 -10.936
  339   2HD2  LEU  49          2HD2      LEU  49   8.521   6.999 -12.073
  340   3HD2  LEU  49          3HD2      LEU  49   8.757   6.664 -10.358
  341    H    PHE  50           H        PHE  50   3.408   5.969 -11.007
  342    HA   PHE  50           HA       PHE  50   3.617   8.766 -11.910
  343   1HB   PHE  50          2HB       PHE  50   1.561   9.104 -10.563
  344   2HB   PHE  50          1HB       PHE  50   1.378   7.803 -11.729
  345    HD1  PHE  50           HD1      PHE  50   3.501   6.529  -9.210
  346    HD2  PHE  50           HD2      PHE  50  -0.612   7.556  -9.923
  347    HE1  PHE  50           HE1      PHE  50   2.797   5.012  -7.390
  348    HE2  PHE  50           HE2      PHE  50  -1.301   6.037  -8.092
  349    HZ   PHE  50           HZ       PHE  50   0.404   4.764  -6.831
  350    H    TYR  51           H        TYR  51   2.484   9.022  -8.850
  351    HA   TYR  51           HA       TYR  51   5.193   9.722  -7.849
  352   1HB   TYR  51          2HB       TYR  51   2.605  10.998  -7.668
  353   2HB   TYR  51          1HB       TYR  51   3.240  10.689  -6.055
  354    HD1  TYR  51           HD1      TYR  51   5.782  11.251  -5.696
  355    HD2  TYR  51           HD2      TYR  51   3.348  12.893  -8.833
  356    HE1  TYR  51           HE1      TYR  51   7.377  13.132  -5.949
  357    HE2  TYR  51           HE2      TYR  51   4.941  14.777  -9.085
  358    HH   TYR  51           HH       TYR  51   6.675  15.860  -8.074
  359    H    GLU  52           H        GLU  52   4.933   7.105  -7.775
  360    HA   GLU  52           HA       GLU  52   3.582   5.968  -5.521
  361   1HB   GLU  52          2HB       GLU  52   4.639   3.980  -6.111
  362   2HB   GLU  52          1HB       GLU  52   4.770   4.867  -7.627
  363   1HG   GLU  52          2HG       GLU  52   6.922   4.744  -5.489
  364   2HG   GLU  52          1HG       GLU  52   6.936   3.848  -7.001
  365    H    PHE  53           H        PHE  53   4.840   4.981  -3.607
  366    HA   PHE  53           HA       PHE  53   7.288   6.427  -2.850
  367   1HB   PHE  53          2HB       PHE  53   4.683   7.344  -2.008
  368   2HB   PHE  53          1HB       PHE  53   5.584   6.770  -0.606
  369    HD1  PHE  53           HD1      PHE  53   7.701   7.813   0.056
  370    HD2  PHE  53           HD2      PHE  53   5.473   9.249  -3.328
  371    HE1  PHE  53           HE1      PHE  53   9.061   9.886   0.038
  372    HE2  PHE  53           HE2      PHE  53   6.835  11.319  -3.343
  373    HZ   PHE  53           HZ       PHE  53   8.628  11.639  -1.662
  374    H    GLU  54           H        GLU  54   8.183   5.587  -0.800
  375    HA   GLU  54           HA       GLU  54   7.957   2.731  -0.628
  376   1HB   GLU  54          2HB       GLU  54   9.317   3.089   1.526
  377   2HB   GLU  54          1HB       GLU  54  10.045   3.656   0.025
  378   1HG   GLU  54          2HG       GLU  54  10.033   5.804   0.727
  379   2HG   GLU  54          1HG       GLU  54   8.348   5.701   1.234
  380    H    GLY  55           H        GLY  55   6.133   1.768   0.125
  381   1HA   GLY  55          2HA       GLY  55   4.620   1.089   1.827
  382   2HA   GLY  55          1HA       GLY  55   5.191   2.420   2.831
  383    H    ARG  56           H        ARG  56   4.691   4.009   0.098
  384    HA   ARG  56           HA       ARG  56   1.742   4.319   0.498
  385   1HB   ARG  56          2HB       ARG  56   3.203   6.771  -0.262
  386   2HB   ARG  56          1HB       ARG  56   1.884   6.557   0.887
  387   1HG   ARG  56          2HG       ARG  56   3.504   5.590   2.517
  388   2HG   ARG  56          1HG       ARG  56   4.810   5.915   1.374
  389   1HD   ARG  56          2HD       ARG  56   2.939   8.019   2.506
  390   2HD   ARG  56          1HD       ARG  56   4.581   7.719   3.077
  391    HE   ARG  56           HE       ARG  56   4.914   8.154   0.367
  392   1HH1  ARG  56          1HH2      ARG  56   3.389   9.819   2.978
  393   2HH1  ARG  56          2HH2      ARG  56   3.652  11.390   2.301
  394   1HH2  ARG  56          2HH1      ARG  56   5.265  10.196  -0.523
  395   2HH2  ARG  56          1HH1      ARG  56   4.712  11.603   0.322
  396    H    LYS  57           H        LYS  57   1.055   6.008  -1.407
  397    HA   LYS  57           HA       LYS  57   2.426   5.642  -3.933
  398   1HB   LYS  57          2HB       LYS  57   0.257   4.439  -4.866
  399   2HB   LYS  57          1HB       LYS  57   1.557   3.493  -4.145
  400   1HG   LYS  57          2HG       LYS  57   0.387   3.191  -2.125
  401   2HG   LYS  57          1HG       LYS  57  -0.688   4.552  -2.442
  402   1HD   LYS  57          2HD       LYS  57  -0.820   2.467  -4.500
  403   2HD   LYS  57          1HD       LYS  57  -1.312   1.904  -2.903
  404   1HE   LYS  57          2HE       LYS  57  -2.385   4.551  -3.529
  405   2HE   LYS  57          1HE       LYS  57  -2.901   3.329  -4.677
  406   1HZ   LYS  57          1HZ       LYS  57  -3.853   2.043  -3.008
  407   2HZ   LYS  57          2HZ       LYS  57  -4.289   3.632  -2.592
  408   3HZ   LYS  57          3HZ       LYS  57  -3.023   2.851  -1.769
  409    H    TYR  58           H        TYR  58   1.920   7.462  -5.080
  410    HA   TYR  58           HA       TYR  58  -0.812   8.619  -4.771
  411   1HB   TYR  58          2HB       TYR  58   1.794  10.134  -4.438
  412   2HB   TYR  58          1HB       TYR  58   0.208  10.894  -4.558
  413    HD1  TYR  58           HD1      TYR  58   2.559   9.171  -2.409
  414    HD2  TYR  58           HD2      TYR  58  -1.554  10.354  -2.813
  415    HE1  TYR  58           HE1      TYR  58   2.214   8.802   0.017
  416    HE2  TYR  58           HE2      TYR  58  -1.893   9.988  -0.383
  417    HH   TYR  58           HH       TYR  58  -0.977   8.951   1.464
  418    H    CYS  59           H        CYS  59  -1.485   9.866  -6.557
  419    HA   CYS  59           HA       CYS  59   0.139   9.450  -9.019
  420   1HB   CYS  59          2HB       CYS  59  -2.017  10.156 -10.170
  421   2HB   CYS  59          1HB       CYS  59  -2.118   8.640  -9.275
  422    H    GLU  60           H        GLU  60  -0.493  11.495 -10.610
  423    HA   GLU  60           HA       GLU  60   0.861  13.738  -9.400
  424   1HB   GLU  60          2HB       GLU  60   0.698  13.031 -11.920
  425   2HB   GLU  60          1HB       GLU  60  -0.791  13.977 -11.907
  426   1HG   GLU  60          2HG       GLU  60   1.195  15.321 -12.605
  427   2HG   GLU  60          1HG       GLU  60   0.422  15.956 -11.155
  428    H    HIS  61           H        HIS  61  -2.183  12.645  -8.851
  429    HA   HIS  61           HA       HIS  61  -3.581  15.222  -8.915
  430   1HB   HIS  61          2HB       HIS  61  -5.263  13.710  -9.151
  431   2HB   HIS  61          1HB       HIS  61  -4.293  12.405  -8.482
  432    HD2  HIS  61           HD2      HIS  61  -6.166  15.548  -6.876
  433    HE1  HIS  61           HE1      HIS  61  -6.517  12.246  -4.274
  434    HE2  HIS  61           HE2      HIS  61  -7.144  14.679  -4.620
  435    H    ASP  62           H        ASP  62  -2.974  12.949  -6.194
  436    HA   ASP  62           HA       ASP  62  -3.420  14.963  -4.211
  437   1HB   ASP  62          2HB       ASP  62  -2.277  12.214  -4.253
  438   2HB   ASP  62          1HB       ASP  62  -1.826  13.231  -2.885
  439    H    PHE  63           H        PHE  63  -0.518  13.870  -5.899
  440    HA   PHE  63           HA       PHE  63   1.310  15.379  -4.269
  441   1HB   PHE  63          2HB       PHE  63   1.539  13.496  -6.319
  442   2HB   PHE  63          1HB       PHE  63   2.254  14.961  -6.987
  443    HD1  PHE  63           HD1      PHE  63   4.154  16.076  -5.846
  444    HD2  PHE  63           HD2      PHE  63   2.524  12.368  -4.414
  445    HE1  PHE  63           HE1      PHE  63   6.158  15.743  -4.425
  446    HE2  PHE  63           HE2      PHE  63   4.530  12.034  -2.997
  447    HZ   PHE  63           HZ       PHE  63   6.347  13.721  -3.001
  448    H    GLN  64           H        GLN  64  -0.428  16.170  -7.325
  449    HA   GLN  64           HA       GLN  64   0.991  18.703  -7.578
  450   1HB   GLN  64          2HB       GLN  64  -0.454  19.209  -9.376
  451   2HB   GLN  64          1HB       GLN  64  -0.295  17.458  -9.448
  452   1HG   GLN  64          2HG       GLN  64  -2.587  17.559  -9.544
  453   2HG   GLN  64          1HG       GLN  64  -2.425  17.643  -7.794
  454   1HE2  GLN  64          1HE2      GLN  64  -2.209  19.982 -10.547
  455   2HE2  GLN  64          2HE2      GLN  64  -3.134  21.181  -9.781
  456    H    MET  65           H        MET  65  -1.603  17.546  -5.674
  457    HA   MET  65           HA       MET  65  -2.935  20.050  -5.143
  458   1HB   MET  65          2HB       MET  65  -3.219  17.335  -4.330
  459   2HB   MET  65          1HB       MET  65  -2.999  18.281  -2.858
  460   1HG   MET  65          2HG       MET  65  -4.747  19.900  -3.971
  461   2HG   MET  65          1HG       MET  65  -5.168  18.481  -4.928
  462   1HE   MET  65          1HE       MET  65  -6.454  15.897  -2.562
  463   2HE   MET  65          2HE       MET  65  -5.213  16.140  -3.787
  464   3HE   MET  65          3HE       MET  65  -6.859  16.689  -4.092
  465    H    LEU  66           H        LEU  66  -0.243  18.271  -3.701
  466    HA   LEU  66           HA       LEU  66   0.241  20.184  -1.564
  467   1HB   LEU  66          2HB       LEU  66   2.420  18.475  -2.754
  468   2HB   LEU  66          1HB       LEU  66   2.145  18.901  -1.066
  469    HG   LEU  66           HG       LEU  66   0.496  16.981  -2.730
  470   1HD1  LEU  66          1HD1      LEU  66   2.248  16.541  -0.295
  471   2HD1  LEU  66          2HD1      LEU  66   2.677  16.107  -1.950
  472   3HD1  LEU  66          3HD1      LEU  66   1.330  15.299  -1.148
  473   1HD2  LEU  66          1HD2      LEU  66  -0.611  16.557  -0.455
  474   2HD2  LEU  66          2HD2      LEU  66  -1.029  18.079  -1.242
  475   3HD2  LEU  66          3HD2      LEU  66   0.140  18.061   0.079
  476    H    PHE  67           H        PHE  67   1.011  19.870  -4.918
  477    HA   PHE  67           HA       PHE  67   2.041  21.294  -6.434
  478   1HB   PHE  67          2HB       PHE  67   0.789  22.959  -4.550
  479   2HB   PHE  67          1HB       PHE  67   2.420  23.611  -4.707
  480    HD1  PHE  67           HD1      PHE  67  -0.783  23.045  -6.375
  481    HD2  PHE  67           HD2      PHE  67   3.284  24.314  -6.935
  482    HE1  PHE  67           HE1      PHE  67  -1.395  24.047  -8.558
  483    HE2  PHE  67           HE2      PHE  67   2.670  25.316  -9.118
  484    HZ   PHE  67           HZ       PHE  67   0.331  25.183  -9.930
  485    H    ALA  68           H        ALA  68   3.590  19.682  -4.421
  486    HA   ALA  68           HA       ALA  68   5.819  19.370  -3.771
  487   1HB   ALA  68          1HB       ALA  68   6.091  19.604  -6.250
  488   2HB   ALA  68          2HB       ALA  68   7.501  20.149  -5.343
  489   3HB   ALA  68          3HB       ALA  68   6.377  21.329  -6.019
  490    HA   PRO  69           HA       PRO  69   5.627  23.351  -1.383
  491   1HB   PRO  69          2HB       PRO  69   6.070  21.769   0.975
  492   2HB   PRO  69          1HB       PRO  69   4.602  22.642   0.515
  493   1HG   PRO  69          2HG       PRO  69   5.029  19.787   0.507
  494   2HG   PRO  69          1HG       PRO  69   3.562  20.666   0.057
  495   1HD   PRO  69          2HD       PRO  69   5.421  19.313  -1.688
  496   2HD   PRO  69          1HD       PRO  69   3.942  20.187  -2.134
  497    H    CYS  70           H        CYS  70   7.814  20.779  -1.896
  498    HA   CYS  70           HA       CYS  70  10.005  21.855  -0.281
  499   1HB   CYS  70          2HB       CYS  70   9.768  19.415  -0.817
  500   2HB   CYS  70          1HB       CYS  70  10.105  19.794  -2.506
  501    HG   CYS  70           HG       CYS  70  12.398  20.951  -1.276
  Start of MODEL   13
    1    H    MET   1           1H       MET   1   4.722 -18.338   5.515
    2    HA   MET   1           HA       MET   1   2.482 -19.063   4.423
    3   1HB   MET   1          2HB       MET   1   2.982 -16.301   3.264
    4   2HB   MET   1          1HB       MET   1   1.757 -17.449   2.724
    5   1HG   MET   1          2HG       MET   1   1.906 -16.141   5.457
    6   2HG   MET   1          1HG       MET   1   0.724 -15.796   4.196
    7   1HE   MET   1          1HE       MET   1   0.565 -16.854   7.373
    8   2HE   MET   1          2HE       MET   1  -0.943 -17.759   7.278
    9   3HE   MET   1          3HE       MET   1  -0.812 -16.195   6.479
   10    H    ALA   2           H        ALA   2   2.730 -19.174   1.818
   11    HA   ALA   2           HA       ALA   2   5.341 -20.340   1.362
   12   1HB   ALA   2          1HB       ALA   2   3.385 -21.254   0.232
   13   2HB   ALA   2          2HB       ALA   2   4.501 -20.629  -0.982
   14   3HB   ALA   2          3HB       ALA   2   3.066 -19.703  -0.543
   15    H    ASN   3           H        ASN   3   6.929 -18.730   1.548
   16    HA   ASN   3           HA       ASN   3   6.700 -16.195   0.113
   17   1HB   ASN   3          2HB       ASN   3   7.968 -16.467   2.266
   18   2HB   ASN   3          1HB       ASN   3   9.153 -17.438   1.394
   19   1HD2  ASN   3          1HD2      ASN   3  10.441 -16.334  -0.300
   20   2HD2  ASN   3          2HD2      ASN   3  10.599 -14.645  -0.289
   21    H    ALA   4           H        ALA   4   7.373 -15.807  -1.946
   22    HA   ALA   4           HA       ALA   4   8.285 -16.172  -4.073
   23   1HB   ALA   4          1HB       ALA   4  10.505 -16.897  -4.158
   24   2HB   ALA   4          2HB       ALA   4  10.275 -18.081  -2.871
   25   3HB   ALA   4          3HB       ALA   4  10.372 -16.363  -2.484
   26    H    LEU   5           H        LEU   5   9.286 -18.364  -5.354
   27    HA   LEU   5           HA       LEU   5   8.586 -20.337  -6.409
   28   1HB   LEU   5          2HB       LEU   5   9.046 -21.008  -3.865
   29   2HB   LEU   5          1HB       LEU   5   7.305 -21.289  -3.877
   30    HG   LEU   5           HG       LEU   5   7.818 -22.579  -6.117
   31   1HD1  LEU   5          1HD1      LEU   5  10.195 -21.902  -6.211
   32   2HD1  LEU   5          2HD1      LEU   5  10.038 -23.654  -6.084
   33   3HD1  LEU   5          3HD1      LEU   5  10.482 -22.703  -4.666
   34   1HD2  LEU   5          1HD2      LEU   5   8.539 -23.661  -3.372
   35   2HD2  LEU   5          2HD2      LEU   5   8.181 -24.652  -4.786
   36   3HD2  LEU   5          3HD2      LEU   5   6.926 -23.630  -4.085
   37    H    ALA   6           H        ALA   6   6.700 -17.992  -6.105
   38    HA   ALA   6           HA       ALA   6   4.306 -19.390  -7.095
   39   1HB   ALA   6          1HB       ALA   6   4.201 -17.593  -4.650
   40   2HB   ALA   6          2HB       ALA   6   3.879 -19.327  -4.677
   41   3HB   ALA   6          3HB       ALA   6   2.793 -18.215  -5.511
   42    H    SER   7           H        SER   7   2.980 -17.997  -8.360
   43    HA   SER   7           HA       SER   7   4.348 -15.720  -9.512
   44   1HB   SER   7          2HB       SER   7   2.203 -15.431 -10.786
   45   2HB   SER   7          1HB       SER   7   2.873 -17.056 -10.902
   46    HG   SER   7           HG       SER   7   1.003 -16.350  -8.903
   47    H    ALA   8           H        ALA   8   4.473 -13.781  -8.498
   48    HA   ALA   8           HA       ALA   8   2.768 -13.025  -6.302
   49   1HB   ALA   8          1HB       ALA   8   3.868 -10.783  -6.572
   50   2HB   ALA   8          2HB       ALA   8   4.650 -11.391  -8.032
   51   3HB   ALA   8          3HB       ALA   8   5.018 -12.116  -6.467
   52    H    THR   9           H        THR   9   1.318 -11.104  -6.317
   53    HA   THR   9           HA       THR   9  -0.018 -10.754  -8.974
   54    HB   THR   9           HB       THR   9  -2.150 -10.658  -7.859
   55    HG1  THR   9           HG1      THR   9  -1.345  -9.533  -6.005
   56   1HG2  THR   9          1HG2      THR   9  -2.332 -12.874  -6.974
   57   2HG2  THR   9          2HG2      THR   9  -0.639 -12.886  -6.481
   58   3HG2  THR   9          3HG2      THR   9  -1.059 -12.933  -8.193
   59    H    CYS  10           H        CYS  10  -1.278  -8.658  -9.083
   60    HA   CYS  10           HA       CYS  10   0.437  -6.443  -8.528
   61   1HB   CYS  10          2HB       CYS  10  -1.256  -6.512 -10.348
   62   2HB   CYS  10          1HB       CYS  10  -2.513  -6.376  -9.133
   63    H    GLU  11           H        GLU  11   0.281  -4.782  -7.033
   64    HA   GLU  11           HA       GLU  11  -0.684  -5.572  -4.413
   65   1HB   GLU  11          2HB       GLU  11   1.415  -4.281  -4.861
   66   2HB   GLU  11          1HB       GLU  11   0.415  -2.907  -5.343
   67   1HG   GLU  11          2HG       GLU  11   1.027  -2.614  -3.016
   68   2HG   GLU  11          1HG       GLU  11  -0.682  -3.025  -3.069
   69    H    ARG  12           H        ARG  12  -2.041  -3.771  -7.035
   70    HA   ARG  12           HA       ARG  12  -4.123  -2.676  -5.183
   71   1HB   ARG  12          2HB       ARG  12  -4.472  -1.399  -7.645
   72   2HB   ARG  12          1HB       ARG  12  -3.749  -0.705  -6.205
   73   1HG   ARG  12          2HG       ARG  12  -1.963  -2.368  -7.915
   74   2HG   ARG  12          1HG       ARG  12  -2.470  -0.821  -8.564
   75   1HD   ARG  12          2HD       ARG  12  -0.312  -1.045  -7.010
   76   2HD   ARG  12          1HD       ARG  12  -1.329   0.392  -7.002
   77    HE   ARG  12           HE       ARG  12  -2.461  -1.263  -5.070
   78   1HH1  ARG  12          1HH2      ARG  12   0.676   0.017  -5.730
   79   2HH1  ARG  12          2HH2      ARG  12   1.137   0.095  -4.062
   80   1HH2  ARG  12          2HH1      ARG  12  -1.873  -1.154  -2.895
   81   2HH2  ARG  12          1HH1      ARG  12  -0.302  -0.566  -2.463
   82    H    CYS  13           H        CYS  13  -3.612  -4.297  -8.299
   83    HA   CYS  13           HA       CYS  13  -6.537  -4.837  -8.441
   84   1HB   CYS  13          2HB       CYS  13  -6.300  -4.985 -10.714
   85   2HB   CYS  13          1HB       CYS  13  -4.868  -4.007 -10.390
   86    H    LYS  14           H        LYS  14  -3.577  -6.346  -7.581
   87    HA   LYS  14           HA       LYS  14  -3.087  -8.544  -6.935
   88   1HB   LYS  14          2HB       LYS  14  -5.554  -8.030  -5.927
   89   2HB   LYS  14          1HB       LYS  14  -5.917  -9.397  -6.973
   90   1HG   LYS  14          2HG       LYS  14  -5.341 -10.415  -4.927
   91   2HG   LYS  14          1HG       LYS  14  -3.860 -10.529  -5.876
   92   1HD   LYS  14          2HD       LYS  14  -2.896  -8.631  -4.746
   93   2HD   LYS  14          1HD       LYS  14  -4.427  -8.253  -3.956
   94   1HE   LYS  14          2HE       LYS  14  -2.936  -9.397  -2.381
   95   2HE   LYS  14          1HE       LYS  14  -4.320 -10.426  -2.754
   96   1HZ   LYS  14          1HZ       LYS  14  -3.027 -11.928  -3.754
   97   2HZ   LYS  14          2HZ       LYS  14  -1.737 -11.176  -2.943
   98   3HZ   LYS  14          3HZ       LYS  14  -2.093 -10.757  -4.552
   99    H    GLY  15           H        GLY  15  -2.995  -7.995  -9.689
  100   1HA   GLY  15          2HA       GLY  15  -4.281 -10.339 -10.989
  101   2HA   GLY  15          1HA       GLY  15  -3.494  -9.002 -11.830
  102    H    GLY  16           H        GLY  16  -3.110 -12.187 -11.092
  103   1HA   GLY  16          2HA       GLY  16  -0.427 -12.456 -10.235
  104   2HA   GLY  16          1HA       GLY  16  -1.269 -13.637 -11.240
  105    H    PHE  17           H        PHE  17   1.079 -11.121 -11.203
  106    HA   PHE  17           HA       PHE  17   1.295 -11.250 -14.180
  107   1HB   PHE  17          2HB       PHE  17   2.807  -9.172 -13.791
  108   2HB   PHE  17          1HB       PHE  17   1.067  -8.979 -13.666
  109    HD1  PHE  17           HD1      PHE  17   1.370  -6.937 -12.296
  110    HD2  PHE  17           HD2      PHE  17   2.853 -10.752 -10.973
  111    HE1  PHE  17           HE1      PHE  17   1.672  -6.036 -10.018
  112    HE2  PHE  17           HE2      PHE  17   3.144  -9.841  -8.697
  113    HZ   PHE  17           HZ       PHE  17   2.553  -7.488  -8.221
  114    H    ALA  18           H        ALA  18   3.878 -10.553 -14.609
  115    HA   ALA  18           HA       ALA  18   5.809 -11.801 -12.914
  116   1HB   ALA  18          1HB       ALA  18   5.493 -13.981 -13.381
  117   2HB   ALA  18          2HB       ALA  18   6.020 -13.638 -15.028
  118   3HB   ALA  18          3HB       ALA  18   4.303 -13.601 -14.625
  119    HA   PRO  19           HA       PRO  19   7.722 -11.037 -17.334
  120   1HB   PRO  19          2HB       PRO  19   5.720  -9.585 -18.835
  121   2HB   PRO  19          1HB       PRO  19   6.507 -11.115 -19.249
  122   1HG   PRO  19          2HG       PRO  19   3.799 -10.730 -18.371
  123   2HG   PRO  19          1HG       PRO  19   4.610 -12.262 -18.723
  124   1HD   PRO  19          2HD       PRO  19   3.854 -11.217 -16.149
  125   2HD   PRO  19          1HD       PRO  19   4.660 -12.755 -16.506
  126    H    ALA  20           H        ALA  20   8.871  -9.094 -17.698
  127    HA   ALA  20           HA       ALA  20   8.624  -6.997 -15.807
  128   1HB   ALA  20          1HB       ALA  20  10.208  -5.763 -17.253
  129   2HB   ALA  20          2HB       ALA  20   9.927  -6.928 -18.548
  130   3HB   ALA  20          3HB       ALA  20  10.703  -7.444 -17.050
  131    H    GLU  21           H        GLU  21   6.810  -7.577 -18.661
  132    HA   GLU  21           HA       GLU  21   6.080  -4.782 -19.135
  133   1HB   GLU  21          2HB       GLU  21   4.649  -7.254 -20.146
  134   2HB   GLU  21          1HB       GLU  21   4.634  -5.638 -20.850
  135   1HG   GLU  21          2HG       GLU  21   6.232  -6.563 -22.213
  136   2HG   GLU  21          1HG       GLU  21   7.290  -6.082 -20.887
  137    H    LYS  22           H        LYS  22   4.658  -7.629 -17.574
  138    HA   LYS  22           HA       LYS  22   2.305  -6.033 -16.747
  139   1HB   LYS  22          2HB       LYS  22   2.978  -8.955 -16.283
  140   2HB   LYS  22          1HB       LYS  22   1.453  -8.181 -15.860
  141   1HG   LYS  22          2HG       LYS  22   2.544  -8.172 -18.682
  142   2HG   LYS  22          1HG       LYS  22   1.484  -9.446 -18.082
  143   1HD   LYS  22          2HD       LYS  22  -0.349  -8.132 -18.244
  144   2HD   LYS  22          1HD       LYS  22   0.458  -6.780 -17.453
  145   1HE   LYS  22          2HE       LYS  22   0.846  -7.555 -20.361
  146   2HE   LYS  22          1HE       LYS  22  -0.203  -6.255 -19.800
  147   1HZ   LYS  22          1HZ       LYS  22   2.660  -6.317 -20.054
  148   2HZ   LYS  22          2HZ       LYS  22   2.133  -5.727 -18.549
  149   3HZ   LYS  22          3HZ       LYS  22   1.606  -4.990 -19.987
  150    H    ILE  23           H        ILE  23   5.197  -7.540 -15.420
  151    HA   ILE  23           HA       ILE  23   4.419  -6.832 -12.667
  152    HB   ILE  23           HB       ILE  23   6.250  -8.686 -13.900
  153   1HG1  ILE  23          2HG1      ILE  23   4.604  -9.215 -12.148
  154   2HG1  ILE  23          1HG1      ILE  23   6.225  -9.679 -11.645
  155   1HG2  ILE  23          1HG2      ILE  23   7.488  -6.754 -11.923
  156   2HG2  ILE  23          2HG2      ILE  23   8.081  -7.185 -13.527
  157   3HG2  ILE  23          3HG2      ILE  23   8.132  -8.367 -12.222
  158   1HD1  ILE  23          1HD1      ILE  23   6.315  -7.311 -10.553
  159   2HD1  ILE  23          2HD1      ILE  23   5.390  -8.574  -9.746
  160   3HD1  ILE  23          3HD1      ILE  23   4.560  -7.350 -10.705
  161    H    VAL  24           H        VAL  24   4.829  -4.855 -11.864
  162    HA   VAL  24           HA       VAL  24   7.245  -3.380 -12.813
  163    HB   VAL  24           HB       VAL  24   4.666  -1.922 -12.247
  164   1HG1  VAL  24          1HG1      VAL  24   6.772  -0.652 -12.374
  165   2HG1  VAL  24          2HG1      VAL  24   5.712  -0.241 -13.720
  166   3HG1  VAL  24          3HG1      VAL  24   7.084  -1.319 -13.976
  167   1HG2  VAL  24          1HG2      VAL  24   4.277  -1.920 -14.740
  168   2HG2  VAL  24          2HG2      VAL  24   4.042  -3.498 -13.990
  169   3HG2  VAL  24          3HG2      VAL  24   5.524  -3.159 -14.885
  170    H    ASN  25           H        ASN  25   8.013  -4.298 -10.706
  171    HA   ASN  25           HA       ASN  25   6.722  -3.408  -8.251
  172   1HB   ASN  25          2HB       ASN  25   7.883  -5.397  -7.948
  173   2HB   ASN  25          1HB       ASN  25   9.256  -4.876  -8.921
  174   1HD2  ASN  25          1HD2      ASN  25   7.565  -3.827  -5.895
  175   2HD2  ASN  25          2HD2      ASN  25   8.994  -3.467  -5.053
  176    H    SER  26           H        SER  26   7.498  -1.793  -6.827
  177    HA   SER  26           HA       SER  26   9.812  -0.160  -7.560
  178   1HB   SER  26          2HB       SER  26   8.707   1.783  -8.237
  179   2HB   SER  26          1HB       SER  26   7.709   0.533  -8.982
  180    HG   SER  26           HG       SER  26   6.140   1.300  -7.827
  181    H    ASN  27           H        ASN  27  10.626   0.786  -5.743
  182    HA   ASN  27           HA       ASN  27  10.804   1.513  -3.527
  183   1HB   ASN  27          2HB       ASN  27   7.815   1.421  -3.223
  184   2HB   ASN  27          1HB       ASN  27   8.972   2.541  -2.508
  185   1HD2  ASN  27          1HD2      ASN  27   6.569   2.517  -4.747
  186   2HD2  ASN  27          2HD2      ASN  27   7.152   3.688  -5.827
  187    H    GLY  28           H        GLY  28   8.222  -0.887  -3.949
  188   1HA   GLY  28          2HA       GLY  28   9.435  -3.026  -2.647
  189   2HA   GLY  28          1HA       GLY  28   8.645  -2.114  -1.359
  190    H    GLU  29           H        GLU  29   6.573  -1.254  -3.454
  191    HA   GLU  29           HA       GLU  29   4.820  -3.618  -3.086
  192   1HB   GLU  29          2HB       GLU  29   4.432  -0.707  -3.492
  193   2HB   GLU  29          1HB       GLU  29   3.244  -1.744  -4.282
  194   1HG   GLU  29          2HG       GLU  29   2.810  -2.881  -2.136
  195   2HG   GLU  29          1HG       GLU  29   3.994  -1.842  -1.343
  196    H    LEU  30           H        LEU  30   3.313  -4.060  -5.038
  197    HA   LEU  30           HA       LEU  30   4.936  -3.948  -7.554
  198   1HB   LEU  30          2HB       LEU  30   2.838  -6.030  -6.976
  199   2HB   LEU  30          1HB       LEU  30   4.153  -6.096  -8.147
  200    HG   LEU  30           HG       LEU  30   4.265  -6.449  -5.153
  201   1HD1  LEU  30          1HD1      LEU  30   3.977  -8.406  -6.658
  202   2HD1  LEU  30          2HD1      LEU  30   5.503  -8.461  -5.775
  203   3HD1  LEU  30          3HD1      LEU  30   5.483  -7.973  -7.470
  204   1HD2  LEU  30          1HD2      LEU  30   6.262  -5.129  -6.842
  205   2HD2  LEU  30          2HD2      LEU  30   6.901  -6.573  -6.065
  206   3HD2  LEU  30          3HD2      LEU  30   6.209  -5.282  -5.087
  207    H    TYR  31           H        TYR  31   3.880  -3.303  -9.411
  208    HA   TYR  31           HA       TYR  31   0.953  -2.818  -9.280
  209   1HB   TYR  31          2HB       TYR  31   2.595  -0.646 -10.490
  210   2HB   TYR  31          1HB       TYR  31   1.049  -0.532  -9.668
  211    HD1  TYR  31           HD1      TYR  31   4.553  -1.620  -8.771
  212    HD2  TYR  31           HD2      TYR  31   1.104   0.701  -7.706
  213    HE1  TYR  31           HE1      TYR  31   5.735  -0.808  -6.765
  214    HE2  TYR  31           HE2      TYR  31   2.286   1.512  -5.681
  215    HH   TYR  31           HH       TYR  31   5.693   0.788  -5.133
  216    H    HIS  32           H        HIS  32   0.034  -2.499 -11.392
  217    HA   HIS  32           HA       HIS  32   1.514  -3.916 -13.539
  218   1HB   HIS  32          2HB       HIS  32  -1.342  -3.190 -13.021
  219   2HB   HIS  32          1HB       HIS  32  -0.837  -3.344 -14.697
  220    HD2  HIS  32           HD2      HIS  32   0.496  -6.021 -15.151
  221    HE1  HIS  32           HE1      HIS  32  -1.900  -7.794 -12.165
  222    HE2  HIS  32           HE2      HIS  32  -0.382  -8.265 -14.144
  223    H    GLU  33           H        GLU  33   0.789  -2.778 -15.828
  224    HA   GLU  33           HA       GLU  33   2.088  -0.170 -15.740
  225   1HB   GLU  33          2HB       GLU  33   0.618  -0.975 -18.203
  226   2HB   GLU  33          1HB       GLU  33   2.261  -0.356 -18.028
  227   1HG   GLU  33          2HG       GLU  33   2.818  -2.521 -18.528
  228   2HG   GLU  33          1HG       GLU  33   2.550  -2.748 -16.799
  229    H    GLN  34           H        GLN  34  -1.072  -1.327 -15.345
  230    HA   GLN  34           HA       GLN  34  -2.128   1.452 -15.533
  231   1HB   GLN  34          2HB       GLN  34  -3.544  -1.016 -16.590
  232   2HB   GLN  34          1HB       GLN  34  -4.200   0.621 -16.572
  233   1HG   GLN  34          2HG       GLN  34  -2.205   1.326 -17.972
  234   2HG   GLN  34          1HG       GLN  34  -1.813  -0.384 -18.143
  235   1HE2  GLN  34          1HE2      GLN  34  -3.137  -1.672 -19.549
  236   2HE2  GLN  34          2HE2      GLN  34  -4.369  -1.007 -20.509
  237    H    CYS  35           H        CYS  35  -1.331   0.338 -13.168
  238    HA   CYS  35           HA       CYS  35  -3.943  -0.109 -11.792
  239   1HB   CYS  35          2HB       CYS  35  -1.388  -1.671 -11.464
  240   2HB   CYS  35          1HB       CYS  35  -2.598  -1.620 -10.196
  241    H    PHE  36           H        PHE  36  -0.892   1.409 -11.983
  242    HA   PHE  36           HA       PHE  36  -0.132   2.233  -9.459
  243   1HB   PHE  36          2HB       PHE  36  -0.360   3.737 -12.071
  244   2HB   PHE  36          1HB       PHE  36   0.254   4.527 -10.630
  245    HD1  PHE  36           HD1      PHE  36   0.731   1.029 -11.944
  246    HD2  PHE  36           HD2      PHE  36   2.564   4.750 -10.849
  247    HE1  PHE  36           HE1      PHE  36   2.973   0.054 -12.351
  248    HE2  PHE  36           HE2      PHE  36   4.797   3.770 -11.248
  249    HZ   PHE  36           HZ       PHE  36   5.004   1.423 -12.002
  250    H    VAL  37           H        VAL  37  -1.672   2.641  -7.849
  251    HA   VAL  37           HA       VAL  37  -3.862   4.585  -8.482
  252    HB   VAL  37           HB       VAL  37  -4.687   3.516  -6.157
  253   1HG1  VAL  37          1HG1      VAL  37  -6.145   2.084  -7.485
  254   2HG1  VAL  37          2HG1      VAL  37  -5.027   2.154  -8.848
  255   3HG1  VAL  37          3HG1      VAL  37  -5.896   3.602  -8.345
  256   1HG2  VAL  37          1HG2      VAL  37  -2.510   2.010  -6.427
  257   2HG2  VAL  37          2HG2      VAL  37  -3.566   1.076  -7.481
  258   3HG2  VAL  37          3HG2      VAL  37  -4.009   1.333  -5.795
  259    H    CYS  38           H        CYS  38  -4.579   5.937  -6.667
  260    HA   CYS  38           HA       CYS  38  -2.264   7.149  -5.273
  261   1HB   CYS  38          2HB       CYS  38  -4.048   8.475  -6.537
  262   2HB   CYS  38          1HB       CYS  38  -5.152   8.050  -5.233
  263    H    ALA  39           H        ALA  39  -1.879   6.739  -3.141
  264    HA   ALA  39           HA       ALA  39  -3.236   4.786  -1.630
  265   1HB   ALA  39          1HB       ALA  39  -1.734   5.264   0.031
  266   2HB   ALA  39          2HB       ALA  39  -1.980   7.006  -0.102
  267   3HB   ALA  39          3HB       ALA  39  -0.947   6.170  -1.259
  268    H    GLN  40           H        GLN  40  -4.202   8.050  -2.242
  269    HA   GLN  40           HA       GLN  40  -6.108   7.946   0.056
  270   1HB   GLN  40          2HB       GLN  40  -5.618  10.376  -1.654
  271   2HB   GLN  40          1HB       GLN  40  -6.210  10.294   0.004
  272   1HG   GLN  40          2HG       GLN  40  -3.857   9.165   0.457
  273   2HG   GLN  40          1HG       GLN  40  -3.403  10.013  -1.019
  274   1HE2  GLN  40          1HE2      GLN  40  -2.066  11.603   0.043
  275   2HE2  GLN  40          2HE2      GLN  40  -2.711  12.786   1.074
  276    H    CYS  41           H        CYS  41  -6.222   9.353  -3.254
  277    HA   CYS  41           HA       CYS  41  -9.092   8.925  -3.391
  278   1HB   CYS  41          2HB       CYS  41  -8.974   9.890  -5.578
  279   2HB   CYS  41          1HB       CYS  41  -7.803  10.760  -4.593
  280    H    PHE  42           H        PHE  42  -6.423   6.899  -3.889
  281    HA   PHE  42           HA       PHE  42  -6.187   4.765  -4.827
  282   1HB   PHE  42          2HB       PHE  42  -9.188   4.731  -4.408
  283   2HB   PHE  42          1HB       PHE  42  -8.174   3.318  -4.700
  284    HD1  PHE  42           HD1      PHE  42  -9.681   5.246  -2.187
  285    HD2  PHE  42           HD2      PHE  42  -6.015   3.198  -3.093
  286    HE1  PHE  42           HE1      PHE  42  -9.155   5.118   0.232
  287    HE2  PHE  42           HE2      PHE  42  -5.489   3.070  -0.673
  288    HZ   PHE  42           HZ       PHE  42  -7.059   4.029   0.990
  289    H    GLN  43           H        GLN  43  -7.119   7.188  -6.565
  290    HA   GLN  43           HA       GLN  43  -8.512   5.916  -8.788
  291   1HB   GLN  43          2HB       GLN  43  -8.653   8.369  -8.336
  292   2HB   GLN  43          1HB       GLN  43  -6.938   8.515  -8.719
  293   1HG   GLN  43          2HG       GLN  43  -7.296   7.842 -10.994
  294   2HG   GLN  43          1HG       GLN  43  -8.953   7.346 -10.653
  295   1HE2  GLN  43          1HE2      GLN  43 -10.338   8.847 -11.606
  296   2HE2  GLN  43          2HE2      GLN  43 -10.129  10.531 -11.559
  297    H    GLN  44           H        GLN  44  -7.521   4.618 -10.285
  298    HA   GLN  44           HA       GLN  44  -4.631   4.309 -10.197
  299   1HB   GLN  44          2HB       GLN  44  -4.922   2.458 -11.624
  300   2HB   GLN  44          1HB       GLN  44  -6.332   2.443 -10.591
  301   1HG   GLN  44          2HG       GLN  44  -6.283   3.703 -13.346
  302   2HG   GLN  44          1HG       GLN  44  -6.875   2.077 -13.014
  303   1HE2  GLN  44          1HE2      GLN  44  -8.719   1.950 -11.360
  304   2HE2  GLN  44          2HE2      GLN  44  -9.828   3.236 -11.312
  305    H    PHE  45           H        PHE  45  -3.565   4.121 -12.486
  306    HA   PHE  45           HA       PHE  45  -4.499   6.139 -14.402
  307   1HB   PHE  45          2HB       PHE  45  -2.174   6.595 -12.556
  308   2HB   PHE  45          1HB       PHE  45  -2.125   7.263 -14.187
  309    HD1  PHE  45           HD1      PHE  45  -3.286   7.783 -10.861
  310    HD2  PHE  45           HD2      PHE  45  -4.260   8.555 -14.969
  311    HE1  PHE  45           HE1      PHE  45  -4.780   9.634 -10.159
  312    HE2  PHE  45           HE2      PHE  45  -5.751  10.409 -14.269
  313    HZ   PHE  45           HZ       PHE  45  -6.011  10.948 -11.863
  314    HA   PRO  46           HA       PRO  46  -2.505   3.113 -16.958
  315   1HB   PRO  46          2HB       PRO  46  -2.574   4.898 -19.188
  316   2HB   PRO  46          1HB       PRO  46  -3.662   3.546 -18.858
  317   1HG   PRO  46          2HG       PRO  46  -4.250   6.367 -18.676
  318   2HG   PRO  46          1HG       PRO  46  -5.336   5.009 -18.362
  319   1HD   PRO  46          2HD       PRO  46  -4.137   6.787 -16.436
  320   2HD   PRO  46          1HD       PRO  46  -5.225   5.416 -16.128
  321    H    GLU  47           H        GLU  47  -1.397   6.236 -16.180
  322    HA   GLU  47           HA       GLU  47   0.887   6.641 -17.750
  323   1HB   GLU  47          2HB       GLU  47   0.411   7.157 -14.805
  324   2HB   GLU  47          1HB       GLU  47   1.857   7.711 -15.651
  325   1HG   GLU  47          2HG       GLU  47   0.703   9.281 -16.888
  326   2HG   GLU  47          1HG       GLU  47  -0.792   8.344 -16.882
  327    H    GLY  48           H        GLY  48   0.371   4.374 -15.107
  328   1HA   GLY  48          2HA       GLY  48   1.683   2.596 -14.323
  329   2HA   GLY  48          1HA       GLY  48   2.423   2.591 -15.923
  330    H    LEU  49           H        LEU  49   2.614   5.559 -14.176
  331    HA   LEU  49           HA       LEU  49   5.017   5.068 -12.688
  332   1HB   LEU  49          2HB       LEU  49   5.558   5.017 -15.355
  333   2HB   LEU  49          1HB       LEU  49   5.751   6.738 -15.029
  334    HG   LEU  49           HG       LEU  49   7.070   4.585 -13.356
  335   1HD1  LEU  49          1HD1      LEU  49   9.136   5.129 -14.618
  336   2HD1  LEU  49          2HD1      LEU  49   8.193   6.166 -15.690
  337   3HD1  LEU  49          3HD1      LEU  49   7.899   4.427 -15.661
  338   1HD2  LEU  49          1HD2      LEU  49   8.555   6.542 -12.756
  339   2HD2  LEU  49          2HD2      LEU  49   6.887   6.713 -12.211
  340   3HD2  LEU  49          3HD2      LEU  49   7.441   7.583 -13.642
  341    H    PHE  50           H        PHE  50   2.977   6.387 -11.706
  342    HA   PHE  50           HA       PHE  50   3.297   9.273 -12.279
  343   1HB   PHE  50          2HB       PHE  50   1.369   9.568 -10.718
  344   2HB   PHE  50          1HB       PHE  50   1.003   8.544 -12.097
  345    HD1  PHE  50           HD1      PHE  50   3.099   6.736  -9.835
  346    HD2  PHE  50           HD2      PHE  50  -0.956   8.026 -10.425
  347    HE1  PHE  50           HE1      PHE  50   2.307   4.985  -8.291
  348    HE2  PHE  50           HE2      PHE  50  -1.738   6.265  -8.869
  349    HZ   PHE  50           HZ       PHE  50  -0.100   4.743  -7.801
  350    H    TYR  51           H        TYR  51   2.411   8.716  -9.021
  351    HA   TYR  51           HA       TYR  51   5.238   9.197  -8.176
  352   1HB   TYR  51          2HB       TYR  51   2.795  10.761  -7.660
  353   2HB   TYR  51          1HB       TYR  51   3.748  10.416  -6.216
  354    HD1  TYR  51           HD1      TYR  51   6.310  10.813  -6.376
  355    HD2  TYR  51           HD2      TYR  51   3.450  12.509  -9.097
  356    HE1  TYR  51           HE1      TYR  51   7.960  12.538  -7.031
  357    HE2  TYR  51           HE2      TYR  51   5.102  14.239  -9.752
  358    HH   TYR  51           HH       TYR  51   7.209  15.320  -8.538
  359    H    GLU  52           H        GLU  52   4.991   6.717  -7.999
  360    HA   GLU  52           HA       GLU  52   3.516   5.846  -5.582
  361   1HB   GLU  52          2HB       GLU  52   4.805   3.605  -6.342
  362   2HB   GLU  52          1HB       GLU  52   3.296   4.111  -7.079
  363   1HG   GLU  52          2HG       GLU  52   4.390   5.025  -8.976
  364   2HG   GLU  52          1HG       GLU  52   5.956   5.035  -8.166
  365    H    PHE  53           H        PHE  53   4.573   5.149  -3.679
  366    HA   PHE  53           HA       PHE  53   7.549   5.373  -3.638
  367   1HB   PHE  53          2HB       PHE  53   5.639   7.159  -2.352
  368   2HB   PHE  53          1HB       PHE  53   6.704   6.400  -1.169
  369    HD1  PHE  53           HD1      PHE  53   9.123   6.752  -1.230
  370    HD2  PHE  53           HD2      PHE  53   6.538   8.625  -4.109
  371    HE1  PHE  53           HE1      PHE  53  10.967   8.266  -1.904
  372    HE2  PHE  53           HE2      PHE  53   8.382  10.138  -4.779
  373    HZ   PHE  53           HZ       PHE  53  10.596   9.958  -3.678
  374    H    GLU  54           H        GLU  54   8.272   4.663  -1.259
  375    HA   GLU  54           HA       GLU  54   7.362   1.923  -0.964
  376   1HB   GLU  54          2HB       GLU  54   9.720   2.929  -0.494
  377   2HB   GLU  54          1HB       GLU  54   9.043   3.377   1.072
  378   1HG   GLU  54          2HG       GLU  54   8.475   1.054   1.543
  379   2HG   GLU  54          1HG       GLU  54   9.005   0.565  -0.067
  380    H    GLY  55           H        GLY  55   5.723   1.214   0.297
  381   1HA   GLY  55          2HA       GLY  55   4.070   1.172   1.963
  382   2HA   GLY  55          1HA       GLY  55   5.075   2.301   2.871
  383    H    ARG  56           H        ARG  56   4.520   3.567  -0.180
  384    HA   ARG  56           HA       ARG  56   1.943   4.851   0.529
  385   1HB   ARG  56          2HB       ARG  56   4.519   6.379   0.034
  386   2HB   ARG  56          1HB       ARG  56   2.916   7.116   0.074
  387   1HG   ARG  56          2HG       ARG  56   2.633   6.152   2.396
  388   2HG   ARG  56          1HG       ARG  56   4.336   5.694   2.339
  389   1HD   ARG  56          2HD       ARG  56   4.351   8.352   1.529
  390   2HD   ARG  56          1HD       ARG  56   3.130   8.325   2.797
  391    HE   ARG  56           HE       ARG  56   5.889   8.333   3.283
  392   1HH1  ARG  56          1HH2      ARG  56   3.207   6.281   4.041
  393   2HH1  ARG  56          2HH2      ARG  56   3.974   5.592   5.431
  394   1HH2  ARG  56          2HH1      ARG  56   6.874   7.447   5.091
  395   2HH2  ARG  56          1HH1      ARG  56   6.038   6.251   6.026
  396    H    LYS  57           H        LYS  57   1.377   6.433  -1.385
  397    HA   LYS  57           HA       LYS  57   2.538   5.975  -3.965
  398   1HB   LYS  57          2HB       LYS  57   0.596   4.656  -4.925
  399   2HB   LYS  57          1HB       LYS  57   1.630   3.739  -3.829
  400   1HG   LYS  57          2HG       LYS  57  -0.047   4.521  -1.983
  401   2HG   LYS  57          1HG       LYS  57  -1.127   4.840  -3.339
  402   1HD   LYS  57          2HD       LYS  57   0.262   2.197  -3.267
  403   2HD   LYS  57          1HD       LYS  57  -1.061   2.458  -2.131
  404   1HE   LYS  57          2HE       LYS  57  -2.165   3.451  -4.420
  405   2HE   LYS  57          1HE       LYS  57  -1.128   2.182  -5.074
  406   1HZ   LYS  57          1HZ       LYS  57  -2.697   0.755  -4.480
  407   2HZ   LYS  57          2HZ       LYS  57  -3.565   1.946  -3.635
  408   3HZ   LYS  57          3HZ       LYS  57  -2.325   1.083  -2.858
  409    H    TYR  58           H        TYR  58   1.920   7.710  -5.176
  410    HA   TYR  58           HA       TYR  58  -0.780   8.879  -4.716
  411   1HB   TYR  58          2HB       TYR  58   1.800  10.472  -4.704
  412   2HB   TYR  58          1HB       TYR  58   0.173  11.143  -4.571
  413    HD1  TYR  58           HD1      TYR  58   2.963   9.814  -2.785
  414    HD2  TYR  58           HD2      TYR  58  -1.312  10.236  -2.624
  415    HE1  TYR  58           HE1      TYR  58   3.017   9.421  -0.338
  416    HE2  TYR  58           HE2      TYR  58  -1.255   9.843  -0.174
  417    HH   TYR  58           HH       TYR  58   1.328  10.151   1.677
  418    H    CYS  59           H        CYS  59  -1.554  10.101  -6.490
  419    HA   CYS  59           HA       CYS  59  -0.106   9.563  -9.040
  420   1HB   CYS  59          2HB       CYS  59  -2.363  10.141 -10.066
  421   2HB   CYS  59          1HB       CYS  59  -2.343   8.670  -9.089
  422    H    GLU  60           H        GLU  60  -0.980  11.489 -10.685
  423    HA   GLU  60           HA       GLU  60   0.455  13.820  -9.856
  424   1HB   GLU  60          2HB       GLU  60  -0.050  13.121 -12.247
  425   2HB   GLU  60          1HB       GLU  60  -1.691  13.717 -11.996
  426   1HG   GLU  60          2HG       GLU  60  -1.042  15.915 -12.006
  427   2HG   GLU  60          1HG       GLU  60   0.501  15.572 -11.223
  428    H    HIS  61           H        HIS  61  -2.529  12.678  -8.849
  429    HA   HIS  61           HA       HIS  61  -3.847  15.282  -8.556
  430   1HB   HIS  61          2HB       HIS  61  -5.572  13.798  -8.661
  431   2HB   HIS  61          1HB       HIS  61  -4.559  12.451  -8.162
  432    HD2  HIS  61           HD2      HIS  61  -6.161  15.570  -6.245
  433    HE1  HIS  61           HE1      HIS  61  -6.221  12.203  -3.701
  434    HE2  HIS  61           HE2      HIS  61  -6.851  14.651  -3.903
  435    H    ASP  62           H        ASP  62  -2.965  12.820  -6.093
  436    HA   ASP  62           HA       ASP  62  -3.066  14.676  -3.932
  437   1HB   ASP  62          2HB       ASP  62  -2.252  11.909  -4.327
  438   2HB   ASP  62          1HB       ASP  62  -1.188  12.740  -3.193
  439    H    PHE  63           H        PHE  63  -0.460  13.754  -6.124
  440    HA   PHE  63           HA       PHE  63   1.596  15.140  -4.651
  441   1HB   PHE  63          2HB       PHE  63   1.583  13.380  -6.772
  442   2HB   PHE  63          1HB       PHE  63   2.044  14.897  -7.542
  443    HD1  PHE  63           HD1      PHE  63   4.169  15.933  -7.097
  444    HD2  PHE  63           HD2      PHE  63   2.894  12.518  -4.823
  445    HE1  PHE  63           HE1      PHE  63   6.440  15.734  -6.119
  446    HE2  PHE  63           HE2      PHE  63   5.164  12.317  -3.849
  447    HZ   PHE  63           HZ       PHE  63   6.937  13.927  -4.496
  448    H    GLN  64           H        GLN  64  -0.534  16.113  -7.389
  449    HA   GLN  64           HA       GLN  64   0.795  18.690  -7.624
  450   1HB   GLN  64          2HB       GLN  64  -0.916  19.305  -9.161
  451   2HB   GLN  64          1HB       GLN  64  -0.658  17.584  -9.429
  452   1HG   GLN  64          2HG       GLN  64  -2.606  17.043  -8.060
  453   2HG   GLN  64          1HG       GLN  64  -2.835  18.742  -7.659
  454   1HE2  GLN  64          1HE2      GLN  64  -2.660  16.574 -10.537
  455   2HE2  GLN  64          2HE2      GLN  64  -3.775  17.465 -11.457
  456    H    MET  65           H        MET  65  -1.522  17.330  -5.501
  457    HA   MET  65           HA       MET  65  -2.825  19.745  -4.621
  458   1HB   MET  65          2HB       MET  65  -3.527  17.318  -4.118
  459   2HB   MET  65          1HB       MET  65  -2.256  17.317  -2.896
  460   1HG   MET  65          2HG       MET  65  -4.204  19.590  -2.902
  461   2HG   MET  65          1HG       MET  65  -4.742  18.030  -2.279
  462   1HE   MET  65          1HE       MET  65  -3.303  21.276  -1.498
  463   2HE   MET  65          2HE       MET  65  -3.163  21.058   0.244
  464   3HE   MET  65          3HE       MET  65  -4.673  20.654  -0.567
  465    H    LEU  66           H        LEU  66   0.093  17.982  -3.678
  466    HA   LEU  66           HA       LEU  66   0.824  19.833  -1.542
  467   1HB   LEU  66          2HB       LEU  66   2.844  18.165  -3.030
  468   2HB   LEU  66          1HB       LEU  66   2.767  18.538  -1.309
  469    HG   LEU  66           HG       LEU  66   0.937  16.664  -2.829
  470   1HD1  LEU  66          1HD1      LEU  66   3.198  15.776  -2.334
  471   2HD1  LEU  66          2HD1      LEU  66   1.952  14.935  -1.412
  472   3HD1  LEU  66          3HD1      LEU  66   2.960  16.152  -0.627
  473   1HD2  LEU  66          1HD2      LEU  66  -0.421  17.675  -1.149
  474   2HD2  LEU  66          2HD2      LEU  66   0.899  17.685   0.020
  475   3HD2  LEU  66          3HD2      LEU  66   0.131  16.163  -0.429
  476    H    PHE  67           H        PHE  67   1.057  19.683  -4.962
  477    HA   PHE  67           HA       PHE  67   1.807  21.212  -6.542
  478   1HB   PHE  67          2HB       PHE  67   0.910  22.866  -4.755
  479   2HB   PHE  67          1HB       PHE  67   2.601  23.090  -4.313
  480    HD1  PHE  67           HD1      PHE  67   4.141  24.258  -5.762
  481    HD2  PHE  67           HD2      PHE  67   0.118  23.449  -7.039
  482    HE1  PHE  67           HE1      PHE  67   4.438  25.803  -7.678
  483    HE2  PHE  67           HE2      PHE  67   0.417  24.996  -8.954
  484    HZ   PHE  67           HZ       PHE  67   2.576  26.172  -9.274
  485    H    ALA  68           H        ALA  68   3.555  19.856  -7.119
  486    HA   ALA  68           HA       ALA  68   6.208  20.893  -6.284
  487   1HB   ALA  68          1HB       ALA  68   5.394  17.972  -6.167
  488   2HB   ALA  68          2HB       ALA  68   5.843  18.990  -4.799
  489   3HB   ALA  68          3HB       ALA  68   7.051  18.554  -6.007
  490    HA   PRO  69           HA       PRO  69   5.547  20.159 -10.853
  491   1HB   PRO  69          2HB       PRO  69   6.909  22.657 -11.281
  492   2HB   PRO  69          1HB       PRO  69   5.208  22.280 -11.590
  493   1HG   PRO  69          2HG       PRO  69   6.293  23.924  -9.480
  494   2HG   PRO  69          1HG       PRO  69   4.595  23.555  -9.805
  495   1HD   PRO  69          2HD       PRO  69   6.235  22.560  -7.655
  496   2HD   PRO  69          1HD       PRO  69   4.534  22.181  -7.993
  497    H    CYS  70           H        CYS  70   7.118  18.731 -11.484
  498    HA   CYS  70           HA       CYS  70   9.863  18.919 -10.542
  499   1HB   CYS  70          2HB       CYS  70  10.220  16.993 -12.137
  500   2HB   CYS  70          1HB       CYS  70   8.941  16.723 -10.953
  501    HG   CYS  70           HG       CYS  70   7.825  17.904 -13.521
  Start of MODEL   14
    1    H    MET   1           1H       MET   1   3.158 -20.000  -5.689
    2    HA   MET   1           HA       MET   1   4.901 -21.724  -6.341
    3   1HB   MET   1          2HB       MET   1   5.346 -18.731  -6.308
    4   2HB   MET   1          1HB       MET   1   6.423 -19.831  -7.169
    5   1HG   MET   1          2HG       MET   1   4.901 -20.237  -8.814
    6   2HG   MET   1          1HG       MET   1   3.545 -20.264  -7.688
    7   1HE   MET   1          1HE       MET   1   3.180 -17.791  -6.228
    8   2HE   MET   1          2HE       MET   1   1.976 -18.531  -7.281
    9   3HE   MET   1          3HE       MET   1   2.270 -16.796  -7.374
   10    H    ALA   2           H        ALA   2   7.190 -22.199  -6.095
   11    HA   ALA   2           HA       ALA   2   8.604 -21.100  -3.760
   12   1HB   ALA   2          1HB       ALA   2   7.799 -24.022  -3.916
   13   2HB   ALA   2          2HB       ALA   2   7.270 -22.855  -2.706
   14   3HB   ALA   2          3HB       ALA   2   8.957 -23.364  -2.761
   15    H    ASN   3           H        ASN   3   8.682 -23.928  -5.960
   16    HA   ASN   3           HA       ASN   3  11.520 -23.209  -6.595
   17   1HB   ASN   3          2HB       ASN   3  11.799 -25.618  -7.172
   18   2HB   ASN   3          1HB       ASN   3  11.346 -25.384  -5.484
   19   1HD2  ASN   3          1HD2      ASN   3  10.258 -26.660  -8.577
   20   2HD2  ASN   3          2HD2      ASN   3   8.811 -27.336  -8.002
   21    H    ALA   4           H        ALA   4   8.537 -22.845  -7.813
   22    HA   ALA   4           HA       ALA   4   9.438 -23.324 -10.629
   23   1HB   ALA   4          1HB       ALA   4   6.638 -23.458  -9.466
   24   2HB   ALA   4          2HB       ALA   4   7.586 -24.815 -10.075
   25   3HB   ALA   4          3HB       ALA   4   7.013 -23.571 -11.186
   26    H    LEU   5           H        LEU   5  10.326 -21.163 -10.667
   27    HA   LEU   5           HA       LEU   5  10.247 -18.858 -11.080
   28   1HB   LEU   5          2HB       LEU   5   7.350 -19.360 -11.822
   29   2HB   LEU   5          1HB       LEU   5   8.393 -18.061 -12.398
   30    HG   LEU   5           HG       LEU   5   8.892 -21.009 -12.913
   31   1HD1  LEU   5          1HD1      LEU   5   7.772 -18.854 -14.732
   32   2HD1  LEU   5          2HD1      LEU   5   6.869 -20.220 -14.077
   33   3HD1  LEU   5          3HD1      LEU   5   8.179 -20.497 -15.225
   34   1HD2  LEU   5          1HD2      LEU   5  10.249 -18.441 -13.744
   35   2HD2  LEU   5          2HD2      LEU   5  10.408 -19.908 -14.709
   36   3HD2  LEU   5          3HD2      LEU   5  10.972 -19.886 -13.038
   37    H    ALA   6           H        ALA   6   8.121 -17.017 -10.738
   38    HA   ALA   6           HA       ALA   6   7.000 -17.367  -8.054
   39   1HB   ALA   6          1HB       ALA   6   8.172 -15.422  -7.081
   40   2HB   ALA   6          2HB       ALA   6   9.123 -15.254  -8.557
   41   3HB   ALA   6          3HB       ALA   6   9.320 -16.680  -7.538
   42    H    SER   7           H        SER   7   5.554 -17.035 -10.292
   43    HA   SER   7           HA       SER   7   5.073 -14.280 -11.033
   44   1HB   SER   7          2HB       SER   7   3.308 -16.731 -11.328
   45   2HB   SER   7          1HB       SER   7   3.027 -15.180 -12.113
   46    HG   SER   7           HG       SER   7   5.514 -16.470 -12.370
   47    H    ALA   8           H        ALA   8   4.806 -13.196  -8.998
   48    HA   ALA   8           HA       ALA   8   2.742 -14.001  -7.112
   49   1HB   ALA   8          1HB       ALA   8   4.124 -11.313  -7.373
   50   2HB   ALA   8          2HB       ALA   8   4.787 -12.686  -6.487
   51   3HB   ALA   8          3HB       ALA   8   3.285 -11.935  -5.952
   52    H    THR   9           H        THR   9   1.327 -11.754  -6.508
   53    HA   THR   9           HA       THR   9  -0.182 -11.181  -9.030
   54    HB   THR   9           HB       THR   9  -2.215 -11.095  -7.704
   55    HG1  THR   9           HG1      THR   9  -1.044 -10.257  -5.823
   56   1HG2  THR   9          1HG2      THR   9  -0.640 -13.520  -6.807
   57   2HG2  THR   9          2HG2      THR   9  -1.321 -13.341  -8.424
   58   3HG2  THR   9          3HG2      THR   9  -2.386 -13.401  -7.020
   59    H    CYS  10           H        CYS  10  -1.357  -9.064  -8.962
   60    HA   CYS  10           HA       CYS  10   0.440  -6.933  -8.252
   61   1HB   CYS  10          2HB       CYS  10  -1.161  -6.830 -10.134
   62   2HB   CYS  10          1HB       CYS  10  -2.477  -6.766  -8.972
   63    H    GLU  11           H        GLU  11  -0.070  -5.126  -6.830
   64    HA   GLU  11           HA       GLU  11  -1.028  -6.091  -4.222
   65   1HB   GLU  11          2HB       GLU  11   1.027  -4.833  -4.247
   66   2HB   GLU  11          1HB       GLU  11   0.277  -3.532  -5.171
   67   1HG   GLU  11          2HG       GLU  11   0.468  -2.925  -2.782
   68   2HG   GLU  11          1HG       GLU  11  -1.224  -3.045  -3.263
   69    H    ARG  12           H        ARG  12  -1.837  -3.463  -6.507
   70    HA   ARG  12           HA       ARG  12  -4.264  -2.852  -4.914
   71   1HB   ARG  12          2HB       ARG  12  -3.033  -1.458  -7.312
   72   2HB   ARG  12          1HB       ARG  12  -4.450  -0.891  -6.431
   73   1HG   ARG  12          2HG       ARG  12  -2.886   0.273  -5.228
   74   2HG   ARG  12          1HG       ARG  12  -2.750  -1.248  -4.358
   75   1HD   ARG  12          2HD       ARG  12  -0.976  -1.894  -6.104
   76   2HD   ARG  12          1HD       ARG  12  -0.960  -0.179  -6.538
   77    HE   ARG  12           HE       ARG  12  -0.628  -0.077  -3.826
   78   1HH1  ARG  12          1HH2      ARG  12   0.846  -1.938  -6.333
   79   2HH1  ARG  12          2HH2      ARG  12   2.395  -1.984  -5.561
   80   1HH2  ARG  12          2HH1      ARG  12   1.379  -0.134  -2.815
   81   2HH2  ARG  12          1HH1      ARG  12   2.695  -0.963  -3.573
   82    H    CYS  13           H        CYS  13  -3.863  -5.284  -6.752
   83    HA   CYS  13           HA       CYS  13  -6.554  -5.202  -7.869
   84   1HB   CYS  13          2HB       CYS  13  -6.120  -4.885 -10.067
   85   2HB   CYS  13          1HB       CYS  13  -4.576  -4.228  -9.532
   86    H    LYS  14           H        LYS  14  -3.540  -6.867  -7.254
   87    HA   LYS  14           HA       LYS  14  -3.108  -9.123  -6.815
   88   1HB   LYS  14          2HB       LYS  14  -5.648  -8.637  -5.804
   89   2HB   LYS  14          1HB       LYS  14  -5.877 -10.051  -6.828
   90   1HG   LYS  14          2HG       LYS  14  -5.247 -11.028  -4.800
   91   2HG   LYS  14          1HG       LYS  14  -3.707 -10.934  -5.653
   92   1HD   LYS  14          2HD       LYS  14  -3.181  -8.821  -4.496
   93   2HD   LYS  14          1HD       LYS  14  -4.730  -8.891  -3.656
   94   1HE   LYS  14          2HE       LYS  14  -3.317  -9.837  -2.064
   95   2HE   LYS  14          1HE       LYS  14  -3.883 -11.276  -2.911
   96   1HZ   LYS  14          1HZ       LYS  14  -1.548 -11.443  -2.755
   97   2HZ   LYS  14          2HZ       LYS  14  -1.315  -9.845  -3.284
   98   3HZ   LYS  14          3HZ       LYS  14  -1.880 -11.028  -4.366
   99    H    GLY  15           H        GLY  15  -3.133  -8.288  -9.528
  100   1HA   GLY  15          2HA       GLY  15  -4.508 -10.475 -10.991
  101   2HA   GLY  15          1HA       GLY  15  -3.682  -9.102 -11.730
  102    H    GLY  16           H        GLY  16  -3.412 -12.346 -11.318
  103   1HA   GLY  16          2HA       GLY  16  -0.728 -12.787 -10.516
  104   2HA   GLY  16          1HA       GLY  16  -1.630 -13.850 -11.598
  105    H    PHE  17           H        PHE  17   0.779 -11.388 -11.400
  106    HA   PHE  17           HA       PHE  17   1.025 -11.394 -14.382
  107   1HB   PHE  17          2HB       PHE  17   2.385  -9.250 -13.972
  108   2HB   PHE  17          1HB       PHE  17   0.645  -9.147 -13.761
  109    HD1  PHE  17           HD1      PHE  17   1.041  -7.087 -12.368
  110    HD2  PHE  17           HD2      PHE  17   2.516 -10.951 -11.177
  111    HE1  PHE  17           HE1      PHE  17   1.398  -6.255 -10.070
  112    HE2  PHE  17           HE2      PHE  17   2.867 -10.106  -8.887
  113    HZ   PHE  17           HZ       PHE  17   2.311  -7.762  -8.330
  114    H    ALA  18           H        ALA  18   3.593 -10.546 -14.707
  115    HA   ALA  18           HA       ALA  18   5.530 -11.754 -12.992
  116   1HB   ALA  18          1HB       ALA  18   5.370 -13.930 -13.545
  117   2HB   ALA  18          2HB       ALA  18   5.892 -13.499 -15.173
  118   3HB   ALA  18          3HB       ALA  18   4.172 -13.578 -14.790
  119    HA   PRO  19           HA       PRO  19   7.578 -10.687 -17.251
  120   1HB   PRO  19          2HB       PRO  19   5.571  -9.484 -18.934
  121   2HB   PRO  19          1HB       PRO  19   6.508 -10.953 -19.236
  122   1HG   PRO  19          2HG       PRO  19   3.719 -10.770 -18.569
  123   2HG   PRO  19          1HG       PRO  19   4.673 -12.237 -18.825
  124   1HD   PRO  19          2HD       PRO  19   3.662 -11.184 -16.330
  125   2HD   PRO  19          1HD       PRO  19   4.575 -12.681 -16.600
  126    H    ALA  20           H        ALA  20   8.606  -8.698 -17.254
  127    HA   ALA  20           HA       ALA  20   7.831  -6.606 -15.533
  128   1HB   ALA  20          1HB       ALA  20   9.542  -5.255 -16.659
  129   2HB   ALA  20          2HB       ALA  20   9.560  -6.382 -18.016
  130   3HB   ALA  20          3HB       ALA  20  10.127  -6.904 -16.430
  131    H    GLU  21           H        GLU  21   6.660  -7.343 -18.691
  132    HA   GLU  21           HA       GLU  21   5.770  -4.661 -19.376
  133   1HB   GLU  21          2HB       GLU  21   6.123  -6.316 -21.140
  134   2HB   GLU  21          1HB       GLU  21   4.940  -7.395 -20.404
  135   1HG   GLU  21          2HG       GLU  21   3.991  -4.642 -21.010
  136   2HG   GLU  21          1HG       GLU  21   4.321  -5.672 -22.402
  137    H    LYS  22           H        LYS  22   4.485  -7.403 -17.612
  138    HA   LYS  22           HA       LYS  22   1.856  -6.058 -17.323
  139   1HB   LYS  22          2HB       LYS  22   2.799  -8.812 -16.475
  140   2HB   LYS  22          1HB       LYS  22   1.163  -8.192 -16.245
  141   1HG   LYS  22          2HG       LYS  22   2.031  -7.818 -18.993
  142   2HG   LYS  22          1HG       LYS  22   2.152  -9.511 -18.523
  143   1HD   LYS  22          2HD       LYS  22  -0.181  -9.495 -17.762
  144   2HD   LYS  22          1HD       LYS  22  -0.314  -7.781 -18.162
  145   1HE   LYS  22          2HE       LYS  22   0.445  -9.874 -20.212
  146   2HE   LYS  22          1HE       LYS  22  -1.227  -9.399 -19.914
  147   1HZ   LYS  22          1HZ       LYS  22  -0.142  -7.016 -20.182
  148   2HZ   LYS  22          2HZ       LYS  22  -0.715  -7.904 -21.513
  149   3HZ   LYS  22          3HZ       LYS  22   0.945  -7.891 -21.147
  150    H    ILE  23           H        ILE  23   4.412  -7.491 -15.246
  151    HA   ILE  23           HA       ILE  23   3.263  -6.092 -12.926
  152    HB   ILE  23           HB       ILE  23   4.115  -8.459 -12.764
  153   1HG1  ILE  23          2HG1      ILE  23   5.676  -6.495 -11.085
  154   2HG1  ILE  23          1HG1      ILE  23   3.967  -6.823 -10.828
  155   1HG2  ILE  23          1HG2      ILE  23   6.861  -7.198 -12.860
  156   2HG2  ILE  23          2HG2      ILE  23   6.121  -7.910 -14.291
  157   3HG2  ILE  23          3HG2      ILE  23   6.447  -8.912 -12.880
  158   1HD1  ILE  23          1HD1      ILE  23   6.331  -8.543 -10.270
  159   2HD1  ILE  23          2HD1      ILE  23   4.883  -9.357 -10.865
  160   3HD1  ILE  23          3HD1      ILE  23   4.813  -8.399  -9.386
  161    H    VAL  24           H        VAL  24   4.335  -4.491 -11.795
  162    HA   VAL  24           HA       VAL  24   6.896  -3.438 -12.892
  163    HB   VAL  24           HB       VAL  24   4.583  -1.635 -12.127
  164   1HG1  VAL  24          1HG1      VAL  24   6.635  -0.457 -12.025
  165   2HG1  VAL  24          2HG1      VAL  24   5.993  -0.066 -13.619
  166   3HG1  VAL  24          3HG1      VAL  24   7.270  -1.270 -13.456
  167   1HG2  VAL  24          1HG2      VAL  24   3.828  -2.888 -14.064
  168   2HG2  VAL  24          2HG2      VAL  24   5.381  -2.663 -14.870
  169   3HG2  VAL  24          3HG2      VAL  24   4.312  -1.283 -14.611
  170    H    ASN  25           H        ASN  25   8.278  -2.929 -11.193
  171    HA   ASN  25           HA       ASN  25   7.049  -2.987  -8.471
  172   1HB   ASN  25          2HB       ASN  25   8.522  -4.776  -8.495
  173   2HB   ASN  25          1HB       ASN  25   9.687  -3.946  -9.529
  174   1HD2  ASN  25          1HD2      ASN  25   8.175  -3.417  -6.279
  175   2HD2  ASN  25          2HD2      ASN  25   9.619  -2.932  -5.532
  176    H    SER  26           H        SER  26   7.440  -1.355  -7.070
  177    HA   SER  26           HA       SER  26   9.458   0.708  -7.660
  178   1HB   SER  26          2HB       SER  26   7.962   2.506  -7.925
  179   2HB   SER  26          1HB       SER  26   7.187   1.227  -8.853
  180    HG   SER  26           HG       SER  26   5.576   1.789  -7.581
  181    H    ASN  27           H        ASN  27  10.278   1.438  -5.735
  182    HA   ASN  27           HA       ASN  27  10.472   1.833  -3.430
  183   1HB   ASN  27          2HB       ASN  27   8.609   2.660  -2.474
  184   2HB   ASN  27          1HB       ASN  27   7.733   2.189  -3.921
  185   1HD2  ASN  27          1HD2      ASN  27   6.037   0.743  -3.578
  186   2HD2  ASN  27          2HD2      ASN  27   5.883  -0.272  -2.225
  187    H    GLY  28           H        GLY  28   8.461  -0.940  -4.302
  188   1HA   GLY  28          2HA       GLY  28  10.072  -3.030  -3.604
  189   2HA   GLY  28          1HA       GLY  28   9.411  -2.541  -2.042
  190    H    GLU  29           H        GLU  29   6.927  -1.618  -3.660
  191    HA   GLU  29           HA       GLU  29   5.515  -4.198  -3.406
  192   1HB   GLU  29          2HB       GLU  29   4.767  -1.337  -3.543
  193   2HB   GLU  29          1HB       GLU  29   3.627  -2.446  -4.299
  194   1HG   GLU  29          2HG       GLU  29   2.896  -3.183  -2.297
  195   2HG   GLU  29          1HG       GLU  29   4.543  -3.487  -1.744
  196    H    LEU  30           H        LEU  30   3.793  -4.603  -5.214
  197    HA   LEU  30           HA       LEU  30   5.152  -4.325  -7.874
  198   1HB   LEU  30          2HB       LEU  30   3.291  -6.501  -6.853
  199   2HB   LEU  30          1HB       LEU  30   3.933  -6.409  -8.489
  200    HG   LEU  30           HG       LEU  30   5.325  -7.945  -7.295
  201   1HD1  LEU  30          1HD1      LEU  30   6.391  -5.989  -8.668
  202   2HD1  LEU  30          2HD1      LEU  30   7.431  -7.010  -7.676
  203   3HD1  LEU  30          3HD1      LEU  30   6.943  -5.419  -7.092
  204   1HD2  LEU  30          1HD2      LEU  30   6.211  -6.031  -5.212
  205   2HD2  LEU  30          2HD2      LEU  30   5.910  -7.764  -5.096
  206   3HD2  LEU  30          3HD2      LEU  30   4.561  -6.630  -5.035
  207    H    TYR  31           H        TYR  31   3.991  -3.301  -9.448
  208    HA   TYR  31           HA       TYR  31   1.040  -2.983  -9.086
  209   1HB   TYR  31          2HB       TYR  31   2.622  -0.770 -10.336
  210   2HB   TYR  31          1HB       TYR  31   1.071  -0.679  -9.522
  211    HD1  TYR  31           HD1      TYR  31   4.602  -1.692  -8.651
  212    HD2  TYR  31           HD2      TYR  31   1.081   0.499  -7.532
  213    HE1  TYR  31           HE1      TYR  31   5.759  -0.882  -6.623
  214    HE2  TYR  31           HE2      TYR  31   2.240   1.309  -5.492
  215    HH   TYR  31           HH       TYR  31   5.253   1.477  -5.042
  216    H    HIS  32           H        HIS  32  -0.105  -2.827 -11.066
  217    HA   HIS  32           HA       HIS  32   1.218  -4.082 -13.368
  218   1HB   HIS  32          2HB       HIS  32  -1.576  -3.289 -12.654
  219   2HB   HIS  32          1HB       HIS  32  -1.179  -3.378 -14.364
  220    HD2  HIS  32           HD2      HIS  32  -0.040  -6.062 -15.073
  221    HE1  HIS  32           HE1      HIS  32  -2.142  -7.922 -11.925
  222    HE2  HIS  32           HE2      HIS  32  -0.857  -8.331 -14.074
  223    H    GLU  33           H        GLU  33   0.361  -2.807 -15.561
  224    HA   GLU  33           HA       GLU  33   1.802  -0.281 -15.446
  225   1HB   GLU  33          2HB       GLU  33   0.096  -1.034 -17.799
  226   2HB   GLU  33          1HB       GLU  33   1.689  -0.276 -17.778
  227   1HG   GLU  33          2HG       GLU  33   2.433  -2.357 -18.332
  228   2HG   GLU  33          1HG       GLU  33   2.242  -2.684 -16.610
  229    H    GLN  34           H        GLN  34  -1.434  -1.353 -15.112
  230    HA   GLN  34           HA       GLN  34  -2.361   1.489 -14.992
  231   1HB   GLN  34          2HB       GLN  34  -3.885  -0.907 -16.069
  232   2HB   GLN  34          1HB       GLN  34  -4.574   0.699 -15.831
  233   1HG   GLN  34          2HG       GLN  34  -3.730   1.413 -17.793
  234   2HG   GLN  34          1HG       GLN  34  -2.108   0.902 -17.330
  235   1HE2  GLN  34          1HE2      GLN  34  -5.010  -0.062 -19.091
  236   2HE2  GLN  34          2HE2      GLN  34  -4.343  -1.457 -19.790
  237    H    CYS  35           H        CYS  35  -1.414   0.345 -12.730
  238    HA   CYS  35           HA       CYS  35  -3.907  -0.191 -11.170
  239   1HB   CYS  35          2HB       CYS  35  -1.334  -1.736 -11.163
  240   2HB   CYS  35          1HB       CYS  35  -2.310  -1.659  -9.702
  241    H    PHE  36           H        PHE  36  -1.027   1.551 -11.596
  242    HA   PHE  36           HA       PHE  36  -0.259   2.201  -8.951
  243   1HB   PHE  36          2HB       PHE  36  -0.132   3.703 -11.559
  244   2HB   PHE  36          1HB       PHE  36   0.399   4.452 -10.065
  245    HD1  PHE  36           HD1      PHE  36   0.842   1.360 -12.109
  246    HD2  PHE  36           HD2      PHE  36   2.549   4.055  -9.255
  247    HE1  PHE  36           HE1      PHE  36   3.008   0.168 -12.280
  248    HE2  PHE  36           HE2      PHE  36   4.719   2.866  -9.412
  249    HZ   PHE  36           HZ       PHE  36   4.949   0.919 -10.931
  250    H    VAL  37           H        VAL  37  -2.126   2.483  -7.630
  251    HA   VAL  37           HA       VAL  37  -4.039   4.631  -8.366
  252    HB   VAL  37           HB       VAL  37  -4.994   3.752  -6.011
  253   1HG1  VAL  37          1HG1      VAL  37  -6.457   2.262  -7.314
  254   2HG1  VAL  37          2HG1      VAL  37  -5.320   2.309  -8.661
  255   3HG1  VAL  37          3HG1      VAL  37  -6.181   3.770  -8.182
  256   1HG2  VAL  37          1HG2      VAL  37  -4.421   1.594  -5.466
  257   2HG2  VAL  37          2HG2      VAL  37  -2.891   2.093  -6.183
  258   3HG2  VAL  37          3HG2      VAL  37  -4.043   1.157  -7.130
  259    H    CYS  38           H        CYS  38  -4.675   6.189  -6.762
  260    HA   CYS  38           HA       CYS  38  -2.354   7.320  -5.336
  261   1HB   CYS  38          2HB       CYS  38  -3.972   8.684  -6.738
  262   2HB   CYS  38          1HB       CYS  38  -5.188   8.372  -5.505
  263    H    ALA  39           H        ALA  39  -2.057   6.980  -3.179
  264    HA   ALA  39           HA       ALA  39  -3.631   5.254  -1.601
  265   1HB   ALA  39          1HB       ALA  39  -1.559   5.587  -0.643
  266   2HB   ALA  39          2HB       ALA  39  -2.495   6.716   0.334
  267   3HB   ALA  39          3HB       ALA  39  -1.540   7.308  -1.025
  268    H    GLN  40           H        GLN  40  -4.446   8.370  -2.644
  269    HA   GLN  40           HA       GLN  40  -6.371   8.705  -0.378
  270   1HB   GLN  40          2HB       GLN  40  -5.453  10.866  -2.286
  271   2HB   GLN  40          1HB       GLN  40  -6.316  11.067  -0.759
  272   1HG   GLN  40          2HG       GLN  40  -4.065   9.605  -0.033
  273   2HG   GLN  40          1HG       GLN  40  -3.446  10.727  -1.242
  274   1HE2  GLN  40          1HE2      GLN  40  -2.519  12.411  -0.064
  275   2HE2  GLN  40          2HE2      GLN  40  -3.285  13.237   1.209
  276    H    CYS  41           H        CYS  41  -6.210   9.768  -3.820
  277    HA   CYS  41           HA       CYS  41  -9.106   9.543  -4.054
  278   1HB   CYS  41          2HB       CYS  41  -8.821  10.259  -6.334
  279   2HB   CYS  41          1HB       CYS  41  -7.689  11.187  -5.355
  280    H    PHE  42           H        PHE  42  -6.601   7.307  -4.153
  281    HA   PHE  42           HA       PHE  42  -6.437   5.090  -4.890
  282   1HB   PHE  42          2HB       PHE  42  -9.449   5.255  -4.598
  283   2HB   PHE  42          1HB       PHE  42  -8.493   3.773  -4.660
  284    HD1  PHE  42           HD1      PHE  42 -10.054   5.993  -2.471
  285    HD2  PHE  42           HD2      PHE  42  -6.365   3.845  -2.962
  286    HE1  PHE  42           HE1      PHE  42  -9.633   6.156  -0.033
  287    HE2  PHE  42           HE2      PHE  42  -5.946   4.008  -0.524
  288    HZ   PHE  42           HZ       PHE  42  -7.580   5.164   0.940
  289    H    GLN  43           H        GLN  43  -6.883   7.243  -6.963
  290    HA   GLN  43           HA       GLN  43  -8.320   5.746  -9.076
  291   1HB   GLN  43          2HB       GLN  43  -8.602   8.224  -8.880
  292   2HB   GLN  43          1HB       GLN  43  -6.881   8.421  -9.210
  293   1HG   GLN  43          2HG       GLN  43  -8.129   8.738 -11.282
  294   2HG   GLN  43          1HG       GLN  43  -7.205   7.242 -11.392
  295   1HE2  GLN  43          1HE2      GLN  43 -10.492   8.533 -10.878
  296   2HE2  GLN  43          2HE2      GLN  43 -11.296   7.084 -11.245
  297    H    GLN  44           H        GLN  44  -7.186   4.329 -10.356
  298    HA   GLN  44           HA       GLN  44  -4.309   4.156 -10.104
  299   1HB   GLN  44          2HB       GLN  44  -4.444   2.170 -11.285
  300   2HB   GLN  44          1HB       GLN  44  -6.029   2.251 -10.553
  301   1HG   GLN  44          2HG       GLN  44  -5.357   3.119 -13.378
  302   2HG   GLN  44          1HG       GLN  44  -6.222   1.652 -12.930
  303   1HE2  GLN  44          1HE2      GLN  44  -8.151   2.325 -11.214
  304   2HE2  GLN  44          2HE2      GLN  44  -9.134   3.584 -11.787
  305    H    PHE  45           H        PHE  45  -3.006   3.952 -12.206
  306    HA   PHE  45           HA       PHE  45  -3.881   5.836 -14.305
  307   1HB   PHE  45          2HB       PHE  45  -1.568   6.329 -12.430
  308   2HB   PHE  45          1HB       PHE  45  -1.630   7.068 -14.033
  309    HD1  PHE  45           HD1      PHE  45  -2.842   7.217 -10.634
  310    HD2  PHE  45           HD2      PHE  45  -3.688   8.427 -14.664
  311    HE1  PHE  45           HE1      PHE  45  -4.410   8.942  -9.786
  312    HE2  PHE  45           HE2      PHE  45  -5.253  10.158 -13.818
  313    HZ   PHE  45           HZ       PHE  45  -5.614  10.413 -11.378
  314    HA   PRO  46           HA       PRO  46  -1.708   2.954 -16.822
  315   1HB   PRO  46          2HB       PRO  46  -1.245   4.849 -18.897
  316   2HB   PRO  46          1HB       PRO  46  -2.557   3.670 -18.797
  317   1HG   PRO  46          2HG       PRO  46  -2.711   6.546 -18.456
  318   2HG   PRO  46          1HG       PRO  46  -4.033   5.371 -18.458
  319   1HD   PRO  46          2HD       PRO  46  -2.939   6.773 -16.199
  320   2HD   PRO  46          1HD       PRO  46  -4.234   5.558 -16.203
  321    H    GLU  47           H        GLU  47   0.332   3.618 -18.636
  322    HA   GLU  47           HA       GLU  47   2.607   4.174 -18.800
  323   1HB   GLU  47          2HB       GLU  47   1.672   6.348 -17.586
  324   2HB   GLU  47          1HB       GLU  47   2.553   5.683 -16.211
  325   1HG   GLU  47          2HG       GLU  47   4.186   7.003 -17.249
  326   2HG   GLU  47          1HG       GLU  47   4.513   5.407 -17.925
  327    H    GLY  48           H        GLY  48   1.451   3.417 -15.521
  328   1HA   GLY  48          2HA       GLY  48   2.124   1.563 -14.195
  329   2HA   GLY  48          1HA       GLY  48   3.395   1.214 -15.369
  330    H    LEU  49           H        LEU  49   2.974   4.440 -14.061
  331    HA   LEU  49           HA       LEU  49   4.758   4.243 -11.839
  332   1HB   LEU  49          2HB       LEU  49   6.339   3.711 -13.787
  333   2HB   LEU  49          1HB       LEU  49   6.108   5.381 -14.300
  334    HG   LEU  49           HG       LEU  49   6.831   4.882 -11.439
  335   1HD1  LEU  49          1HD1      LEU  49   9.243   4.885 -12.062
  336   2HD1  LEU  49          2HD1      LEU  49   8.782   4.751 -13.758
  337   3HD1  LEU  49          3HD1      LEU  49   8.406   3.444 -12.636
  338   1HD2  LEU  49          1HD2      LEU  49   8.260   6.981 -12.096
  339   2HD2  LEU  49          2HD2      LEU  49   6.516   7.161 -11.912
  340   3HD2  LEU  49          3HD2      LEU  49   7.223   7.024 -13.522
  341    H    PHE  50           H        PHE  50   4.272   6.015 -10.662
  342    HA   PHE  50           HA       PHE  50   4.007   8.626 -12.009
  343   1HB   PHE  50          2HB       PHE  50   1.855   9.150 -10.974
  344   2HB   PHE  50          1HB       PHE  50   1.705   7.734 -12.000
  345    HD1  PHE  50           HD1      PHE  50   3.458   6.609  -9.161
  346    HD2  PHE  50           HD2      PHE  50  -0.463   7.870 -10.390
  347    HE1  PHE  50           HE1      PHE  50   2.456   5.375  -7.264
  348    HE2  PHE  50           HE2      PHE  50  -1.453   6.630  -8.491
  349    HZ   PHE  50           HZ       PHE  50   0.011   5.384  -6.929
  350    H    TYR  51           H        TYR  51   2.676   9.343  -9.192
  351    HA   TYR  51           HA       TYR  51   5.314   9.874  -7.966
  352   1HB   TYR  51          2HB       TYR  51   2.681  11.129  -7.905
  353   2HB   TYR  51          1HB       TYR  51   3.354  10.936  -6.287
  354    HD1  TYR  51           HD1      TYR  51   5.957  11.485  -6.110
  355    HD2  TYR  51           HD2      TYR  51   3.311  13.027  -9.121
  356    HE1  TYR  51           HE1      TYR  51   7.520  13.361  -6.518
  357    HE2  TYR  51           HE2      TYR  51   4.873  14.910  -9.529
  358    HH   TYR  51           HH       TYR  51   6.724  16.118  -8.031
  359    H    GLU  52           H        GLU  52   5.088   7.279  -7.816
  360    HA   GLU  52           HA       GLU  52   3.619   6.353  -5.467
  361   1HB   GLU  52          2HB       GLU  52   4.290   4.212  -6.098
  362   2HB   GLU  52          1HB       GLU  52   4.340   5.048  -7.647
  363   1HG   GLU  52          2HG       GLU  52   6.420   4.011  -7.642
  364   2HG   GLU  52          1HG       GLU  52   6.826   5.584  -6.960
  365    H    PHE  53           H        PHE  53   4.861   5.193  -3.668
  366    HA   PHE  53           HA       PHE  53   7.607   6.114  -3.186
  367   1HB   PHE  53          2HB       PHE  53   5.422   7.675  -2.236
  368   2HB   PHE  53          1HB       PHE  53   6.118   6.861  -0.835
  369    HD1  PHE  53           HD1      PHE  53   8.482   7.205  -0.219
  370    HD2  PHE  53           HD2      PHE  53   6.693   9.325  -3.504
  371    HE1  PHE  53           HE1      PHE  53  10.383   8.796  -0.230
  372    HE2  PHE  53           HE2      PHE  53   8.594  10.912  -3.512
  373    HZ   PHE  53           HZ       PHE  53  10.440  10.648  -1.876
  374    H    GLU  54           H        GLU  54   8.320   5.321  -0.925
  375    HA   GLU  54           HA       GLU  54   7.698   2.510  -0.726
  376   1HB   GLU  54          2HB       GLU  54   9.114   2.684   1.398
  377   2HB   GLU  54          1HB       GLU  54   9.906   3.160  -0.103
  378   1HG   GLU  54          2HG       GLU  54  10.229   5.257   0.658
  379   2HG   GLU  54          1HG       GLU  54   8.521   5.426   1.060
  380    H    GLY  55           H        GLY  55   5.864   1.729   0.154
  381   1HA   GLY  55          2HA       GLY  55   4.215   1.355   1.799
  382   2HA   GLY  55          1HA       GLY  55   5.014   2.557   2.814
  383    H    ARG  56           H        ARG  56   4.717   4.171   0.029
  384    HA   ARG  56           HA       ARG  56   1.910   5.054   0.573
  385   1HB   ARG  56          2HB       ARG  56   3.897   7.069  -0.379
  386   2HB   ARG  56          1HB       ARG  56   2.494   7.281   0.667
  387   1HG   ARG  56          2HG       ARG  56   3.734   6.072   2.484
  388   2HG   ARG  56          1HG       ARG  56   5.153   6.049   1.435
  389   1HD   ARG  56          2HD       ARG  56   4.201   8.714   1.435
  390   2HD   ARG  56          1HD       ARG  56   4.183   8.189   3.115
  391    HE   ARG  56           HE       ARG  56   6.500   8.950   1.710
  392   1HH1  ARG  56          1HH2      ARG  56   5.381   6.188   3.467
  393   2HH1  ARG  56          2HH2      ARG  56   6.977   5.612   3.813
  394   1HH2  ARG  56          2HH1      ARG  56   8.565   8.209   2.170
  395   2HH2  ARG  56          1HH1      ARG  56   8.771   6.753   3.086
  396    H    LYS  57           H        LYS  57   1.208   6.547  -1.368
  397    HA   LYS  57           HA       LYS  57   2.401   5.986  -3.950
  398   1HB   LYS  57          2HB       LYS  57   0.295   4.774  -4.793
  399   2HB   LYS  57          1HB       LYS  57   1.396   3.828  -3.791
  400   1HG   LYS  57          2HG       LYS  57  -0.067   4.607  -1.797
  401   2HG   LYS  57          1HG       LYS  57  -1.252   5.053  -3.022
  402   1HD   LYS  57          2HD       LYS  57  -0.054   2.341  -3.257
  403   2HD   LYS  57          1HD       LYS  57  -1.167   2.599  -1.913
  404   1HE   LYS  57          2HE       LYS  57  -2.442   3.813  -4.087
  405   2HE   LYS  57          1HE       LYS  57  -1.731   2.345  -4.760
  406   1HZ   LYS  57          1HZ       LYS  57  -3.035   2.057  -2.182
  407   2HZ   LYS  57          2HZ       LYS  57  -3.053   1.027  -3.532
  408   3HZ   LYS  57          3HZ       LYS  57  -4.062   2.392  -3.490
  409    H    TYR  58           H        TYR  58   1.927   7.768  -5.146
  410    HA   TYR  58           HA       TYR  58  -0.742   9.041  -4.827
  411   1HB   TYR  58          2HB       TYR  58   1.893  10.527  -4.614
  412   2HB   TYR  58          1HB       TYR  58   0.298  11.278  -4.625
  413    HD1  TYR  58           HD1      TYR  58   2.832   9.686  -2.628
  414    HD2  TYR  58           HD2      TYR  58  -1.367  10.611  -2.769
  415    HE1  TYR  58           HE1      TYR  58   2.667   9.318  -0.184
  416    HE2  TYR  58           HE2      TYR  58  -1.525  10.241  -0.322
  417    HH   TYR  58           HH       TYR  58   0.912  10.281   1.706
  418    H    CYS  59           H        CYS  59  -1.369  10.280  -6.635
  419    HA   CYS  59           HA       CYS  59   0.247   9.764  -9.092
  420   1HB   CYS  59          2HB       CYS  59  -1.927  10.383 -10.261
  421   2HB   CYS  59          1HB       CYS  59  -1.994   8.899  -9.307
  422    H    GLU  60           H        GLU  60  -0.437  11.763 -10.742
  423    HA   GLU  60           HA       GLU  60   0.936  14.036  -9.691
  424   1HB   GLU  60          2HB       GLU  60   0.638  13.469 -12.149
  425   2HB   GLU  60          1HB       GLU  60  -1.016  14.064 -12.012
  426   1HG   GLU  60          2HG       GLU  60   0.601  15.794 -12.855
  427   2HG   GLU  60          1HG       GLU  60  -0.233  16.274 -11.377
  428    H    HIS  61           H        HIS  61  -2.261  12.945  -9.228
  429    HA   HIS  61           HA       HIS  61  -3.538  15.522  -8.858
  430   1HB   HIS  61          2HB       HIS  61  -5.245  14.027  -9.096
  431   2HB   HIS  61          1HB       HIS  61  -4.265  12.681  -8.528
  432    HD2  HIS  61           HD2      HIS  61  -6.006  15.797  -6.729
  433    HE1  HIS  61           HE1      HIS  61  -6.174  12.451  -4.161
  434    HE2  HIS  61           HE2      HIS  61  -6.814  14.892  -4.420
  435    H    ASP  62           H        ASP  62  -2.935  13.031  -6.366
  436    HA   ASP  62           HA       ASP  62  -3.182  14.750  -4.158
  437   1HB   ASP  62          2HB       ASP  62  -2.664  12.091  -4.478
  438   2HB   ASP  62          1HB       ASP  62  -1.117  12.676  -3.883
  439    H    PHE  63           H        PHE  63  -0.350  14.043  -6.142
  440    HA   PHE  63           HA       PHE  63   1.476  15.502  -4.459
  441   1HB   PHE  63          2HB       PHE  63   1.703  13.788  -6.631
  442   2HB   PHE  63          1HB       PHE  63   2.266  15.334  -7.262
  443    HD1  PHE  63           HD1      PHE  63   4.290  16.376  -6.427
  444    HD2  PHE  63           HD2      PHE  63   2.776  12.778  -4.634
  445    HE1  PHE  63           HE1      PHE  63   6.409  16.111  -5.168
  446    HE2  PHE  63           HE2      PHE  63   4.897  12.510  -3.378
  447    HZ   PHE  63           HZ       PHE  63   6.713  14.179  -3.644
  448    H    GLN  64           H        GLN  64  -0.455  16.401  -7.343
  449    HA   GLN  64           HA       GLN  64   0.720  19.095  -7.326
  450   1HB   GLN  64          2HB       GLN  64  -0.654  19.577  -9.192
  451   2HB   GLN  64          1HB       GLN  64  -0.224  17.881  -9.405
  452   1HG   GLN  64          2HG       GLN  64  -2.379  17.236  -8.333
  453   2HG   GLN  64          1HG       GLN  64  -2.812  18.935  -8.217
  454   1HE2  GLN  64          1HE2      GLN  64  -4.337  17.013  -9.766
  455   2HE2  GLN  64          2HE2      GLN  64  -4.219  17.462 -11.398
  456    H    MET  65           H        MET  65  -1.316  17.536  -5.343
  457    HA   MET  65           HA       MET  65  -3.231  19.724  -4.860
  458   1HB   MET  65          2HB       MET  65  -3.604  17.117  -4.545
  459   2HB   MET  65          1HB       MET  65  -2.826  17.399  -2.988
  460   1HG   MET  65          2HG       MET  65  -4.498  19.272  -2.615
  461   2HG   MET  65          1HG       MET  65  -5.351  18.692  -4.046
  462   1HE   MET  65          1HE       MET  65  -5.604  18.791  -0.501
  463   2HE   MET  65          2HE       MET  65  -6.960  17.673  -0.396
  464   3HE   MET  65          3HE       MET  65  -6.968  18.942  -1.618
  465    H    LEU  66           H        LEU  66  -0.334  18.255  -3.533
  466    HA   LEU  66           HA       LEU  66  -0.210  20.053  -1.214
  467   1HB   LEU  66          2HB       LEU  66   2.196  18.612  -2.310
  468   2HB   LEU  66          1HB       LEU  66   1.745  18.897  -0.630
  469    HG   LEU  66           HG       LEU  66   0.420  16.958  -2.542
  470   1HD1  LEU  66          1HD1      LEU  66   2.046  16.506  -0.021
  471   2HD1  LEU  66          2HD1      LEU  66   2.610  16.219  -1.667
  472   3HD1  LEU  66          3HD1      LEU  66   1.297  15.248  -1.003
  473   1HD2  LEU  66          1HD2      LEU  66  -0.233  17.796   0.295
  474   2HD2  LEU  66          2HD2      LEU  66  -0.789  16.267  -0.382
  475   3HD2  LEU  66          3HD2      LEU  66  -1.305  17.790  -1.106
  476    H    PHE  67           H        PHE  67   1.855  19.526  -4.065
  477    HA   PHE  67           HA       PHE  67   1.790  22.100  -5.122
  478   1HB   PHE  67          2HB       PHE  67   3.032  22.318  -2.683
  479   2HB   PHE  67          1HB       PHE  67   4.413  22.027  -3.735
  480    HD1  PHE  67           HD1      PHE  67   5.169  23.675  -5.297
  481    HD2  PHE  67           HD2      PHE  67   1.485  24.244  -3.160
  482    HE1  PHE  67           HE1      PHE  67   5.075  26.026  -6.083
  483    HE2  PHE  67           HE2      PHE  67   1.392  26.593  -3.948
  484    HZ   PHE  67           HZ       PHE  67   3.187  27.484  -5.409
  485    H    ALA  68           H        ALA  68   2.047  21.016  -7.067
  486    HA   ALA  68           HA       ALA  68   4.791  20.020  -7.637
  487   1HB   ALA  68          1HB       ALA  68   3.226  18.086  -7.067
  488   2HB   ALA  68          2HB       ALA  68   4.018  17.989  -8.639
  489   3HB   ALA  68          3HB       ALA  68   2.332  18.497  -8.531
  490    HA   PRO  69           HA       PRO  69   2.967  22.953 -10.781
  491   1HB   PRO  69          2HB       PRO  69   5.550  24.206 -10.882
  492   2HB   PRO  69          1HB       PRO  69   4.044  24.878 -10.243
  493   1HG   PRO  69          2HG       PRO  69   6.351  23.983  -8.753
  494   2HG   PRO  69          1HG       PRO  69   4.854  24.682  -8.124
  495   1HD   PRO  69          2HD       PRO  69   5.716  21.937  -7.973
  496   2HD   PRO  69          1HD       PRO  69   4.207  22.641  -7.356
  497    H    CYS  70           H        CYS  70   3.572  23.017 -13.049
  498    HA   CYS  70           HA       CYS  70   4.943  20.642 -13.976
  499   1HB   CYS  70          2HB       CYS  70   4.617  21.706 -16.249
  500   2HB   CYS  70          1HB       CYS  70   3.135  21.523 -15.312
  501    HG   CYS  70           HG       CYS  70   4.353  24.244 -14.802
  Start of MODEL   15
    1    H    MET   1           1H       MET   1   4.790 -22.073   2.727
    2    HA   MET   1           HA       MET   1   3.454 -22.150   0.904
    3   1HB   MET   1          2HB       MET   1   0.978 -21.909   1.056
    4   2HB   MET   1          1HB       MET   1   1.579 -23.252   2.026
    5   1HG   MET   1          2HG       MET   1   1.639 -21.574   3.987
    6   2HG   MET   1          1HG       MET   1   0.639 -20.540   2.967
    7   1HE   MET   1          1HE       MET   1  -0.245 -21.520   5.802
    8   2HE   MET   1          2HE       MET   1  -1.937 -21.900   5.487
    9   3HE   MET   1          3HE       MET   1  -1.203 -20.487   4.732
   10    H    ALA   2           H        ALA   2   2.724 -19.763   3.444
   11    HA   ALA   2           HA       ALA   2   2.071 -17.623   1.627
   12   1HB   ALA   2          1HB       ALA   2   2.369 -16.161   3.592
   13   2HB   ALA   2          2HB       ALA   2   3.123 -17.491   4.470
   14   3HB   ALA   2          3HB       ALA   2   1.423 -17.589   4.013
   15    H    ASN   3           H        ASN   3   5.074 -18.918   2.869
   16    HA   ASN   3           HA       ASN   3   6.586 -16.655   1.644
   17   1HB   ASN   3          2HB       ASN   3   7.007 -17.480   4.063
   18   2HB   ASN   3          1HB       ASN   3   7.774 -18.878   3.309
   19   1HD2  ASN   3          1HD2      ASN   3   7.973 -15.316   3.560
   20   2HD2  ASN   3          2HD2      ASN   3   9.598 -15.213   3.086
   21    H    ALA   4           H        ALA   4   8.717 -17.448   0.576
   22    HA   ALA   4           HA       ALA   4   9.713 -18.598  -1.204
   23   1HB   ALA   4          1HB       ALA   4   9.824 -20.936  -1.008
   24   2HB   ALA   4          2HB       ALA   4   8.187 -21.056  -0.365
   25   3HB   ALA   4          3HB       ALA   4   9.486 -20.426   0.646
   26    H    LEU   5           H        LEU   5   7.018 -17.349  -1.536
   27    HA   LEU   5           HA       LEU   5   5.453 -19.042  -3.287
   28   1HB   LEU   5          2HB       LEU   5   5.505 -16.062  -2.769
   29   2HB   LEU   5          1HB       LEU   5   4.421 -16.784  -3.959
   30    HG   LEU   5           HG       LEU   5   4.548 -17.744  -1.091
   31   1HD1  LEU   5          1HD1      LEU   5   2.519 -16.374  -0.706
   32   2HD1  LEU   5          2HD1      LEU   5   2.687 -15.685  -2.320
   33   3HD1  LEU   5          3HD1      LEU   5   3.913 -15.366  -1.093
   34   1HD2  LEU   5          1HD2      LEU   5   2.145 -18.429  -1.797
   35   2HD2  LEU   5          2HD2      LEU   5   3.488 -19.363  -2.454
   36   3HD2  LEU   5          3HD2      LEU   5   2.697 -18.138  -3.446
   37    H    ALA   6           H        ALA   6   5.951 -19.567  -5.353
   38    HA   ALA   6           HA       ALA   6   8.181 -18.225  -6.716
   39   1HB   ALA   6          1HB       ALA   6   7.849 -20.701  -6.819
   40   2HB   ALA   6          2HB       ALA   6   7.902 -19.953  -8.415
   41   3HB   ALA   6          3HB       ALA   6   6.355 -20.432  -7.716
   42    H    SER   7           H        SER   7   5.540 -16.822  -6.209
   43    HA   SER   7           HA       SER   7   5.287 -15.666  -8.899
   44   1HB   SER   7          2HB       SER   7   3.683 -17.617  -8.858
   45   2HB   SER   7          1HB       SER   7   2.835 -16.820  -7.536
   46    HG   SER   7           HG       SER   7   3.107 -16.056 -10.232
   47    H    ALA   8           H        ALA   8   3.492 -13.854  -8.743
   48    HA   ALA   8           HA       ALA   8   3.190 -12.732  -6.034
   49   1HB   ALA   8          1HB       ALA   8   4.757 -11.299  -8.204
   50   2HB   ALA   8          2HB       ALA   8   5.412 -11.912  -6.686
   51   3HB   ALA   8          3HB       ALA   8   4.258 -10.579  -6.672
   52    H    THR   9           H        THR   9   1.691 -10.894  -6.034
   53    HA   THR   9           HA       THR   9   0.074 -10.711  -8.546
   54    HB   THR   9           HB       THR   9  -1.947 -10.571  -7.155
   55    HG1  THR   9           HG1      THR   9  -0.673  -9.689  -5.335
   56   1HG2  THR   9          1HG2      THR   9  -1.065 -12.806  -7.876
   57   2HG2  THR   9          2HG2      THR   9  -2.025 -12.871  -6.398
   58   3HG2  THR   9          3HG2      THR   9  -0.265 -12.943  -6.309
   59    H    CYS  10           H        CYS  10  -1.154  -8.677  -8.727
   60    HA   CYS  10           HA       CYS  10   0.462  -6.372  -8.237
   61   1HB   CYS  10          2HB       CYS  10  -1.318  -6.691 -10.026
   62   2HB   CYS  10          1HB       CYS  10  -2.496  -6.339  -8.772
   63    H    GLU  11           H        GLU  11  -0.251  -4.435  -7.024
   64    HA   GLU  11           HA       GLU  11  -0.946  -5.207  -4.275
   65   1HB   GLU  11          2HB       GLU  11   0.911  -3.683  -4.599
   66   2HB   GLU  11          1HB       GLU  11  -0.100  -2.585  -5.541
   67   1HG   GLU  11          2HG       GLU  11   0.128  -1.725  -3.263
   68   2HG   GLU  11          1HG       GLU  11  -1.537  -2.245  -3.520
   69    H    ARG  12           H        ARG  12  -2.153  -2.758  -6.605
   70    HA   ARG  12           HA       ARG  12  -4.555  -2.319  -4.990
   71   1HB   ARG  12          2HB       ARG  12  -5.124  -0.648  -6.635
   72   2HB   ARG  12          1HB       ARG  12  -3.393  -0.525  -6.323
   73   1HG   ARG  12          2HG       ARG  12  -3.013  -0.804  -8.517
   74   2HG   ARG  12          1HG       ARG  12  -3.687  -2.426  -8.402
   75   1HD   ARG  12          2HD       ARG  12  -5.513  -0.044  -8.648
   76   2HD   ARG  12          1HD       ARG  12  -4.765  -0.742 -10.082
   77    HE   ARG  12           HE       ARG  12  -5.871  -2.924  -8.781
   78   1HH1  ARG  12          1HH2      ARG  12  -6.981   0.153  -9.885
   79   2HH1  ARG  12          2HH2      ARG  12  -8.594  -0.396 -10.190
   80   1HH2  ARG  12          2HH1      ARG  12  -7.968  -3.648  -9.176
   81   2HH2  ARG  12          1HH1      ARG  12  -9.152  -2.545  -9.789
   82    H    CYS  13           H        CYS  13  -3.685  -4.457  -7.567
   83    HA   CYS  13           HA       CYS  13  -6.590  -5.063  -7.972
   84   1HB   CYS  13          2HB       CYS  13  -6.304  -5.125 -10.224
   85   2HB   CYS  13          1HB       CYS  13  -4.874  -4.153  -9.893
   86    H    LYS  14           H        LYS  14  -3.468  -6.339  -7.128
   87    HA   LYS  14           HA       LYS  14  -2.819  -8.501  -6.490
   88   1HB   LYS  14          2HB       LYS  14  -5.411  -8.065  -5.481
   89   2HB   LYS  14          1HB       LYS  14  -5.443  -9.677  -6.185
   90   1HG   LYS  14          2HG       LYS  14  -4.669 -10.130  -4.031
   91   2HG   LYS  14          1HG       LYS  14  -3.159  -9.979  -4.928
   92   1HD   LYS  14          2HD       LYS  14  -3.362  -7.432  -4.277
   93   2HD   LYS  14          1HD       LYS  14  -4.421  -8.045  -3.007
   94   1HE   LYS  14          2HE       LYS  14  -2.448  -8.265  -1.867
   95   2HE   LYS  14          1HE       LYS  14  -2.362  -9.786  -2.756
   96   1HZ   LYS  14          1HZ       LYS  14  -0.429  -8.995  -3.504
   97   2HZ   LYS  14          2HZ       LYS  14  -0.780  -7.398  -3.040
   98   3HZ   LYS  14          3HZ       LYS  14  -1.359  -8.003  -4.519
   99    H    GLY  15           H        GLY  15  -3.048  -8.025  -9.273
  100   1HA   GLY  15          2HA       GLY  15  -4.333 -10.464 -10.375
  101   2HA   GLY  15          1HA       GLY  15  -3.654  -9.140 -11.323
  102    H    GLY  16           H        GLY  16  -3.136 -12.281 -10.649
  103   1HA   GLY  16          2HA       GLY  16  -0.401 -12.490  -9.935
  104   2HA   GLY  16          1HA       GLY  16  -1.274 -13.688 -10.893
  105    H    PHE  17           H        PHE  17   1.121 -11.278 -10.968
  106    HA   PHE  17           HA       PHE  17   1.145 -11.355 -13.959
  107   1HB   PHE  17          2HB       PHE  17   2.620  -9.227 -13.649
  108   2HB   PHE  17          1HB       PHE  17   0.879  -9.090 -13.492
  109    HD1  PHE  17           HD1      PHE  17   1.124  -7.021 -12.157
  110    HD2  PHE  17           HD2      PHE  17   2.795 -10.749 -10.814
  111    HE1  PHE  17           HE1      PHE  17   1.430  -6.075  -9.901
  112    HE2  PHE  17           HE2      PHE  17   3.090  -9.792  -8.558
  113    HZ   PHE  17           HZ       PHE  17   2.405  -7.463  -8.102
  114    H    ALA  18           H        ALA  18   3.670 -10.579 -14.535
  115    HA   ALA  18           HA       ALA  18   5.717 -11.790 -12.926
  116   1HB   ALA  18          1HB       ALA  18   5.441 -13.960 -13.459
  117   2HB   ALA  18          2HB       ALA  18   5.912 -13.544 -15.106
  118   3HB   ALA  18          3HB       ALA  18   4.207 -13.572 -14.656
  119    HA   PRO  19           HA       PRO  19   7.437 -10.831 -17.399
  120   1HB   PRO  19          2HB       PRO  19   5.330  -9.329 -18.713
  121   2HB   PRO  19          1HB       PRO  19   6.146 -10.798 -19.266
  122   1HG   PRO  19          2HG       PRO  19   3.473 -10.578 -18.259
  123   2HG   PRO  19          1HG       PRO  19   4.328 -12.057 -18.715
  124   1HD   PRO  19          2HD       PRO  19   3.632 -11.163 -16.067
  125   2HD   PRO  19          1HD       PRO  19   4.476 -12.652 -16.527
  126    H    ALA  20           H        ALA  20   8.563  -8.875 -17.709
  127    HA   ALA  20           HA       ALA  20   8.454  -6.887 -15.716
  128   1HB   ALA  20          1HB       ALA  20   9.916  -5.564 -17.181
  129   2HB   ALA  20          2HB       ALA  20   9.484  -6.585 -18.553
  130   3HB   ALA  20          3HB       ALA  20  10.399  -7.259 -17.204
  131    H    GLU  21           H        GLU  21   6.458  -7.251 -18.518
  132    HA   GLU  21           HA       GLU  21   5.645  -4.444 -18.651
  133   1HB   GLU  21          2HB       GLU  21   4.138  -6.803 -19.801
  134   2HB   GLU  21          1HB       GLU  21   4.143  -5.134 -20.368
  135   1HG   GLU  21          2HG       GLU  21   5.627  -6.009 -21.884
  136   2HG   GLU  21          1HG       GLU  21   6.769  -5.634 -20.595
  137    H    LYS  22           H        LYS  22   4.253  -7.489 -17.450
  138    HA   LYS  22           HA       LYS  22   1.956  -6.081 -16.291
  139   1HB   LYS  22          2HB       LYS  22   2.810  -8.968 -15.925
  140   2HB   LYS  22          1HB       LYS  22   1.223  -8.287 -15.571
  141   1HG   LYS  22          2HG       LYS  22   2.507  -8.423 -18.320
  142   2HG   LYS  22          1HG       LYS  22   1.212  -9.470 -17.741
  143   1HD   LYS  22          2HD       LYS  22  -0.253  -7.504 -17.445
  144   2HD   LYS  22          1HD       LYS  22   1.039  -6.454 -18.025
  145   1HE   LYS  22          2HE       LYS  22   1.012  -8.100 -20.100
  146   2HE   LYS  22          1HE       LYS  22  -0.636  -8.412 -19.551
  147   1HZ   LYS  22          1HZ       LYS  22   0.552  -5.807 -20.319
  148   2HZ   LYS  22          2HZ       LYS  22  -0.946  -5.949 -19.528
  149   3HZ   LYS  22          3HZ       LYS  22  -0.730  -6.623 -21.073
  150    H    ILE  23           H        ILE  23   5.076  -7.283 -15.286
  151    HA   ILE  23           HA       ILE  23   4.422  -6.718 -12.444
  152    HB   ILE  23           HB       ILE  23   6.306  -8.491 -13.835
  153   1HG1  ILE  23          2HG1      ILE  23   4.467  -9.150 -12.254
  154   2HG1  ILE  23          1HG1      ILE  23   6.045  -9.799 -11.814
  155   1HG2  ILE  23          1HG2      ILE  23   7.977  -8.305 -11.875
  156   2HG2  ILE  23          2HG2      ILE  23   7.299  -6.700 -11.614
  157   3HG2  ILE  23          3HG2      ILE  23   8.084  -7.087 -13.145
  158   1HD1  ILE  23          1HD1      ILE  23   5.219  -8.969  -9.772
  159   2HD1  ILE  23          2HD1      ILE  23   4.509  -7.545 -10.529
  160   3HD1  ILE  23          3HD1      ILE  23   6.257  -7.661 -10.336
  161    H    VAL  24           H        VAL  24   4.789  -4.673 -11.813
  162    HA   VAL  24           HA       VAL  24   7.218  -3.272 -12.849
  163    HB   VAL  24           HB       VAL  24   4.671  -1.775 -12.239
  164   1HG1  VAL  24          1HG1      VAL  24   6.769  -0.515 -12.470
  165   2HG1  VAL  24          2HG1      VAL  24   5.684  -0.154 -13.811
  166   3HG1  VAL  24          3HG1      VAL  24   7.047  -1.246 -14.051
  167   1HG2  VAL  24          1HG2      VAL  24   5.440  -3.077 -14.875
  168   2HG2  VAL  24          2HG2      VAL  24   4.188  -1.847 -14.707
  169   3HG2  VAL  24          3HG2      VAL  24   3.996  -3.411 -13.918
  170    H    ASN  25           H        ASN  25   7.913  -4.277 -10.691
  171    HA   ASN  25           HA       ASN  25   6.794  -3.053  -8.282
  172   1HB   ASN  25          2HB       ASN  25   7.566  -5.205  -7.850
  173   2HB   ASN  25          1HB       ASN  25   9.002  -5.010  -8.853
  174   1HD2  ASN  25          1HD2      ASN  25   7.615  -3.234  -6.014
  175   2HD2  ASN  25          2HD2      ASN  25   9.075  -3.195  -5.149
  176    H    SER  26           H        SER  26   7.594  -1.305  -7.222
  177    HA   SER  26           HA       SER  26  10.292  -0.305  -7.712
  178   1HB   SER  26          2HB       SER  26   9.726   1.008  -9.466
  179   2HB   SER  26          1HB       SER  26   8.007   0.695  -9.234
  180    HG   SER  26           HG       SER  26   8.479   2.886  -8.885
  181    H    ASN  27           H        ASN  27  10.850   1.353  -6.187
  182    HA   ASN  27           HA       ASN  27  10.734   2.472  -4.139
  183   1HB   ASN  27          2HB       ASN  27   8.135   2.798  -5.319
  184   2HB   ASN  27          1HB       ASN  27   7.949   2.559  -3.583
  185   1HD2  ASN  27          1HD2      ASN  27   8.856   4.843  -6.003
  186   2HD2  ASN  27          2HD2      ASN  27   9.434   6.050  -4.959
  187    H    GLY  28           H        GLY  28   7.759   0.574  -3.759
  188   1HA   GLY  28          2HA       GLY  28   9.017  -1.543  -2.244
  189   2HA   GLY  28          1HA       GLY  28   8.286  -0.350  -1.169
  190    H    GLU  29           H        GLU  29   6.992  -1.187  -4.346
  191    HA   GLU  29           HA       GLU  29   4.919  -2.925  -3.182
  192   1HB   GLU  29          2HB       GLU  29   4.478  -0.088  -3.763
  193   2HB   GLU  29          1HB       GLU  29   3.346  -1.139  -4.614
  194   1HG   GLU  29          2HG       GLU  29   2.419  -1.954  -2.653
  195   2HG   GLU  29          1HG       GLU  29   3.889  -1.673  -1.719
  196    H    LEU  30           H        LEU  30   3.341  -3.585  -5.026
  197    HA   LEU  30           HA       LEU  30   4.901  -3.827  -7.576
  198   1HB   LEU  30          2HB       LEU  30   3.357  -5.780  -5.946
  199   2HB   LEU  30          1HB       LEU  30   3.155  -5.888  -7.692
  200    HG   LEU  30           HG       LEU  30   5.600  -6.025  -7.973
  201   1HD1  LEU  30          1HD1      LEU  30   5.541  -5.830  -4.952
  202   2HD1  LEU  30          2HD1      LEU  30   6.435  -4.819  -6.086
  203   3HD1  LEU  30          3HD1      LEU  30   6.923  -6.492  -5.825
  204   1HD2  LEU  30          1HD2      LEU  30   5.863  -8.259  -6.644
  205   2HD2  LEU  30          2HD2      LEU  30   4.614  -8.157  -7.884
  206   3HD2  LEU  30          3HD2      LEU  30   4.181  -7.992  -6.183
  207    H    TYR  31           H        TYR  31   3.896  -3.046  -9.383
  208    HA   TYR  31           HA       TYR  31   0.930  -2.712  -9.303
  209   1HB   TYR  31          2HB       TYR  31   2.499  -0.608 -10.720
  210   2HB   TYR  31          1HB       TYR  31   0.964  -0.467  -9.876
  211    HD1  TYR  31           HD1      TYR  31   4.512  -1.372  -8.996
  212    HD2  TYR  31           HD2      TYR  31   1.010   0.886  -7.986
  213    HE1  TYR  31           HE1      TYR  31   5.716  -0.398  -7.074
  214    HE2  TYR  31           HE2      TYR  31   2.208   1.865  -6.047
  215    HH   TYR  31           HH       TYR  31   5.494   1.792  -5.701
  216    H    HIS  32           H        HIS  32  -0.050  -2.763 -11.372
  217    HA   HIS  32           HA       HIS  32   1.397  -4.341 -13.381
  218   1HB   HIS  32          2HB       HIS  32  -1.415  -3.480 -12.907
  219   2HB   HIS  32          1HB       HIS  32  -0.950  -3.706 -14.586
  220    HD2  HIS  32           HD2      HIS  32   0.245  -6.447 -14.992
  221    HE1  HIS  32           HE1      HIS  32  -2.133  -8.020 -11.884
  222    HE2  HIS  32           HE2      HIS  32  -0.700  -8.619 -13.891
  223    H    GLU  33           H        GLU  33   0.825  -3.461 -15.764
  224    HA   GLU  33           HA       GLU  33   2.122  -0.857 -15.926
  225   1HB   GLU  33          2HB       GLU  33   1.399  -1.244 -18.468
  226   2HB   GLU  33          1HB       GLU  33   2.739  -2.153 -17.771
  227   1HG   GLU  33          2HG       GLU  33   1.343  -4.071 -17.372
  228   2HG   GLU  33          1HG       GLU  33  -0.118  -3.164 -17.759
  229    H    GLN  34           H        GLN  34  -0.959  -1.895 -15.296
  230    HA   GLN  34           HA       GLN  34  -2.079   0.773 -15.914
  231   1HB   GLN  34          2HB       GLN  34  -3.141  -1.861 -16.936
  232   2HB   GLN  34          1HB       GLN  34  -4.221  -0.491 -16.683
  233   1HG   GLN  34          2HG       GLN  34  -3.635   0.000 -18.840
  234   2HG   GLN  34          1HG       GLN  34  -2.244   0.745 -18.057
  235   1HE2  GLN  34          1HE2      GLN  34  -3.089  -2.689 -18.824
  236   2HE2  GLN  34          2HE2      GLN  34  -1.621  -3.021 -19.608
  237    H    CYS  35           H        CYS  35  -1.343   0.072 -13.417
  238    HA   CYS  35           HA       CYS  35  -3.962  -0.338 -12.059
  239   1HB   CYS  35          2HB       CYS  35  -1.431  -1.890 -11.596
  240   2HB   CYS  35          1HB       CYS  35  -2.579  -1.662 -10.289
  241    H    PHE  36           H        PHE  36  -0.993   1.302 -12.356
  242    HA   PHE  36           HA       PHE  36  -0.305   2.230  -9.835
  243   1HB   PHE  36          2HB       PHE  36  -0.458   3.632 -12.501
  244   2HB   PHE  36          1HB       PHE  36   0.067   4.494 -11.063
  245    HD1  PHE  36           HD1      PHE  36   0.691   1.134 -12.655
  246    HD2  PHE  36           HD2      PHE  36   2.348   4.588 -10.727
  247    HE1  PHE  36           HE1      PHE  36   2.965   0.176 -12.890
  248    HE2  PHE  36           HE2      PHE  36   4.621   3.631 -10.957
  249    HZ   PHE  36           HZ       PHE  36   4.931   1.424 -12.040
  250    H    VAL  37           H        VAL  37  -1.739   2.821  -8.238
  251    HA   VAL  37           HA       VAL  37  -3.910   4.750  -8.976
  252    HB   VAL  37           HB       VAL  37  -4.989   3.647  -6.803
  253   1HG1  VAL  37          1HG1      VAL  37  -6.031   3.755  -9.032
  254   2HG1  VAL  37          2HG1      VAL  37  -6.266   2.161  -8.317
  255   3HG1  VAL  37          3HG1      VAL  37  -5.045   2.395  -9.569
  256   1HG2  VAL  37          1HG2      VAL  37  -3.927   1.133  -7.948
  257   2HG2  VAL  37          2HG2      VAL  37  -4.287   1.542  -6.274
  258   3HG2  VAL  37          3HG2      VAL  37  -2.775   2.070  -7.004
  259    H    CYS  38           H        CYS  38  -4.684   6.029  -7.094
  260    HA   CYS  38           HA       CYS  38  -2.378   7.032  -5.522
  261   1HB   CYS  38          2HB       CYS  38  -3.891   8.582  -6.806
  262   2HB   CYS  38          1HB       CYS  38  -5.202   8.120  -5.727
  263    H    ALA  39           H        ALA  39  -2.127   6.341  -3.448
  264    HA   ALA  39           HA       ALA  39  -3.822   4.516  -2.128
  265   1HB   ALA  39          1HB       ALA  39  -1.370   5.607  -1.583
  266   2HB   ALA  39          2HB       ALA  39  -2.277   4.597  -0.461
  267   3HB   ALA  39          3HB       ALA  39  -2.364   6.353  -0.334
  268    H    GLN  40           H        GLN  40  -4.364   7.841  -2.662
  269    HA   GLN  40           HA       GLN  40  -6.271   7.983  -0.366
  270   1HB   GLN  40          2HB       GLN  40  -5.313  10.272  -2.101
  271   2HB   GLN  40          1HB       GLN  40  -6.144  10.374  -0.549
  272   1HG   GLN  40          2HG       GLN  40  -3.930   8.768  -0.007
  273   2HG   GLN  40          1HG       GLN  40  -3.299   9.992  -1.105
  274   1HE2  GLN  40          1HE2      GLN  40  -2.372  11.609   0.148
  275   2HE2  GLN  40          2HE2      GLN  40  -3.073  12.284   1.542
  276    H    CYS  41           H        CYS  41  -6.209   9.462  -3.639
  277    HA   CYS  41           HA       CYS  41  -9.116   9.259  -3.814
  278   1HB   CYS  41          2HB       CYS  41  -8.902  10.382  -5.917
  279   2HB   CYS  41          1HB       CYS  41  -7.693  11.099  -4.855
  280    H    PHE  42           H        PHE  42  -6.573   7.115  -4.415
  281    HA   PHE  42           HA       PHE  42  -6.460   5.029  -5.467
  282   1HB   PHE  42          2HB       PHE  42  -9.484   5.202  -5.352
  283   2HB   PHE  42          1HB       PHE  42  -8.523   3.737  -5.563
  284    HD1  PHE  42           HD1      PHE  42 -10.208   5.699  -3.188
  285    HD2  PHE  42           HD2      PHE  42  -6.586   3.447  -3.717
  286    HE1  PHE  42           HE1      PHE  42  -9.978   5.487  -0.728
  287    HE2  PHE  42           HE2      PHE  42  -6.359   3.237  -1.256
  288    HZ   PHE  42           HZ       PHE  42  -8.055   4.257   0.237
  289    H    GLN  43           H        GLN  43  -7.052   7.663  -7.063
  290    HA   GLN  43           HA       GLN  43  -8.412   6.839  -9.460
  291   1HB   GLN  43          2HB       GLN  43  -7.867   9.236  -8.763
  292   2HB   GLN  43          1HB       GLN  43  -6.211   8.918  -9.283
  293   1HG   GLN  43          2HG       GLN  43  -7.266   9.900 -11.175
  294   2HG   GLN  43          1HG       GLN  43  -7.231   8.172 -11.524
  295   1HE2  GLN  43          1HE2      GLN  43  -9.380  10.766 -10.289
  296   2HE2  GLN  43          2HE2      GLN  43 -10.826   9.984 -10.714
  297    H    GLN  44           H        GLN  44  -7.675   5.458 -11.008
  298    HA   GLN  44           HA       GLN  44  -4.940   4.425 -10.796
  299   1HB   GLN  44          2HB       GLN  44  -5.910   3.157 -12.968
  300   2HB   GLN  44          1HB       GLN  44  -6.240   2.616 -11.326
  301   1HG   GLN  44          2HG       GLN  44  -8.312   2.728 -12.664
  302   2HG   GLN  44          1HG       GLN  44  -8.361   3.884 -11.336
  303   1HE2  GLN  44          1HE2      GLN  44  -9.033   5.940 -11.972
  304   2HE2  GLN  44          2HE2      GLN  44  -8.843   6.592 -13.526
  305    H    PHE  45           H        PHE  45  -3.668   4.165 -12.873
  306    HA   PHE  45           HA       PHE  45  -4.138   6.232 -14.915
  307   1HB   PHE  45          2HB       PHE  45  -2.762   7.117 -12.810
  308   2HB   PHE  45          1HB       PHE  45  -1.430   6.311 -13.630
  309    HD1  PHE  45           HD1      PHE  45  -2.674   9.411 -13.200
  310    HD2  PHE  45           HD2      PHE  45  -1.864   6.707 -16.442
  311    HE1  PHE  45           HE1      PHE  45  -2.483  11.330 -14.757
  312    HE2  PHE  45           HE2      PHE  45  -1.673   8.628 -17.995
  313    HZ   PHE  45           HZ       PHE  45  -1.982  10.940 -17.154
  314    HA   PRO  46           HA       PRO  46  -2.593   2.411 -16.788
  315   1HB   PRO  46          2HB       PRO  46  -3.216   3.583 -19.332
  316   2HB   PRO  46          1HB       PRO  46  -4.067   2.280 -18.497
  317   1HG   PRO  46          2HG       PRO  46  -4.946   4.999 -18.857
  318   2HG   PRO  46          1HG       PRO  46  -5.783   3.694 -18.006
  319   1HD   PRO  46          2HD       PRO  46  -4.475   5.993 -16.862
  320   2HD   PRO  46          1HD       PRO  46  -5.311   4.679 -16.009
  321    H    GLU  47           H        GLU  47  -0.443   2.144 -17.195
  322    HA   GLU  47           HA       GLU  47   1.797   2.734 -17.646
  323   1HB   GLU  47          2HB       GLU  47   0.389   3.910 -20.067
  324   2HB   GLU  47          1HB       GLU  47   2.118   3.580 -19.960
  325   1HG   GLU  47          2HG       GLU  47   1.701   1.485 -20.675
  326   2HG   GLU  47          1HG       GLU  47   0.846   1.192 -19.161
  327    H    GLY  48           H        GLY  48   0.390   4.596 -15.961
  328   1HA   GLY  48          2HA       GLY  48   1.173   7.277 -16.906
  329   2HA   GLY  48          1HA       GLY  48   0.303   6.916 -15.418
  330    H    LEU  49           H        LEU  49   2.140   4.965 -14.356
  331    HA   LEU  49           HA       LEU  49   3.984   5.033 -12.886
  332   1HB   LEU  49          2HB       LEU  49   4.948   5.110 -15.416
  333   2HB   LEU  49          1HB       LEU  49   5.561   6.656 -14.833
  334    HG   LEU  49           HG       LEU  49   5.959   4.012 -13.400
  335   1HD1  LEU  49          1HD1      LEU  49   8.276   4.138 -14.212
  336   2HD1  LEU  49          2HD1      LEU  49   7.896   5.613 -15.101
  337   3HD1  LEU  49          3HD1      LEU  49   7.152   4.084 -15.570
  338   1HD2  LEU  49          1HD2      LEU  49   7.014   6.823 -12.971
  339   2HD2  LEU  49          2HD2      LEU  49   7.738   5.402 -12.217
  340   3HD2  LEU  49          3HD2      LEU  49   6.072   5.845 -11.845
  341    H    PHE  50           H        PHE  50   2.466   6.644 -11.783
  342    HA   PHE  50           HA       PHE  50   3.179   9.461 -12.007
  343   1HB   PHE  50          2HB       PHE  50   1.508   9.673 -10.113
  344   2HB   PHE  50          1HB       PHE  50   0.884   8.993 -11.609
  345    HD1  PHE  50           HD1      PHE  50   3.064   6.900  -9.460
  346    HD2  PHE  50           HD2      PHE  50  -0.993   7.957 -10.406
  347    HE1  PHE  50           HE1      PHE  50   2.256   4.931  -8.211
  348    HE2  PHE  50           HE2      PHE  50  -1.790   5.981  -9.148
  349    HZ   PHE  50           HZ       PHE  50  -0.165   4.465  -8.057
  350    H    TYR  51           H        TYR  51   2.556   9.105  -8.821
  351    HA   TYR  51           HA       TYR  51   5.457   9.105  -8.167
  352   1HB   TYR  51          2HB       TYR  51   3.224  10.822  -7.391
  353   2HB   TYR  51          1HB       TYR  51   4.115  10.217  -5.997
  354    HD1  TYR  51           HD1      TYR  51   6.622  10.491  -5.917
  355    HD2  TYR  51           HD2      TYR  51   4.157  12.494  -8.811
  356    HE1  TYR  51           HE1      TYR  51   8.457  12.095  -6.367
  357    HE2  TYR  51           HE2      TYR  51   5.993  14.101  -9.261
  358    HH   TYR  51           HH       TYR  51   8.079  14.963  -7.793
  359    H    GLU  52           H        GLU  52   4.953   6.629  -8.216
  360    HA   GLU  52           HA       GLU  52   3.462   5.520  -5.994
  361   1HB   GLU  52          2HB       GLU  52   4.357   3.398  -6.672
  362   2HB   GLU  52          1HB       GLU  52   4.081   4.306  -8.155
  363   1HG   GLU  52          2HG       GLU  52   6.578   5.087  -7.783
  364   2HG   GLU  52          1HG       GLU  52   6.674   3.612  -6.819
  365    H    PHE  53           H        PHE  53   4.262   4.884  -3.948
  366    HA   PHE  53           HA       PHE  53   7.112   5.617  -3.393
  367   1HB   PHE  53          2HB       PHE  53   4.719   6.792  -2.319
  368   2HB   PHE  53          1HB       PHE  53   5.580   5.963  -1.022
  369    HD1  PHE  53           HD1      PHE  53   7.511   6.910  -0.059
  370    HD2  PHE  53           HD2      PHE  53   6.079   8.388  -3.833
  371    HE1  PHE  53           HE1      PHE  53   9.168   8.751   0.031
  372    HE2  PHE  53           HE2      PHE  53   7.735  10.228  -3.739
  373    HZ   PHE  53           HZ       PHE  53   9.280  10.411  -1.808
  374    H    GLU  54           H        GLU  54   7.916   4.574  -1.335
  375    HA   GLU  54           HA       GLU  54   7.367   1.731  -1.419
  376   1HB   GLU  54          2HB       GLU  54   8.911   1.730   0.634
  377   2HB   GLU  54          1HB       GLU  54   9.603   2.335  -0.869
  378   1HG   GLU  54          2HG       GLU  54   9.993   4.347   0.062
  379   2HG   GLU  54          1HG       GLU  54   8.303   4.500   0.535
  380    H    GLY  55           H        GLY  55   5.668   0.776  -0.433
  381   1HA   GLY  55          2HA       GLY  55   4.131   0.245   1.279
  382   2HA   GLY  55          1HA       GLY  55   4.920   1.445   2.304
  383    H    ARG  56           H        ARG  56   4.410   3.140  -0.399
  384    HA   ARG  56           HA       ARG  56   1.564   3.808   0.195
  385   1HB   ARG  56          2HB       ARG  56   3.909   5.723   0.089
  386   2HB   ARG  56          1HB       ARG  56   2.234   6.253  -0.048
  387   1HG   ARG  56          2HG       ARG  56   1.773   5.832   2.160
  388   2HG   ARG  56          1HG       ARG  56   2.873   4.456   2.238
  389   1HD   ARG  56          2HD       ARG  56   3.860   7.303   1.985
  390   2HD   ARG  56          1HD       ARG  56   3.589   6.531   3.548
  391    HE   ARG  56           HE       ARG  56   5.197   4.726   2.186
  392   1HH1  ARG  56          1HH2      ARG  56   5.326   8.089   2.966
  393   2HH1  ARG  56          2HH2      ARG  56   7.054   8.134   3.047
  394   1HH2  ARG  56          2HH1      ARG  56   7.445   4.776   2.292
  395   2HH2  ARG  56          1HH1      ARG  56   8.252   6.264   2.666
  396    H    LYS  57           H        LYS  57   1.028   5.703  -1.585
  397    HA   LYS  57           HA       LYS  57   2.301   5.400  -4.164
  398   1HB   LYS  57          2HB       LYS  57   0.271   4.305  -5.253
  399   2HB   LYS  57          1HB       LYS  57   1.253   3.238  -4.248
  400   1HG   LYS  57          2HG       LYS  57  -0.383   3.966  -2.332
  401   2HG   LYS  57          1HG       LYS  57  -1.446   4.429  -3.659
  402   1HD   LYS  57          2HD       LYS  57  -0.193   1.748  -3.883
  403   2HD   LYS  57          1HD       LYS  57  -1.386   1.933  -2.598
  404   1HE   LYS  57          2HE       LYS  57  -2.452   3.215  -4.910
  405   2HE   LYS  57          1HE       LYS  57  -1.829   1.643  -5.417
  406   1HZ   LYS  57          1HZ       LYS  57  -3.105   1.231  -2.998
  407   2HZ   LYS  57          2HZ       LYS  57  -3.632   0.739  -4.537
  408   3HZ   LYS  57          3HZ       LYS  57  -4.140   2.229  -3.897
  409    H    TYR  58           H        TYR  58   1.827   7.274  -5.258
  410    HA   TYR  58           HA       TYR  58  -0.814   8.562  -4.778
  411   1HB   TYR  58          2HB       TYR  58   1.842  10.011  -4.558
  412   2HB   TYR  58          1HB       TYR  58   0.248  10.744  -4.398
  413    HD1  TYR  58           HD1      TYR  58   2.930   9.103  -2.700
  414    HD2  TYR  58           HD2      TYR  58  -1.313   9.794  -2.540
  415    HE1  TYR  58           HE1      TYR  58   2.923   8.511  -0.292
  416    HE2  TYR  58           HE2      TYR  58  -1.315   9.200  -0.131
  417    HH   TYR  58           HH       TYR  58   1.397   7.744   1.406
  418    H    CYS  59           H        CYS  59  -1.602   9.646  -6.544
  419    HA   CYS  59           HA       CYS  59  -0.040   9.390  -9.036
  420   1HB   CYS  59          2HB       CYS  59  -2.159  10.119 -10.139
  421   2HB   CYS  59          1HB       CYS  59  -2.379   8.679  -9.139
  422    H    GLU  60           H        GLU  60  -0.482  11.476 -10.543
  423    HA   GLU  60           HA       GLU  60   1.036  13.586  -9.418
  424   1HB   GLU  60          2HB       GLU  60   0.308  13.046 -11.925
  425   2HB   GLU  60          1HB       GLU  60  -0.958  14.219 -11.562
  426   1HG   GLU  60          2HG       GLU  60   0.931  15.419 -12.496
  427   2HG   GLU  60          1HG       GLU  60   0.828  15.808 -10.780
  428    H    HIS  61           H        HIS  61  -2.254  12.758  -8.920
  429    HA   HIS  61           HA       HIS  61  -3.226  15.434  -8.347
  430   1HB   HIS  61          2HB       HIS  61  -5.111  14.180  -8.608
  431   2HB   HIS  61          1HB       HIS  61  -4.278  12.686  -8.200
  432    HD2  HIS  61           HD2      HIS  61  -5.663  15.794  -6.111
  433    HE1  HIS  61           HE1      HIS  61  -5.964  12.307  -3.753
  434    HE2  HIS  61           HE2      HIS  61  -6.434  14.799  -3.826
  435    H    ASP  62           H        ASP  62  -2.747  12.712  -6.065
  436    HA   ASP  62           HA       ASP  62  -2.784  14.300  -3.736
  437   1HB   ASP  62          2HB       ASP  62  -2.455  11.613  -4.278
  438   2HB   ASP  62          1HB       ASP  62  -0.901  12.071  -3.594
  439    H    PHE  63           H        PHE  63  -0.041  13.361  -5.786
  440    HA   PHE  63           HA       PHE  63   1.943  14.605  -4.139
  441   1HB   PHE  63          2HB       PHE  63   1.997  12.974  -6.342
  442   2HB   PHE  63          1HB       PHE  63   2.535  14.512  -7.020
  443    HD1  PHE  63           HD1      PHE  63   4.665  15.465  -6.433
  444    HD2  PHE  63           HD2      PHE  63   3.194  11.991  -4.375
  445    HE1  PHE  63           HE1      PHE  63   6.881  15.159  -5.362
  446    HE2  PHE  63           HE2      PHE  63   5.410  11.685  -3.307
  447    HZ   PHE  63           HZ       PHE  63   7.254  13.269  -3.800
  448    H    GLN  64           H        GLN  64   0.113  15.847  -6.995
  449    HA   GLN  64           HA       GLN  64   1.535  18.387  -6.870
  450   1HB   GLN  64          2HB       GLN  64   0.157  19.123  -8.623
  451   2HB   GLN  64          1HB       GLN  64   0.247  17.388  -8.907
  452   1HG   GLN  64          2HG       GLN  64  -2.040  17.649  -9.042
  453   2HG   GLN  64          1HG       GLN  64  -1.904  17.416  -7.303
  454   1HE2  GLN  64          1HE2      GLN  64  -3.074  18.957  -6.163
  455   2HE2  GLN  64          2HE2      GLN  64  -3.310  20.565  -6.652
  456    H    MET  65           H        MET  65  -0.927  16.946  -5.058
  457    HA   MET  65           HA       MET  65  -2.346  19.340  -4.237
  458   1HB   MET  65          2HB       MET  65  -3.013  16.789  -3.988
  459   2HB   MET  65          1HB       MET  65  -2.101  16.904  -2.483
  460   1HG   MET  65          2HG       MET  65  -4.198  18.960  -3.158
  461   2HG   MET  65          1HG       MET  65  -4.653  17.423  -2.427
  462   1HE   MET  65          1HE       MET  65  -3.681  21.044  -0.258
  463   2HE   MET  65          2HE       MET  65  -4.958  20.498  -1.342
  464   3HE   MET  65          3HE       MET  65  -3.374  20.906  -1.996
  465    H    LEU  66           H        LEU  66   0.433  17.483  -3.115
  466    HA   LEU  66           HA       LEU  66   0.884  19.125  -0.739
  467   1HB   LEU  66          2HB       LEU  66   3.066  17.556  -2.101
  468   2HB   LEU  66          1HB       LEU  66   2.783  17.792  -0.377
  469    HG   LEU  66           HG       LEU  66   1.138  16.075  -2.254
  470   1HD1  LEU  66          1HD1      LEU  66   1.967  14.221  -0.869
  471   2HD1  LEU  66          2HD1      LEU  66   2.887  15.356   0.118
  472   3HD1  LEU  66          3HD1      LEU  66   3.316  15.111  -1.576
  473   1HD2  LEU  66          1HD2      LEU  66   0.044  15.392  -0.024
  474   2HD2  LEU  66          2HD2      LEU  66  -0.398  16.974  -0.663
  475   3HD2  LEU  66          3HD2      LEU  66   0.772  16.850   0.650
  476    H    PHE  67           H        PHE  67   1.589  19.233  -4.107
  477    HA   PHE  67           HA       PHE  67   2.732  20.742  -5.452
  478   1HB   PHE  67          2HB       PHE  67   2.017  22.442  -3.058
  479   2HB   PHE  67          1HB       PHE  67   2.858  23.117  -4.453
  480    HD1  PHE  67           HD1      PHE  67  -0.322  22.355  -3.066
  481    HD2  PHE  67           HD2      PHE  67   1.790  22.576  -6.802
  482    HE1  PHE  67           HE1      PHE  67  -2.478  22.543  -4.276
  483    HE2  PHE  67           HE2      PHE  67  -0.368  22.764  -8.010
  484    HZ   PHE  67           HZ       PHE  67  -2.501  22.746  -6.747
  485    H    ALA  68           H        ALA  68   4.485  19.040  -4.405
  486    HA   ALA  68           HA       ALA  68   6.501  20.091  -2.714
  487   1HB   ALA  68          1HB       ALA  68   6.120  17.718  -4.275
  488   2HB   ALA  68          2HB       ALA  68   7.162  17.961  -2.873
  489   3HB   ALA  68          3HB       ALA  68   7.764  18.319  -4.491
  490    HA   PRO  69           HA       PRO  69   8.836  21.082  -6.888
  491   1HB   PRO  69          2HB       PRO  69   6.550  21.812  -8.570
  492   2HB   PRO  69          1HB       PRO  69   7.910  20.745  -8.951
  493   1HG   PRO  69          2HG       PRO  69   5.264  19.924  -8.413
  494   2HG   PRO  69          1HG       PRO  69   6.688  18.874  -8.439
  495   1HD   PRO  69          2HD       PRO  69   5.123  19.747  -6.144
  496   2HD   PRO  69          1HD       PRO  69   6.431  18.553  -6.190
  497    H    CYS  70           H        CYS  70   9.276  22.844  -5.473
  498    HA   CYS  70           HA       CYS  70   7.520  24.927  -4.790
  499   1HB   CYS  70          2HB       CYS  70   9.767  24.540  -3.765
  500   2HB   CYS  70          1HB       CYS  70  10.512  25.180  -5.230
  501    HG   CYS  70           HG       CYS  70   8.776  27.345  -4.530
  Start of MODEL   16
    1    H    MET   1           1H       MET   1   5.293 -17.098   3.839
    2    HA   MET   1           HA       MET   1   6.415 -19.581   4.955
    3   1HB   MET   1          2HB       MET   1   5.170 -18.719   2.329
    4   2HB   MET   1          1HB       MET   1   5.930 -20.293   2.561
    5   1HG   MET   1          2HG       MET   1   3.680 -19.234   4.294
    6   2HG   MET   1          1HG       MET   1   3.442 -20.316   2.923
    7   1HE   MET   1          1HE       MET   1   2.906 -22.438   6.205
    8   2HE   MET   1          2HE       MET   1   2.145 -21.732   4.782
    9   3HE   MET   1          3HE       MET   1   2.684 -20.686   6.093
   10    H    ALA   2           H        ALA   2   7.000 -17.178   2.361
   11    HA   ALA   2           HA       ALA   2   8.974 -16.616   1.226
   12   1HB   ALA   2          1HB       ALA   2  10.888 -16.265   2.587
   13   2HB   ALA   2          2HB       ALA   2  10.438 -17.561   3.695
   14   3HB   ALA   2          3HB       ALA   2   9.522 -16.055   3.682
   15    H    ASN   3           H        ASN   3   7.951 -19.321   0.899
   16    HA   ASN   3           HA       ASN   3  10.485 -20.627   0.039
   17   1HB   ASN   3          2HB       ASN   3   9.650 -21.568   2.267
   18   2HB   ASN   3          1HB       ASN   3   8.256 -22.179   1.376
   19   1HD2  ASN   3          1HD2      ASN   3  11.861 -22.257   1.271
   20   2HD2  ASN   3          2HD2      ASN   3  11.953 -23.823   0.623
   21    H    ALA   4           H        ALA   4   7.237 -19.761  -0.539
   22    HA   ALA   4           HA       ALA   4   6.530 -21.772  -2.476
   23   1HB   ALA   4          1HB       ALA   4   4.855 -20.043  -3.239
   24   2HB   ALA   4          2HB       ALA   4   5.572 -18.923  -2.082
   25   3HB   ALA   4          3HB       ALA   4   4.789 -20.396  -1.513
   26    H    LEU   5           H        LEU   5   7.271 -18.331  -3.140
   27    HA   LEU   5           HA       LEU   5   8.391 -17.334  -4.937
   28   1HB   LEU   5          2HB       LEU   5  10.127 -19.123  -3.982
   29   2HB   LEU   5          1HB       LEU   5   9.843 -19.880  -5.547
   30    HG   LEU   5           HG       LEU   5  10.506 -16.942  -5.302
   31   1HD1  LEU   5          1HD1      LEU   5  12.335 -18.182  -4.245
   32   2HD1  LEU   5          2HD1      LEU   5  12.854 -17.580  -5.819
   33   3HD1  LEU   5          3HD1      LEU   5  12.416 -19.277  -5.626
   34   1HD2  LEU   5          1HD2      LEU   5  11.378 -17.464  -7.660
   35   2HD2  LEU   5          2HD2      LEU   5   9.629 -17.506  -7.452
   36   3HD2  LEU   5          3HD2      LEU   5  10.545 -19.011  -7.512
   37    H    ALA   6           H        ALA   6   6.570 -17.163  -6.309
   38    HA   ALA   6           HA       ALA   6   6.638 -18.974  -8.645
   39   1HB   ALA   6          1HB       ALA   6   4.996 -20.093  -7.271
   40   2HB   ALA   6          2HB       ALA   6   4.125 -19.235  -8.541
   41   3HB   ALA   6          3HB       ALA   6   4.185 -18.570  -6.909
   42    H    SER   7           H        SER   7   4.243 -16.605  -7.448
   43    HA   SER   7           HA       SER   7   5.178 -14.532  -9.278
   44   1HB   SER   7          2HB       SER   7   2.816 -16.256  -9.955
   45   2HB   SER   7          1HB       SER   7   2.779 -14.550 -10.389
   46    HG   SER   7           HG       SER   7   5.044 -16.120 -10.963
   47    H    ALA   8           H        ALA   8   4.753 -12.664  -8.219
   48    HA   ALA   8           HA       ALA   8   2.928 -12.615  -5.944
   49   1HB   ALA   8          1HB       ALA   8   3.567 -10.153  -5.912
   50   2HB   ALA   8          2HB       ALA   8   4.581 -10.480  -7.318
   51   3HB   ALA   8          3HB       ALA   8   4.921 -11.276  -5.782
   52    H    THR   9           H        THR   9   1.469 -10.431  -5.932
   53    HA   THR   9           HA       THR   9  -0.077 -10.429  -8.496
   54    HB   THR   9           HB       THR   9  -2.103 -10.009  -6.980
   55    HG1  THR   9           HG1      THR   9  -0.316 -11.070  -5.056
   56   1HG2  THR   9          1HG2      THR   9  -2.231 -12.471  -6.332
   57   2HG2  THR   9          2HG2      THR   9  -0.592 -12.627  -6.966
   58   3HG2  THR   9          3HG2      THR   9  -1.909 -12.143  -8.034
   59    H    CYS  10           H        CYS  10  -1.210  -8.427  -8.947
   60    HA   CYS  10           HA       CYS  10   0.350  -6.085  -8.475
   61   1HB   CYS  10          2HB       CYS  10  -1.216  -6.479 -10.405
   62   2HB   CYS  10          1HB       CYS  10  -2.541  -6.150  -9.302
   63    H    GLU  11           H        GLU  11  -0.244  -4.135  -7.347
   64    HA   GLU  11           HA       GLU  11  -1.192  -4.648  -4.654
   65   1HB   GLU  11          2HB       GLU  11   0.535  -3.010  -4.942
   66   2HB   GLU  11          1HB       GLU  11  -0.398  -2.142  -6.152
   67   1HG   GLU  11          2HG       GLU  11  -0.504  -0.945  -4.023
   68   2HG   GLU  11          1HG       GLU  11  -2.096  -1.598  -4.406
   69    H    ARG  12           H        ARG  12  -2.455  -2.783  -7.411
   70    HA   ARG  12           HA       ARG  12  -4.944  -2.218  -5.947
   71   1HB   ARG  12          2HB       ARG  12  -3.692  -0.624  -7.542
   72   2HB   ARG  12          1HB       ARG  12  -4.399  -1.581  -8.842
   73   1HG   ARG  12          2HG       ARG  12  -6.308  -0.801  -6.739
   74   2HG   ARG  12          1HG       ARG  12  -5.629   0.552  -7.638
   75   1HD   ARG  12          2HD       ARG  12  -6.742  -1.888  -9.028
   76   2HD   ARG  12          1HD       ARG  12  -7.757  -0.508  -8.610
   77    HE   ARG  12           HE       ARG  12  -5.608   0.615  -9.972
   78   1HH1  ARG  12          1HH2      ARG  12  -7.940  -1.865 -10.556
   79   2HH1  ARG  12          2HH2      ARG  12  -7.944  -1.637 -12.272
   80   1HH2  ARG  12          2HH1      ARG  12  -5.607   0.918 -12.209
   81   2HH2  ARG  12          1HH1      ARG  12  -6.625  -0.066 -13.205
   82    H    CYS  13           H        CYS  13  -3.982  -4.034  -8.866
   83    HA   CYS  13           HA       CYS  13  -6.752  -5.060  -9.098
   84   1HB   CYS  13          2HB       CYS  13  -6.281  -5.448 -11.299
   85   2HB   CYS  13          1HB       CYS  13  -5.012  -4.266 -10.999
   86    H    LYS  14           H        LYS  14  -3.733  -6.068  -7.783
   87    HA   LYS  14           HA       LYS  14  -3.019  -8.135  -6.922
   88   1HB   LYS  14          2HB       LYS  14  -6.026  -8.500  -6.781
   89   2HB   LYS  14          1HB       LYS  14  -4.867  -9.601  -6.042
   90   1HG   LYS  14          2HG       LYS  14  -4.791  -6.642  -5.455
   91   2HG   LYS  14          1HG       LYS  14  -5.856  -7.721  -4.556
   92   1HD   LYS  14          2HD       LYS  14  -2.891  -8.256  -4.861
   93   2HD   LYS  14          1HD       LYS  14  -3.549  -7.310  -3.527
   94   1HE   LYS  14          2HE       LYS  14  -3.804  -9.294  -2.465
   95   2HE   LYS  14          1HE       LYS  14  -5.179  -9.545  -3.540
   96   1HZ   LYS  14          1HZ       LYS  14  -3.968 -10.885  -4.929
   97   2HZ   LYS  14          2HZ       LYS  14  -3.278 -11.288  -3.430
   98   3HZ   LYS  14          3HZ       LYS  14  -2.475 -10.217  -4.477
   99    H    GLY  15           H        GLY  15  -3.086  -7.898  -9.753
  100   1HA   GLY  15          2HA       GLY  15  -4.183 -10.447 -10.767
  101   2HA   GLY  15          1HA       GLY  15  -3.389  -9.202 -11.734
  102    H    GLY  16           H        GLY  16  -2.978 -12.275 -10.734
  103   1HA   GLY  16          2HA       GLY  16  -0.325 -12.386  -9.720
  104   2HA   GLY  16          1HA       GLY  16  -1.108 -13.691 -10.613
  105    H    PHE  17           H        PHE  17   1.099 -11.032 -10.814
  106    HA   PHE  17           HA       PHE  17   1.455 -11.514 -13.736
  107   1HB   PHE  17          2HB       PHE  17   2.888  -9.348 -13.511
  108   2HB   PHE  17          1HB       PHE  17   1.137  -9.215 -13.501
  109    HD1  PHE  17           HD1      PHE  17   1.306  -7.027 -12.360
  110    HD2  PHE  17           HD2      PHE  17   2.814 -10.611 -10.528
  111    HE1  PHE  17           HE1      PHE  17   1.427  -5.867 -10.182
  112    HE2  PHE  17           HE2      PHE  17   2.929  -9.442  -8.356
  113    HZ   PHE  17           HZ       PHE  17   2.233  -7.079  -8.182
  114    H    ALA  18           H        ALA  18   4.031 -10.757 -14.149
  115    HA   ALA  18           HA       ALA  18   5.926 -11.783 -12.264
  116   1HB   ALA  18          1HB       ALA  18   4.554 -13.763 -13.875
  117   2HB   ALA  18          2HB       ALA  18   5.722 -14.001 -12.576
  118   3HB   ALA  18          3HB       ALA  18   6.282 -13.765 -14.231
  119    HA   PRO  19           HA       PRO  19   8.006 -11.323 -16.667
  120   1HB   PRO  19          2HB       PRO  19   6.033  -9.943 -18.288
  121   2HB   PRO  19          1HB       PRO  19   6.865 -11.469 -18.620
  122   1HG   PRO  19          2HG       PRO  19   4.127 -11.129 -17.857
  123   2HG   PRO  19          1HG       PRO  19   4.994 -12.652 -18.085
  124   1HD   PRO  19          2HD       PRO  19   4.107 -11.473 -15.609
  125   2HD   PRO  19          1HD       PRO  19   4.955 -13.014 -15.841
  126    H    ALA  20           H        ALA  20   9.144  -9.396 -17.195
  127    HA   ALA  20           HA       ALA  20   8.921  -7.213 -15.394
  128   1HB   ALA  20          1HB       ALA  20  10.536  -6.075 -16.880
  129   2HB   ALA  20          2HB       ALA  20  10.246  -7.296 -18.120
  130   3HB   ALA  20          3HB       ALA  20  11.000  -7.753 -16.592
  131    H    GLU  21           H        GLU  21   7.164  -7.864 -18.298
  132    HA   GLU  21           HA       GLU  21   6.455  -5.052 -18.773
  133   1HB   GLU  21          2HB       GLU  21   6.013  -7.644 -20.121
  134   2HB   GLU  21          1HB       GLU  21   4.656  -6.526 -20.233
  135   1HG   GLU  21          2HG       GLU  21   7.501  -5.698 -20.853
  136   2HG   GLU  21          1HG       GLU  21   6.404  -6.327 -22.083
  137    H    LYS  22           H        LYS  22   4.839  -7.996 -17.579
  138    HA   LYS  22           HA       LYS  22   2.430  -6.488 -16.864
  139   1HB   LYS  22          2HB       LYS  22   3.227  -9.337 -16.182
  140   2HB   LYS  22          1HB       LYS  22   1.619  -8.636 -15.985
  141   1HG   LYS  22          2HG       LYS  22   1.668  -8.137 -18.486
  142   2HG   LYS  22          1HG       LYS  22   3.104  -9.158 -18.571
  143   1HD   LYS  22          2HD       LYS  22   1.752 -10.991 -17.462
  144   2HD   LYS  22          1HD       LYS  22   0.327  -9.973 -17.674
  145   1HE   LYS  22          2HE       LYS  22   0.774  -9.904 -20.124
  146   2HE   LYS  22          1HE       LYS  22   2.134 -11.002 -19.882
  147   1HZ   LYS  22          1HZ       LYS  22  -0.418 -11.820 -18.745
  148   2HZ   LYS  22          2HZ       LYS  22   0.781 -12.750 -19.510
  149   3HZ   LYS  22          3HZ       LYS  22  -0.313 -11.838 -20.438
  150    H    ILE  23           H        ILE  23   5.241  -7.886 -15.237
  151    HA   ILE  23           HA       ILE  23   4.245  -7.018 -12.610
  152    HB   ILE  23           HB       ILE  23   6.007  -9.026 -13.487
  153   1HG1  ILE  23          2HG1      ILE  23   4.527  -9.202 -11.567
  154   2HG1  ILE  23          1HG1      ILE  23   6.177  -9.533 -11.054
  155   1HG2  ILE  23          1HG2      ILE  23   7.490  -6.909 -11.899
  156   2HG2  ILE  23          2HG2      ILE  23   7.881  -7.466 -13.527
  157   3HG2  ILE  23          3HG2      ILE  23   8.063  -8.557 -12.156
  158   1HD1  ILE  23          1HD1      ILE  23   4.520  -7.059 -10.567
  159   2HD1  ILE  23          2HD1      ILE  23   6.280  -7.001 -10.478
  160   3HD1  ILE  23          3HD1      ILE  23   5.378  -8.059  -9.396
  161    H    VAL  24           H        VAL  24   4.712  -5.078 -11.738
  162    HA   VAL  24           HA       VAL  24   7.130  -3.611 -12.676
  163    HB   VAL  24           HB       VAL  24   4.576  -2.097 -12.159
  164   1HG1  VAL  24          1HG1      VAL  24   6.728  -0.901 -12.301
  165   2HG1  VAL  24          2HG1      VAL  24   5.666  -0.464 -13.640
  166   3HG1  VAL  24          3HG1      VAL  24   7.002  -1.584 -13.904
  167   1HG2  VAL  24          1HG2      VAL  24   3.973  -3.744 -13.891
  168   2HG2  VAL  24          2HG2      VAL  24   5.417  -3.327 -14.812
  169   3HG2  VAL  24          3HG2      VAL  24   4.124  -2.143 -14.613
  170    H    ASN  25           H        ASN  25   8.298  -3.205 -10.869
  171    HA   ASN  25           HA       ASN  25   6.796  -2.875  -8.306
  172   1HB   ASN  25          2HB       ASN  25   8.115  -4.793  -8.041
  173   2HB   ASN  25          1HB       ASN  25   9.475  -4.105  -8.927
  174   1HD2  ASN  25          1HD2      ASN  25   7.516  -3.207  -6.013
  175   2HD2  ASN  25          2HD2      ASN  25   8.860  -2.773  -5.071
  176    H    SER  26           H        SER  26   7.405  -1.186  -6.943
  177    HA   SER  26           HA       SER  26   9.533   0.663  -7.806
  178   1HB   SER  26          2HB       SER  26   8.170   2.457  -8.342
  179   2HB   SER  26          1HB       SER  26   7.139   1.135  -8.895
  180    HG   SER  26           HG       SER  26   7.019   2.609  -6.475
  181    H    ASN  27           H        ASN  27  10.569   1.264  -5.987
  182    HA   ASN  27           HA       ASN  27  10.965   1.846  -3.756
  183   1HB   ASN  27          2HB       ASN  27   7.992   1.955  -3.284
  184   2HB   ASN  27          1HB       ASN  27   9.266   2.896  -2.511
  185   1HD2  ASN  27          1HD2      ASN  27  10.384   4.552  -3.913
  186   2HD2  ASN  27          2HD2      ASN  27   9.531   5.241  -5.209
  187    H    GLY  28           H        GLY  28   8.185  -0.345  -4.099
  188   1HA   GLY  28          2HA       GLY  28   9.399  -2.608  -2.969
  189   2HA   GLY  28          1HA       GLY  28   8.659  -1.741  -1.625
  190    H    GLU  29           H        GLU  29   6.537  -0.746  -3.625
  191    HA   GLU  29           HA       GLU  29   4.722  -3.036  -3.218
  192   1HB   GLU  29          2HB       GLU  29   4.457  -0.154  -3.695
  193   2HB   GLU  29          1HB       GLU  29   3.305  -1.113  -4.627
  194   1HG   GLU  29          2HG       GLU  29   2.393  -2.110  -2.674
  195   2HG   GLU  29          1HG       GLU  29   3.747  -1.578  -1.673
  196    H    LEU  30           H        LEU  30   3.291  -3.714  -5.078
  197    HA   LEU  30           HA       LEU  30   4.877  -3.817  -7.620
  198   1HB   LEU  30          2HB       LEU  30   2.807  -5.779  -6.583
  199   2HB   LEU  30          1HB       LEU  30   3.748  -5.946  -8.063
  200    HG   LEU  30           HG       LEU  30   4.819  -7.317  -6.427
  201   1HD1  LEU  30          1HD1      LEU  30   6.213  -5.595  -7.812
  202   2HD1  LEU  30          2HD1      LEU  30   7.000  -6.479  -6.505
  203   3HD1  LEU  30          3HD1      LEU  30   6.476  -4.815  -6.254
  204   1HD2  LEU  30          1HD2      LEU  30   4.971  -6.846  -4.200
  205   2HD2  LEU  30          2HD2      LEU  30   3.699  -5.679  -4.556
  206   3HD2  LEU  30          3HD2      LEU  30   5.381  -5.155  -4.480
  207    H    TYR  31           H        TYR  31   3.766  -3.410  -9.562
  208    HA   TYR  31           HA       TYR  31   0.851  -2.895  -9.496
  209   1HB   TYR  31          2HB       TYR  31   2.410  -0.757 -10.836
  210   2HB   TYR  31          1HB       TYR  31   0.893  -0.637  -9.959
  211    HD1  TYR  31           HD1      TYR  31   4.552  -1.289  -9.364
  212    HD2  TYR  31           HD2      TYR  31   0.885   0.379  -7.866
  213    HE1  TYR  31           HE1      TYR  31   5.770  -0.352  -7.429
  214    HE2  TYR  31           HE2      TYR  31   2.114   1.317  -5.923
  215    HH   TYR  31           HH       TYR  31   5.522   1.460  -5.811
  216    H    HIS  32           H        HIS  32   0.095  -2.389 -11.765
  217    HA   HIS  32           HA       HIS  32   1.614  -4.025 -13.743
  218   1HB   HIS  32          2HB       HIS  32  -1.267  -3.321 -13.339
  219   2HB   HIS  32          1HB       HIS  32  -0.715  -3.511 -14.998
  220    HD2  HIS  32           HD2      HIS  32   0.667  -6.181 -15.346
  221    HE1  HIS  32           HE1      HIS  32  -1.785  -7.908 -12.375
  222    HE2  HIS  32           HE2      HIS  32  -0.197  -8.411 -14.293
  223    H    GLU  33           H        GLU  33   0.975  -2.998 -16.104
  224    HA   GLU  33           HA       GLU  33   2.216  -0.359 -16.081
  225   1HB   GLU  33          2HB       GLU  33   0.858  -1.549 -18.498
  226   2HB   GLU  33          1HB       GLU  33   2.301  -0.538 -18.430
  227   1HG   GLU  33          2HG       GLU  33   3.517  -2.419 -17.314
  228   2HG   GLU  33          1HG       GLU  33   2.084  -3.426 -17.523
  229    H    GLN  34           H        GLN  34  -0.887  -1.528 -15.605
  230    HA   GLN  34           HA       GLN  34  -2.017   1.184 -15.958
  231   1HB   GLN  34          2HB       GLN  34  -3.224  -1.335 -17.144
  232   2HB   GLN  34          1HB       GLN  34  -4.057   0.218 -17.044
  233   1HG   GLN  34          2HG       GLN  34  -2.171   1.240 -18.358
  234   2HG   GLN  34          1HG       GLN  34  -1.511  -0.380 -18.578
  235   1HE2  GLN  34          1HE2      GLN  34  -2.881  -1.954 -19.803
  236   2HE2  GLN  34          2HE2      GLN  34  -4.035  -1.379 -20.907
  237    H    CYS  35           H        CYS  35  -1.340   0.194 -13.543
  238    HA   CYS  35           HA       CYS  35  -3.994  -0.328 -12.298
  239   1HB   CYS  35          2HB       CYS  35  -1.463  -1.908 -11.875
  240   2HB   CYS  35          1HB       CYS  35  -2.707  -1.834 -10.632
  241    H    PHE  36           H        PHE  36  -1.041   1.322 -12.413
  242    HA   PHE  36           HA       PHE  36  -0.299   2.090  -9.868
  243   1HB   PHE  36          2HB       PHE  36  -0.684   3.705 -12.392
  244   2HB   PHE  36          1HB       PHE  36  -0.084   4.451 -10.921
  245    HD1  PHE  36           HD1      PHE  36   0.674   0.934 -11.868
  246    HD2  PHE  36           HD2      PHE  36   2.109   4.978 -11.764
  247    HE1  PHE  36           HE1      PHE  36   2.963   0.142 -12.392
  248    HE2  PHE  36           HE2      PHE  36   4.396   4.181 -12.271
  249    HZ   PHE  36           HZ       PHE  36   4.823   1.763 -12.587
  250    H    VAL  37           H        VAL  37  -1.268   3.238  -8.162
  251    HA   VAL  37           HA       VAL  37  -3.746   4.776  -8.723
  252    HB   VAL  37           HB       VAL  37  -4.467   3.528  -6.394
  253   1HG1  VAL  37          1HG1      VAL  37  -6.154   2.458  -7.708
  254   2HG1  VAL  37          2HG1      VAL  37  -5.125   2.439  -9.140
  255   3HG1  VAL  37          3HG1      VAL  37  -5.769   3.964  -8.535
  256   1HG2  VAL  37          1HG2      VAL  37  -2.394   1.975  -7.050
  257   2HG2  VAL  37          2HG2      VAL  37  -3.596   1.229  -8.096
  258   3HG2  VAL  37          3HG2      VAL  37  -3.865   1.293  -6.358
  259    H    CYS  38           H        CYS  38  -4.491   5.984  -6.775
  260    HA   CYS  38           HA       CYS  38  -2.160   7.132  -5.346
  261   1HB   CYS  38          2HB       CYS  38  -3.904   8.580  -6.434
  262   2HB   CYS  38          1HB       CYS  38  -5.073   7.971  -5.269
  263    H    ALA  39           H        ALA  39  -1.703   6.525  -3.275
  264    HA   ALA  39           HA       ALA  39  -3.125   4.487  -1.893
  265   1HB   ALA  39          1HB       ALA  39  -1.796   5.348   0.130
  266   2HB   ALA  39          2HB       ALA  39  -1.125   6.555  -0.967
  267   3HB   ALA  39          3HB       ALA  39  -0.855   4.840  -1.271
  268    H    GLN  40           H        GLN  40  -3.946   7.767  -2.283
  269    HA   GLN  40           HA       GLN  40  -5.632   7.720   0.185
  270   1HB   GLN  40          2HB       GLN  40  -5.028  10.135  -1.534
  271   2HB   GLN  40          1HB       GLN  40  -5.645  10.105   0.119
  272   1HG   GLN  40          2HG       GLN  40  -3.281   8.655   0.300
  273   2HG   GLN  40          1HG       GLN  40  -2.880   9.939  -0.837
  274   1HE2  GLN  40          1HE2      GLN  40  -1.858  11.552   0.357
  275   2HE2  GLN  40          2HE2      GLN  40  -2.419  12.166   1.839
  276    H    CYS  41           H        CYS  41  -5.893   9.175  -3.089
  277    HA   CYS  41           HA       CYS  41  -8.811   8.826  -3.000
  278   1HB   CYS  41          2HB       CYS  41  -8.869  10.119  -4.993
  279   2HB   CYS  41          1HB       CYS  41  -7.566  10.820  -4.034
  280    H    PHE  42           H        PHE  42  -6.238   6.841  -3.827
  281    HA   PHE  42           HA       PHE  42  -6.074   4.854  -5.065
  282   1HB   PHE  42          2HB       PHE  42  -9.097   4.852  -4.833
  283   2HB   PHE  42          1HB       PHE  42  -8.050   3.458  -5.101
  284    HD1  PHE  42           HD1      PHE  42  -9.728   5.381  -2.640
  285    HD2  PHE  42           HD2      PHE  42  -6.143   3.107  -3.303
  286    HE1  PHE  42           HE1      PHE  42  -9.438   5.120  -0.191
  287    HE2  PHE  42           HE2      PHE  42  -5.855   2.847  -0.855
  288    HZ   PHE  42           HZ       PHE  42  -7.502   3.853   0.702
  289    H    GLN  43           H        GLN  43  -6.519   7.475  -6.451
  290    HA   GLN  43           HA       GLN  43  -8.178   7.133  -8.745
  291   1HB   GLN  43          2HB       GLN  43  -7.386   9.338  -8.330
  292   2HB   GLN  43          1HB       GLN  43  -5.714   8.800  -8.196
  293   1HG   GLN  43          2HG       GLN  43  -6.072   9.936 -10.344
  294   2HG   GLN  43          1HG       GLN  43  -5.715   8.230 -10.621
  295   1HE2  GLN  43          1HE2      GLN  43  -8.180  10.714 -10.912
  296   2HE2  GLN  43          2HE2      GLN  43  -9.342   9.743 -11.679
  297    H    GLN  44           H        GLN  44  -7.967   5.484 -10.180
  298    HA   GLN  44           HA       GLN  44  -5.396   4.118 -10.540
  299   1HB   GLN  44          2HB       GLN  44  -7.580   3.568 -12.469
  300   2HB   GLN  44          1HB       GLN  44  -6.600   2.445 -11.525
  301   1HG   GLN  44          2HG       GLN  44  -7.927   3.208  -9.481
  302   2HG   GLN  44          1HG       GLN  44  -9.026   4.004 -10.608
  303   1HE2  GLN  44          1HE2      GLN  44  -9.481   2.295 -12.623
  304   2HE2  GLN  44          2HE2      GLN  44 -10.008   0.775 -12.082
  305    H    PHE  45           H        PHE  45  -4.044   4.350 -12.335
  306    HA   PHE  45           HA       PHE  45  -4.935   6.158 -14.513
  307   1HB   PHE  45          2HB       PHE  45  -3.937   7.655 -12.884
  308   2HB   PHE  45          1HB       PHE  45  -2.529   6.614 -12.730
  309    HD1  PHE  45           HD1      PHE  45  -0.672   7.609 -13.651
  310    HD2  PHE  45           HD2      PHE  45  -4.431   7.969 -15.684
  311    HE1  PHE  45           HE1      PHE  45   0.454   8.802 -15.519
  312    HE2  PHE  45           HE2      PHE  45  -3.313   9.161 -17.550
  313    HZ   PHE  45           HZ       PHE  45  -0.869   9.577 -17.467
  314    HA   PRO  46           HA       PRO  46  -2.815   2.815 -16.608
  315   1HB   PRO  46          2HB       PRO  46  -3.151   4.227 -19.081
  316   2HB   PRO  46          1HB       PRO  46  -4.052   2.821 -18.504
  317   1HG   PRO  46          2HG       PRO  46  -4.982   5.543 -18.708
  318   2HG   PRO  46          1HG       PRO  46  -5.878   4.129 -18.136
  319   1HD   PRO  46          2HD       PRO  46  -4.851   6.314 -16.570
  320   2HD   PRO  46          1HD       PRO  46  -5.739   4.889 -15.996
  321    H    GLU  47           H        GLU  47  -1.239   3.291 -18.858
  322    HA   GLU  47           HA       GLU  47   0.805   4.202 -19.588
  323   1HB   GLU  47          2HB       GLU  47  -0.390   6.422 -18.853
  324   2HB   GLU  47          1HB       GLU  47   0.670   6.317 -17.447
  325   1HG   GLU  47          2HG       GLU  47   2.622   6.102 -19.019
  326   2HG   GLU  47          1HG       GLU  47   1.515   6.420 -20.355
  327    H    GLY  48           H        GLY  48   0.293   4.173 -16.066
  328   1HA   GLY  48          2HA       GLY  48   1.531   2.993 -14.438
  329   2HA   GLY  48          1HA       GLY  48   2.587   2.399 -15.718
  330    H    LEU  49           H        LEU  49   1.773   5.673 -14.488
  331    HA   LEU  49           HA       LEU  49   4.461   6.109 -13.496
  332   1HB   LEU  49          2HB       LEU  49   4.676   6.264 -16.045
  333   2HB   LEU  49          1HB       LEU  49   3.668   7.704 -15.949
  334    HG   LEU  49           HG       LEU  49   6.189   8.083 -15.961
  335   1HD1  LEU  49          1HD1      LEU  49   5.222   9.270 -13.427
  336   2HD1  LEU  49          2HD1      LEU  49   4.175   9.512 -14.826
  337   3HD1  LEU  49          3HD1      LEU  49   5.851  10.056 -14.875
  338   1HD2  LEU  49          1HD2      LEU  49   6.074   7.370 -13.038
  339   2HD2  LEU  49          2HD2      LEU  49   7.486   7.572 -14.074
  340   3HD2  LEU  49          3HD2      LEU  49   6.472   6.139 -14.237
  341    H    PHE  50           H        PHE  50   4.339   7.615 -11.955
  342    HA   PHE  50           HA       PHE  50   2.895  10.050 -12.085
  343   1HB   PHE  50          2HB       PHE  50   1.112   9.596 -10.403
  344   2HB   PHE  50          1HB       PHE  50   0.858   8.741 -11.913
  345    HD1  PHE  50           HD1      PHE  50   3.468   6.931 -10.574
  346    HD2  PHE  50           HD2      PHE  50  -0.678   7.741  -9.793
  347    HE1  PHE  50           HE1      PHE  50   3.282   4.818  -9.342
  348    HE2  PHE  50           HE2      PHE  50  -0.847   5.619  -8.532
  349    HZ   PHE  50           HZ       PHE  50   1.133   4.152  -8.307
  350    H    TYR  51           H        TYR  51   2.643   8.445  -8.992
  351    HA   TYR  51           HA       TYR  51   5.363   9.252  -8.214
  352   1HB   TYR  51          2HB       TYR  51   2.979  10.855  -7.627
  353   2HB   TYR  51          1HB       TYR  51   3.899  10.434  -6.185
  354    HD1  TYR  51           HD1      TYR  51   6.501  10.715  -6.353
  355    HD2  TYR  51           HD2      TYR  51   3.685  12.668  -8.944
  356    HE1  TYR  51           HE1      TYR  51   8.212  12.410  -6.931
  357    HE2  TYR  51           HE2      TYR  51   5.397  14.366  -9.522
  358    HH   TYR  51           HH       TYR  51   7.546  15.300  -8.295
  359    H    GLU  52           H        GLU  52   4.533   6.669  -8.260
  360    HA   GLU  52           HA       GLU  52   3.303   5.814  -5.778
  361   1HB   GLU  52          2HB       GLU  52   4.283   3.543  -6.401
  362   2HB   GLU  52          1HB       GLU  52   3.198   4.253  -7.581
  363   1HG   GLU  52          2HG       GLU  52   5.293   5.217  -8.714
  364   2HG   GLU  52          1HG       GLU  52   6.219   4.145  -7.674
  365    H    PHE  53           H        PHE  53   4.329   5.023  -3.875
  366    HA   PHE  53           HA       PHE  53   7.289   5.320  -3.734
  367   1HB   PHE  53          2HB       PHE  53   5.534   7.220  -2.684
  368   2HB   PHE  53          1HB       PHE  53   5.979   6.236  -1.291
  369    HD1  PHE  53           HD1      PHE  53   8.236   6.215  -0.433
  370    HD2  PHE  53           HD2      PHE  53   7.283   8.370  -4.028
  371    HE1  PHE  53           HE1      PHE  53  10.447   7.333  -0.350
  372    HE2  PHE  53           HE2      PHE  53   9.495   9.487  -3.942
  373    HZ   PHE  53           HZ       PHE  53  11.076   8.968  -2.105
  374    H    GLU  54           H        GLU  54   7.942   4.534  -1.350
  375    HA   GLU  54           HA       GLU  54   7.219   1.759  -1.216
  376   1HB   GLU  54          2HB       GLU  54   9.414   2.465  -0.475
  377   2HB   GLU  54          1HB       GLU  54   8.711   3.548   0.724
  378   1HG   GLU  54          2HG       GLU  54   9.448   1.520   1.845
  379   2HG   GLU  54          1HG       GLU  54   7.686   1.554   1.850
  380    H    GLY  55           H        GLY  55   5.274   1.065  -0.512
  381   1HA   GLY  55          2HA       GLY  55   3.398   0.786   0.865
  382   2HA   GLY  55          1HA       GLY  55   4.348   1.543   2.141
  383    H    ARG  56           H        ARG  56   4.268   3.613  -0.485
  384    HA   ARG  56           HA       ARG  56   1.699   4.886   0.268
  385   1HB   ARG  56          2HB       ARG  56   4.372   6.317   0.445
  386   2HB   ARG  56          1HB       ARG  56   2.791   7.069   0.647
  387   1HG   ARG  56          2HG       ARG  56   2.348   5.484   2.547
  388   2HG   ARG  56          1HG       ARG  56   4.018   4.927   2.403
  389   1HD   ARG  56          2HD       ARG  56   4.269   7.690   2.465
  390   2HD   ARG  56          1HD       ARG  56   2.969   7.385   3.613
  391    HE   ARG  56           HE       ARG  56   5.686   7.000   4.185
  392   1HH1  ARG  56          1HH2      ARG  56   2.817   5.062   4.169
  393   2HH1  ARG  56          2HH2      ARG  56   3.439   3.919   5.308
  394   1HH2  ARG  56          2HH1      ARG  56   6.483   5.522   5.669
  395   2HH2  ARG  56          1HH1      ARG  56   5.505   4.180   6.157
  396    H    LYS  57           H        LYS  57   1.063   4.410  -1.890
  397    HA   LYS  57           HA       LYS  57   2.670   5.554  -4.086
  398   1HB   LYS  57          2HB       LYS  57   0.462   4.577  -5.323
  399   2HB   LYS  57          1HB       LYS  57   1.880   3.596  -4.953
  400   1HG   LYS  57          2HG       LYS  57   0.883   2.660  -3.030
  401   2HG   LYS  57          1HG       LYS  57  -0.331   3.934  -2.938
  402   1HD   LYS  57          2HD       LYS  57  -0.363   2.387  -5.451
  403   2HD   LYS  57          1HD       LYS  57  -0.796   1.469  -4.009
  404   1HE   LYS  57          2HE       LYS  57  -2.026   4.132  -4.088
  405   2HE   LYS  57          1HE       LYS  57  -2.509   3.103  -5.426
  406   1HZ   LYS  57          1HZ       LYS  57  -2.693   2.465  -2.539
  407   2HZ   LYS  57          2HZ       LYS  57  -3.003   1.346  -3.780
  408   3HZ   LYS  57          3HZ       LYS  57  -3.984   2.724  -3.609
  409    H    TYR  58           H        TYR  58   2.042   7.340  -5.291
  410    HA   TYR  58           HA       TYR  58  -0.573   8.612  -4.616
  411   1HB   TYR  58          2HB       TYR  58   2.113  10.022  -4.670
  412   2HB   TYR  58          1HB       TYR  58   0.551  10.818  -4.477
  413    HD1  TYR  58           HD1      TYR  58   3.278   9.275  -2.800
  414    HD2  TYR  58           HD2      TYR  58  -0.957   9.953  -2.503
  415    HE1  TYR  58           HE1      TYR  58   3.380   8.846  -0.362
  416    HE2  TYR  58           HE2      TYR  58  -0.851   9.520  -0.063
  417    HH   TYR  58           HH       TYR  58   0.804   9.587   1.744
  418    H    CYS  59           H        CYS  59  -1.468   9.808  -6.322
  419    HA   CYS  59           HA       CYS  59  -0.154   9.392  -8.957
  420   1HB   CYS  59          2HB       CYS  59  -2.405  10.094  -9.861
  421   2HB   CYS  59          1HB       CYS  59  -2.447   8.614  -8.897
  422    H    GLU  60           H        GLU  60  -0.990  11.422 -10.473
  423    HA   GLU  60           HA       GLU  60   0.606  13.638  -9.645
  424   1HB   GLU  60          2HB       GLU  60  -0.059  13.088 -12.022
  425   2HB   GLU  60          1HB       GLU  60  -1.667  13.711 -11.652
  426   1HG   GLU  60          2HG       GLU  60  -0.963  15.890 -11.622
  427   2HG   GLU  60          1HG       GLU  60   0.601  15.483 -10.917
  428    H    HIS  61           H        HIS  61  -2.470  12.653  -8.615
  429    HA   HIS  61           HA       HIS  61  -3.529  15.331  -8.080
  430   1HB   HIS  61          2HB       HIS  61  -5.380  14.006  -8.192
  431   2HB   HIS  61          1HB       HIS  61  -4.468  12.548  -7.814
  432    HD2  HIS  61           HD2      HIS  61  -5.782  15.663  -5.687
  433    HE1  HIS  61           HE1      HIS  61  -5.842  12.210  -3.261
  434    HE2  HIS  61           HE2      HIS  61  -6.372  14.689  -3.338
  435    H    ASP  62           H        ASP  62  -2.746  12.645  -5.841
  436    HA   ASP  62           HA       ASP  62  -2.681  14.229  -3.510
  437   1HB   ASP  62          2HB       ASP  62  -2.231  11.558  -4.114
  438   2HB   ASP  62          1HB       ASP  62  -0.682  12.109  -3.488
  439    H    PHE  63           H        PHE  63  -0.117  13.538  -5.850
  440    HA   PHE  63           HA       PHE  63   1.933  14.861  -4.307
  441   1HB   PHE  63          2HB       PHE  63   1.921  13.207  -6.510
  442   2HB   PHE  63          1HB       PHE  63   2.375  14.763  -7.205
  443    HD1  PHE  63           HD1      PHE  63   4.500  15.782  -6.715
  444    HD2  PHE  63           HD2      PHE  63   3.238  12.259  -4.604
  445    HE1  PHE  63           HE1      PHE  63   6.772  15.543  -5.750
  446    HE2  PHE  63           HE2      PHE  63   5.510  12.018  -3.643
  447    HZ   PHE  63           HZ       PHE  63   7.278  13.661  -4.216
  448    H    GLN  64           H        GLN  64  -0.196  15.953  -7.002
  449    HA   GLN  64           HA       GLN  64   1.108  18.544  -7.126
  450   1HB   GLN  64          2HB       GLN  64  -0.632  19.222  -8.598
  451   2HB   GLN  64          1HB       GLN  64  -0.376  17.517  -8.950
  452   1HG   GLN  64          2HG       GLN  64  -2.293  16.914  -7.555
  453   2HG   GLN  64          1HG       GLN  64  -2.525  18.598  -7.100
  454   1HE2  GLN  64          1HE2      GLN  64  -3.147  20.122  -8.889
  455   2HE2  GLN  64          2HE2      GLN  64  -3.964  19.515 -10.248
  456    H    MET  65           H        MET  65  -1.196  17.093  -5.037
  457    HA   MET  65           HA       MET  65  -2.453  19.488  -4.030
  458   1HB   MET  65          2HB       MET  65  -2.171  16.651  -3.098
  459   2HB   MET  65          1HB       MET  65  -2.636  17.865  -1.907
  460   1HG   MET  65          2HG       MET  65  -4.466  18.597  -3.474
  461   2HG   MET  65          1HG       MET  65  -4.060  17.224  -4.504
  462   1HE   MET  65          1HE       MET  65  -6.802  18.162  -2.615
  463   2HE   MET  65          2HE       MET  65  -7.463  16.532  -2.539
  464   3HE   MET  65          3HE       MET  65  -6.754  17.116  -4.041
  465    H    LEU  66           H        LEU  66   0.419  17.600  -3.169
  466    HA   LEU  66           HA       LEU  66   1.179  19.266  -0.912
  467   1HB   LEU  66          2HB       LEU  66   3.200  17.793  -2.592
  468   2HB   LEU  66          1HB       LEU  66   3.155  17.997  -0.842
  469    HG   LEU  66           HG       LEU  66   1.351  16.227  -2.510
  470   1HD1  LEU  66          1HD1      LEU  66   3.370  15.575  -0.342
  471   2HD1  LEU  66          2HD1      LEU  66   3.637  15.364  -2.072
  472   3HD1  LEU  66          3HD1      LEU  66   2.405  14.410  -1.248
  473   1HD2  LEU  66          1HD2      LEU  66   1.260  17.053   0.395
  474   2HD2  LEU  66          2HD2      LEU  66   0.589  15.508  -0.130
  475   3HD2  LEU  66          3HD2      LEU  66  -0.058  17.015  -0.777
  476    H    PHE  67           H        PHE  67   1.443  19.403  -4.347
  477    HA   PHE  67           HA       PHE  67   2.198  21.041  -5.802
  478   1HB   PHE  67          2HB       PHE  67   1.017  22.508  -4.032
  479   2HB   PHE  67          1HB       PHE  67   2.636  22.853  -3.422
  480    HD1  PHE  67           HD1      PHE  67   4.164  24.264  -4.637
  481    HD2  PHE  67           HD2      PHE  67   0.397  23.131  -6.368
  482    HE1  PHE  67           HE1      PHE  67   4.484  25.942  -6.434
  483    HE2  PHE  67           HE2      PHE  67   0.718  24.810  -8.164
  484    HZ   PHE  67           HZ       PHE  67   2.761  26.215  -8.198
  485    H    ALA  68           H        ALA  68   4.108  19.844  -6.272
  486    HA   ALA  68           HA       ALA  68   6.582  21.124  -5.249
  487   1HB   ALA  68          1HB       ALA  68   7.644  18.902  -4.911
  488   2HB   ALA  68          2HB       ALA  68   6.096  18.128  -5.245
  489   3HB   ALA  68          3HB       ALA  68   6.282  19.150  -3.820
  490    HA   PRO  69           HA       PRO  69   6.296  20.371  -9.858
  491   1HB   PRO  69          2HB       PRO  69   7.295  23.038 -10.218
  492   2HB   PRO  69          1HB       PRO  69   5.682  22.424 -10.607
  493   1HG   PRO  69          2HG       PRO  69   6.428  24.190  -8.444
  494   2HG   PRO  69          1HG       PRO  69   4.813  23.602  -8.861
  495   1HD   PRO  69          2HD       PRO  69   6.449  22.815  -6.625
  496   2HD   PRO  69          1HD       PRO  69   4.836  22.214  -7.061
  497    H    CYS  70           H        CYS  70   8.625  21.278  -7.523
  498    HA   CYS  70           HA       CYS  70  10.779  20.033  -9.056
  499   1HB   CYS  70          2HB       CYS  70  12.260  22.111  -8.779
  500   2HB   CYS  70          1HB       CYS  70  11.030  22.192 -10.041
  501    HG   CYS  70           HG       CYS  70   9.563  23.392  -7.961
  Start of MODEL   17
    1    H    MET   1           1H       MET   1  13.521 -20.222   0.481
    2    HA   MET   1           HA       MET   1  13.187 -17.953   0.671
    3   1HB   MET   1          2HB       MET   1  16.146 -18.443   1.149
    4   2HB   MET   1          1HB       MET   1  15.210 -17.109   1.824
    5   1HG   MET   1          2HG       MET   1  15.143 -18.661   3.569
    6   2HG   MET   1          1HG       MET   1  13.643 -19.021   2.716
    7   1HE   MET   1          1HE       MET   1  13.596 -21.332   3.937
    8   2HE   MET   1          2HE       MET   1  15.113 -20.931   4.738
    9   3HE   MET   1          3HE       MET   1  14.933 -22.489   3.937
   10    H    ALA   2           H        ALA   2  16.246 -18.408  -1.143
   11    HA   ALA   2           HA       ALA   2  15.992 -15.743  -2.347
   12   1HB   ALA   2          1HB       ALA   2  18.200 -16.834  -1.734
   13   2HB   ALA   2          2HB       ALA   2  18.114 -16.215  -3.384
   14   3HB   ALA   2          3HB       ALA   2  17.943 -17.945  -3.079
   15    H    ASN   3           H        ASN   3  17.176 -16.970  -4.917
   16    HA   ASN   3           HA       ASN   3  16.378 -17.625  -7.019
   17   1HB   ASN   3          2HB       ASN   3  15.596 -19.607  -5.429
   18   2HB   ASN   3          1HB       ASN   3  13.994 -18.954  -5.778
   19   1HD2  ASN   3          1HD2      ASN   3  16.937 -20.241  -7.370
   20   2HD2  ASN   3          2HD2      ASN   3  16.150 -20.710  -8.797
   21    H    ALA   4           H        ALA   4  15.189 -15.274  -5.341
   22    HA   ALA   4           HA       ALA   4  13.631 -13.567  -5.720
   23   1HB   ALA   4          1HB       ALA   4  13.019 -14.725  -8.423
   24   2HB   ALA   4          2HB       ALA   4  14.622 -14.058  -8.117
   25   3HB   ALA   4          3HB       ALA   4  13.195 -13.036  -7.947
   26    H    LEU   5           H        LEU   5  11.197 -13.494  -7.013
   27    HA   LEU   5           HA       LEU   5   9.644 -15.475  -5.434
   28   1HB   LEU   5          2HB       LEU   5   9.117 -12.756  -6.553
   29   2HB   LEU   5          1HB       LEU   5   7.743 -13.852  -6.425
   30    HG   LEU   5           HG       LEU   5   8.036 -12.444  -4.387
   31   1HD1  LEU   5          1HD1      LEU   5   7.463 -14.156  -2.936
   32   2HD1  LEU   5          2HD1      LEU   5   8.722 -15.233  -3.536
   33   3HD1  LEU   5          3HD1      LEU   5   7.253 -14.981  -4.480
   34   1HD2  LEU   5          1HD2      LEU   5  10.534 -14.058  -3.843
   35   2HD2  LEU   5          2HD2      LEU   5   9.957 -12.618  -3.005
   36   3HD2  LEU   5          3HD2      LEU   5  10.606 -12.486  -4.639
   37    H    ALA   6           H        ALA   6   8.557 -17.117  -6.424
   38    HA   ALA   6           HA       ALA   6   8.924 -17.611  -9.251
   39   1HB   ALA   6          1HB       ALA   6   8.710 -19.448  -7.617
   40   2HB   ALA   6          2HB       ALA   6   7.465 -19.568  -8.859
   41   3HB   ALA   6          3HB       ALA   6   7.059 -18.944  -7.261
   42    H    SER   7           H        SER   7   6.352 -16.207  -7.306
   43    HA   SER   7           HA       SER   7   5.060 -15.183  -9.735
   44   1HB   SER   7          2HB       SER   7   3.768 -17.272  -7.979
   45   2HB   SER   7          1HB       SER   7   2.798 -16.128  -8.901
   46    HG   SER   7           HG       SER   7   4.872 -17.410 -10.242
   47    H    ALA   8           H        ALA   8   3.332 -13.615  -9.167
   48    HA   ALA   8           HA       ALA   8   2.992 -12.842  -6.370
   49   1HB   ALA   8          1HB       ALA   8   3.987 -10.573  -6.664
   50   2HB   ALA   8          2HB       ALA   8   4.593 -11.069  -8.245
   51   3HB   ALA   8          3HB       ALA   8   5.194 -11.852  -6.785
   52    H    THR   9           H        THR   9   1.568 -10.851  -6.237
   53    HA   THR   9           HA       THR   9  -0.106 -10.584  -8.704
   54    HB   THR   9           HB       THR   9  -2.061 -10.297  -7.183
   55    HG1  THR   9           HG1      THR   9  -0.364  -9.813  -5.402
   56   1HG2  THR   9          1HG2      THR   9  -1.608 -12.513  -8.106
   57   2HG2  THR   9          2HG2      THR   9  -2.192 -12.670  -6.449
   58   3HG2  THR   9          3HG2      THR   9  -0.473 -12.850  -6.799
   59    H    CYS  10           H        CYS  10  -1.206  -8.498  -8.904
   60    HA   CYS  10           HA       CYS  10   0.528  -6.278  -8.357
   61   1HB   CYS  10          2HB       CYS  10  -1.004  -6.374 -10.276
   62   2HB   CYS  10          1HB       CYS  10  -2.369  -6.259  -9.177
   63    H    GLU  11           H        GLU  11   0.048  -4.370  -7.088
   64    HA   GLU  11           HA       GLU  11  -0.718  -5.012  -4.392
   65   1HB   GLU  11          2HB       GLU  11   0.883  -3.325  -4.516
   66   2HB   GLU  11          1HB       GLU  11   0.085  -2.523  -5.865
   67   1HG   GLU  11          2HG       GLU  11  -1.586  -1.584  -4.451
   68   2HG   GLU  11          1HG       GLU  11  -1.175  -2.663  -3.118
   69    H    ARG  12           H        ARG  12  -2.217  -2.722  -6.709
   70    HA   ARG  12           HA       ARG  12  -4.596  -2.538  -5.016
   71   1HB   ARG  12          2HB       ARG  12  -3.521  -0.690  -6.505
   72   2HB   ARG  12          1HB       ARG  12  -4.414  -1.456  -7.816
   73   1HG   ARG  12          2HG       ARG  12  -5.959  -0.982  -5.332
   74   2HG   ARG  12          1HG       ARG  12  -5.470   0.465  -6.205
   75   1HD   ARG  12          2HD       ARG  12  -6.386  -0.678  -8.312
   76   2HD   ARG  12          1HD       ARG  12  -7.141  -1.838  -7.220
   77    HE   ARG  12           HE       ARG  12  -7.904   0.648  -6.228
   78   1HH1  ARG  12          1HH2      ARG  12  -8.082  -1.031  -9.239
   79   2HH1  ARG  12          2HH2      ARG  12  -9.531  -0.230  -9.745
   80   1HH2  ARG  12          2HH1      ARG  12  -9.785   1.694  -6.877
   81   2HH2  ARG  12          1HH1      ARG  12 -10.494   1.310  -8.409
   82    H    CYS  13           H        CYS  13  -3.872  -3.884  -8.241
   83    HA   CYS  13           HA       CYS  13  -6.641  -4.871  -8.453
   84   1HB   CYS  13          2HB       CYS  13  -6.242  -5.026 -10.684
   85   2HB   CYS  13          1HB       CYS  13  -4.861  -4.000 -10.314
   86    H    LYS  14           H        LYS  14  -3.531  -6.133  -7.487
   87    HA   LYS  14           HA       LYS  14  -2.921  -8.286  -6.769
   88   1HB   LYS  14          2HB       LYS  14  -5.258  -7.799  -5.574
   89   2HB   LYS  14          1HB       LYS  14  -5.773  -9.124  -6.614
   90   1HG   LYS  14          2HG       LYS  14  -5.066 -10.210  -4.640
   91   2HG   LYS  14          1HG       LYS  14  -3.688 -10.375  -5.728
   92   1HD   LYS  14          2HD       LYS  14  -2.504  -8.593  -4.653
   93   2HD   LYS  14          1HD       LYS  14  -3.938  -8.090  -3.757
   94   1HE   LYS  14          2HE       LYS  14  -2.756 -10.850  -3.422
   95   2HE   LYS  14          1HE       LYS  14  -2.180  -9.477  -2.477
   96   1HZ   LYS  14          1HZ       LYS  14  -4.365  -9.129  -1.616
   97   2HZ   LYS  14          2HZ       LYS  14  -3.962 -10.762  -1.378
   98   3HZ   LYS  14          3HZ       LYS  14  -5.022 -10.319  -2.631
   99    H    GLY  15           H        GLY  15  -3.090  -7.844  -9.573
  100   1HA   GLY  15          2HA       GLY  15  -4.385 -10.256 -10.693
  101   2HA   GLY  15          1HA       GLY  15  -3.598  -8.980 -11.621
  102    H    GLY  16           H        GLY  16  -3.272 -12.125 -10.934
  103   1HA   GLY  16          2HA       GLY  16  -0.566 -12.425 -10.083
  104   2HA   GLY  16          1HA       GLY  16  -1.472 -13.631 -11.002
  105    H    PHE  17           H        PHE  17   0.853 -11.086 -11.170
  106    HA   PHE  17           HA       PHE  17   1.043 -11.416 -14.136
  107   1HB   PHE  17          2HB       PHE  17   2.487  -9.267 -13.904
  108   2HB   PHE  17          1HB       PHE  17   0.743  -9.120 -13.760
  109    HD1  PHE  17           HD1      PHE  17   1.069  -6.974 -12.525
  110    HD2  PHE  17           HD2      PHE  17   2.563 -10.699 -10.984
  111    HE1  PHE  17           HE1      PHE  17   1.350  -5.948 -10.298
  112    HE2  PHE  17           HE2      PHE  17   2.840  -9.662  -8.765
  113    HZ   PHE  17           HZ       PHE  17   2.235  -7.295  -8.422
  114    H    ALA  18           H        ALA  18   3.606 -10.665 -14.632
  115    HA   ALA  18           HA       ALA  18   5.552 -11.794 -12.844
  116   1HB   ALA  18          1HB       ALA  18   5.902 -13.623 -14.943
  117   2HB   ALA  18          2HB       ALA  18   4.171 -13.650 -14.605
  118   3HB   ALA  18          3HB       ALA  18   5.327 -13.983 -13.316
  119    HA   PRO  19           HA       PRO  19   7.599 -10.927 -17.174
  120   1HB   PRO  19          2HB       PRO  19   5.566  -9.639 -18.788
  121   2HB   PRO  19          1HB       PRO  19   6.497 -11.100 -19.150
  122   1HG   PRO  19          2HG       PRO  19   3.731 -10.958 -18.441
  123   2HG   PRO  19          1HG       PRO  19   4.698 -12.417 -18.678
  124   1HD   PRO  19          2HD       PRO  19   3.694 -11.326 -16.193
  125   2HD   PRO  19          1HD       PRO  19   4.599 -12.830 -16.447
  126    H    ALA  20           H        ALA  20   8.718  -8.989 -17.243
  127    HA   ALA  20           HA       ALA  20   8.139  -6.867 -15.493
  128   1HB   ALA  20          1HB       ALA  20  10.365  -7.267 -16.494
  129   2HB   ALA  20          2HB       ALA  20   9.851  -5.595 -16.716
  130   3HB   ALA  20          3HB       ALA  20   9.750  -6.735 -18.058
  131    H    GLU  21           H        GLU  21   6.952  -7.409 -18.743
  132    HA   GLU  21           HA       GLU  21   6.050  -4.666 -19.148
  133   1HB   GLU  21          2HB       GLU  21   6.526  -6.495 -20.939
  134   2HB   GLU  21          1HB       GLU  21   4.906  -7.073 -20.560
  135   1HG   GLU  21          2HG       GLU  21   4.791  -4.225 -20.864
  136   2HG   GLU  21          1HG       GLU  21   5.649  -4.890 -22.251
  137    H    LYS  22           H        LYS  22   4.802  -7.553 -17.652
  138    HA   LYS  22           HA       LYS  22   2.089  -6.376 -17.434
  139   1HB   LYS  22          2HB       LYS  22   3.170  -9.069 -16.548
  140   2HB   LYS  22          1HB       LYS  22   1.487  -8.562 -16.416
  141   1HG   LYS  22          2HG       LYS  22   3.007  -8.655 -19.037
  142   2HG   LYS  22          1HG       LYS  22   1.995  -9.972 -18.451
  143   1HD   LYS  22          2HD       LYS  22   0.193  -8.952 -19.323
  144   2HD   LYS  22          1HD       LYS  22   0.448  -7.601 -18.220
  145   1HE   LYS  22          2HE       LYS  22   2.254  -7.615 -20.556
  146   2HE   LYS  22          1HE       LYS  22   0.549  -7.408 -20.955
  147   1HZ   LYS  22          1HZ       LYS  22   0.503  -5.660 -19.181
  148   2HZ   LYS  22          2HZ       LYS  22   1.420  -5.269 -20.558
  149   3HZ   LYS  22          3HZ       LYS  22   2.196  -5.757 -19.126
  150    H    ILE  23           H        ILE  23   4.756  -7.513 -15.346
  151    HA   ILE  23           HA       ILE  23   3.407  -6.253 -13.031
  152    HB   ILE  23           HB       ILE  23   4.352  -8.613 -12.910
  153   1HG1  ILE  23          2HG1      ILE  23   5.646  -6.630 -11.040
  154   2HG1  ILE  23          1HG1      ILE  23   3.943  -7.056 -10.947
  155   1HG2  ILE  23          1HG2      ILE  23   7.021  -7.225 -12.666
  156   2HG2  ILE  23          2HG2      ILE  23   6.465  -7.834 -14.224
  157   3HG2  ILE  23          3HG2      ILE  23   6.694  -8.945 -12.875
  158   1HD1  ILE  23          1HD1      ILE  23   6.345  -8.696 -10.282
  159   2HD1  ILE  23          2HD1      ILE  23   4.950  -9.532 -10.965
  160   3HD1  ILE  23          3HD1      ILE  23   4.783  -8.614  -9.472
  161    H    VAL  24           H        VAL  24   4.383  -4.636 -11.848
  162    HA   VAL  24           HA       VAL  24   6.962  -3.516 -12.833
  163    HB   VAL  24           HB       VAL  24   4.710  -1.688 -12.004
  164   1HG1  VAL  24          1HG1      VAL  24   7.176  -1.408 -13.746
  165   2HG1  VAL  24          2HG1      VAL  24   6.930  -0.721 -12.140
  166   3HG1  VAL  24          3HG1      VAL  24   5.983  -0.131 -13.506
  167   1HG2  VAL  24          1HG2      VAL  24   4.198  -1.394 -14.450
  168   2HG2  VAL  24          2HG2      VAL  24   3.744  -2.982 -13.833
  169   3HG2  VAL  24          3HG2      VAL  24   5.214  -2.795 -14.789
  170    H    ASN  25           H        ASN  25   8.279  -2.985 -11.086
  171    HA   ASN  25           HA       ASN  25   6.962  -3.079  -8.399
  172   1HB   ASN  25          2HB       ASN  25   8.286  -5.018  -8.527
  173   2HB   ASN  25          1HB       ASN  25   9.613  -4.177  -9.330
  174   1HD2  ASN  25          1HD2      ASN  25  11.204  -3.216  -7.993
  175   2HD2  ASN  25          2HD2      ASN  25  11.108  -3.155  -6.300
  176    H    SER  26           H        SER  26   7.547  -1.506  -6.929
  177    HA   SER  26           HA       SER  26   9.780   0.313  -7.417
  178   1HB   SER  26          2HB       SER  26   8.538   2.292  -7.860
  179   2HB   SER  26          1HB       SER  26   7.820   1.080  -8.920
  180    HG   SER  26           HG       SER  26   6.874   1.802  -6.335
  181    H    ASN  27           H        ASN  27  10.443   1.134  -5.453
  182    HA   ASN  27           HA       ASN  27  10.420   1.654  -3.163
  183   1HB   ASN  27          2HB       ASN  27   8.543   2.657  -2.423
  184   2HB   ASN  27          1HB       ASN  27   7.843   2.268  -3.982
  185   1HD2  ASN  27          1HD2      ASN  27   8.410   0.576  -0.828
  186   2HD2  ASN  27          2HD2      ASN  27   6.902  -0.202  -0.820
  187    H    GLY  28           H        GLY  28   8.247  -0.969  -4.088
  188   1HA   GLY  28          2HA       GLY  28   9.551  -3.158  -3.107
  189   2HA   GLY  28          1HA       GLY  28   8.784  -2.505  -1.656
  190    H    GLU  29           H        GLU  29   6.606  -1.421  -3.554
  191    HA   GLU  29           HA       GLU  29   4.909  -3.834  -3.406
  192   1HB   GLU  29          2HB       GLU  29   4.435  -0.901  -3.802
  193   2HB   GLU  29          1HB       GLU  29   3.216  -2.035  -4.377
  194   1HG   GLU  29          2HG       GLU  29   2.434  -2.225  -2.279
  195   2HG   GLU  29          1HG       GLU  29   3.986  -2.900  -1.780
  196    H    LEU  30           H        LEU  30   3.516  -4.345  -5.322
  197    HA   LEU  30           HA       LEU  30   5.051  -3.977  -7.871
  198   1HB   LEU  30          2HB       LEU  30   3.135  -6.217  -7.202
  199   2HB   LEU  30          1HB       LEU  30   4.267  -6.145  -8.553
  200    HG   LEU  30           HG       LEU  30   4.829  -6.586  -5.622
  201   1HD1  LEU  30          1HD1      LEU  30   4.524  -8.418  -7.421
  202   2HD1  LEU  30          2HD1      LEU  30   5.941  -8.520  -6.375
  203   3HD1  LEU  30          3HD1      LEU  30   6.101  -7.892  -8.016
  204   1HD2  LEU  30          1HD2      LEU  30   6.518  -5.134  -7.583
  205   2HD2  LEU  30          2HD2      LEU  30   7.331  -6.419  -6.697
  206   3HD2  LEU  30          3HD2      LEU  30   6.561  -5.101  -5.822
  207    H    TYR  31           H        TYR  31   3.879  -3.361  -9.707
  208    HA   TYR  31           HA       TYR  31   0.936  -2.953  -9.414
  209   1HB   TYR  31          2HB       TYR  31   2.507  -0.810 -10.770
  210   2HB   TYR  31          1HB       TYR  31   0.992  -0.678  -9.891
  211    HD1  TYR  31           HD1      TYR  31   4.612  -1.522  -9.278
  212    HD2  TYR  31           HD2      TYR  31   1.035   0.344  -7.794
  213    HE1  TYR  31           HE1      TYR  31   5.857  -0.708  -7.304
  214    HE2  TYR  31           HE2      TYR  31   2.294   1.164  -5.817
  215    HH   TYR  31           HH       TYR  31   5.203   1.606  -5.545
  216    H    HIS  32           H        HIS  32   0.010  -2.300 -11.596
  217    HA   HIS  32           HA       HIS  32   1.263  -3.916 -13.766
  218   1HB   HIS  32          2HB       HIS  32  -1.541  -3.116 -13.072
  219   2HB   HIS  32          1HB       HIS  32  -1.148  -3.309 -14.777
  220    HD2  HIS  32           HD2      HIS  32   0.008  -6.016 -15.328
  221    HE1  HIS  32           HE1      HIS  32  -2.038  -7.706 -12.049
  222    HE2  HIS  32           HE2      HIS  32  -0.759  -8.230 -14.178
  223    H    GLU  33           H        GLU  33   0.364  -2.759 -16.018
  224    HA   GLU  33           HA       GLU  33   1.774  -0.207 -16.051
  225   1HB   GLU  33          2HB       GLU  33   0.059  -1.172 -18.334
  226   2HB   GLU  33          1HB       GLU  33   1.575  -0.275 -18.393
  227   1HG   GLU  33          2HG       GLU  33   2.812  -2.259 -17.641
  228   2HG   GLU  33          1HG       GLU  33   1.303  -3.163 -17.499
  229    H    GLN  34           H        GLN  34  -1.324  -1.138 -15.204
  230    HA   GLN  34           HA       GLN  34  -2.249   1.665 -15.340
  231   1HB   GLN  34          2HB       GLN  34  -3.056   0.424 -17.417
  232   2HB   GLN  34          1HB       GLN  34  -4.015  -0.586 -16.336
  233   1HG   GLN  34          2HG       GLN  34  -5.471   1.123 -15.805
  234   2HG   GLN  34          1HG       GLN  34  -4.243   2.373 -16.000
  235   1HE2  GLN  34          1HE2      GLN  34  -5.165   3.717 -17.594
  236   2HE2  GLN  34          2HE2      GLN  34  -5.673   3.170 -19.118
  237    H    CYS  35           H        CYS  35  -1.400   0.333 -13.095
  238    HA   CYS  35           HA       CYS  35  -3.963  -0.041 -11.601
  239   1HB   CYS  35          2HB       CYS  35  -1.450  -1.686 -11.488
  240   2HB   CYS  35          1HB       CYS  35  -2.518  -1.597 -10.094
  241    H    PHE  36           H        PHE  36  -0.967   1.510 -11.964
  242    HA   PHE  36           HA       PHE  36  -0.134   2.222  -9.383
  243   1HB   PHE  36          2HB       PHE  36  -0.237   3.762 -11.984
  244   2HB   PHE  36          1HB       PHE  36   0.410   4.487 -10.525
  245    HD1  PHE  36           HD1      PHE  36   0.687   1.110 -12.182
  246    HD2  PHE  36           HD2      PHE  36   2.716   4.454 -10.430
  247    HE1  PHE  36           HE1      PHE  36   2.871   0.003 -12.579
  248    HE2  PHE  36           HE2      PHE  36   4.893   3.347 -10.812
  249    HZ   PHE  36           HZ       PHE  36   4.972   1.119 -11.892
  250    H    VAL  37           H        VAL  37  -1.775   2.586  -7.858
  251    HA   VAL  37           HA       VAL  37  -3.885   4.581  -8.533
  252    HB   VAL  37           HB       VAL  37  -4.732   3.642  -6.189
  253   1HG1  VAL  37          1HG1      VAL  37  -6.154   2.147  -7.422
  254   2HG1  VAL  37          2HG1      VAL  37  -4.959   1.964  -8.703
  255   3HG1  VAL  37          3HG1      VAL  37  -5.801   3.499  -8.496
  256   1HG2  VAL  37          1HG2      VAL  37  -3.944   1.559  -5.589
  257   2HG2  VAL  37          2HG2      VAL  37  -2.474   2.194  -6.321
  258   3HG2  VAL  37          3HG2      VAL  37  -3.523   1.123  -7.244
  259    H    CYS  38           H        CYS  38  -4.592   6.045  -6.835
  260    HA   CYS  38           HA       CYS  38  -2.305   7.314  -5.470
  261   1HB   CYS  38          2HB       CYS  38  -4.035   8.644  -6.709
  262   2HB   CYS  38          1HB       CYS  38  -5.229   8.115  -5.529
  263    H    ALA  39           H        ALA  39  -1.921   7.024  -3.318
  264    HA   ALA  39           HA       ALA  39  -3.265   5.034  -1.804
  265   1HB   ALA  39          1HB       ALA  39  -1.228   7.127  -1.251
  266   2HB   ALA  39          2HB       ALA  39  -1.200   5.403  -0.883
  267   3HB   ALA  39          3HB       ALA  39  -2.104   6.509   0.150
  268    H    GLN  40           H        GLN  40  -4.414   8.070  -2.637
  269    HA   GLN  40           HA       GLN  40  -6.192   8.146  -0.229
  270   1HB   GLN  40          2HB       GLN  40  -5.519  10.525  -1.969
  271   2HB   GLN  40          1HB       GLN  40  -6.255  10.522  -0.365
  272   1HG   GLN  40          2HG       GLN  40  -3.907   9.165   0.097
  273   2HG   GLN  40          1HG       GLN  40  -3.412  10.330  -1.126
  274   1HE2  GLN  40          1HE2      GLN  40  -2.393  11.964   0.059
  275   2HE2  GLN  40          2HE2      GLN  40  -3.087  12.759   1.394
  276    H    CYS  41           H        CYS  41  -6.234   9.504  -3.564
  277    HA   CYS  41           HA       CYS  41  -9.126   9.156  -3.707
  278   1HB   CYS  41          2HB       CYS  41  -8.978  10.120  -5.890
  279   2HB   CYS  41          1HB       CYS  41  -7.784  10.964  -4.906
  280    H    PHE  42           H        PHE  42  -6.480   7.099  -4.178
  281    HA   PHE  42           HA       PHE  42  -6.278   4.937  -5.047
  282   1HB   PHE  42          2HB       PHE  42  -9.303   4.926  -4.885
  283   2HB   PHE  42          1HB       PHE  42  -8.235   3.524  -4.899
  284    HD1  PHE  42           HD1      PHE  42 -10.187   5.410  -2.786
  285    HD2  PHE  42           HD2      PHE  42  -6.180   3.882  -3.060
  286    HE1  PHE  42           HE1      PHE  42  -9.963   5.550  -0.320
  287    HE2  PHE  42           HE2      PHE  42  -5.958   4.023  -0.595
  288    HZ   PHE  42           HZ       PHE  42  -7.849   4.856   0.776
  289    H    GLN  43           H        GLN  43  -7.012   7.353  -6.891
  290    HA   GLN  43           HA       GLN  43  -8.358   6.075  -9.137
  291   1HB   GLN  43          2HB       GLN  43  -8.101   8.118 -10.270
  292   2HB   GLN  43          1HB       GLN  43  -8.183   8.625  -8.586
  293   1HG   GLN  43          2HG       GLN  43  -5.662   8.593  -8.531
  294   2HG   GLN  43          1HG       GLN  43  -5.682   8.290 -10.268
  295   1HE2  GLN  43          1HE2      GLN  43  -6.826   9.992 -11.628
  296   2HE2  GLN  43          2HE2      GLN  43  -6.812  11.599 -11.086
  297    H    GLN  44           H        GLN  44  -7.403   4.852 -10.711
  298    HA   GLN  44           HA       GLN  44  -4.584   4.165 -10.410
  299   1HB   GLN  44          2HB       GLN  44  -5.403   3.008 -12.788
  300   2HB   GLN  44          1HB       GLN  44  -5.465   2.240 -11.202
  301   1HG   GLN  44          2HG       GLN  44  -7.717   3.985 -12.227
  302   2HG   GLN  44          1HG       GLN  44  -7.644   2.259 -12.571
  303   1HE2  GLN  44          1HE2      GLN  44  -9.327   4.133 -10.616
  304   2HE2  GLN  44          2HE2      GLN  44  -9.323   3.234  -9.177
  305    H    PHE  45           H        PHE  45  -3.082   4.250 -12.300
  306    HA   PHE  45           HA       PHE  45  -3.652   6.544 -14.123
  307   1HB   PHE  45          2HB       PHE  45  -2.065   6.873 -11.968
  308   2HB   PHE  45          1HB       PHE  45  -0.872   6.236 -13.097
  309    HD1  PHE  45           HD1      PHE  45  -2.829   9.112 -12.134
  310    HD2  PHE  45           HD2      PHE  45  -0.637   7.351 -15.379
  311    HE1  PHE  45           HE1      PHE  45  -2.688  11.326 -13.240
  312    HE2  PHE  45           HE2      PHE  45  -0.494   9.565 -16.486
  313    HZ   PHE  45           HZ       PHE  45  -1.520  11.554 -15.416
  314    HA   PRO  46           HA       PRO  46  -2.394   3.438 -17.057
  315   1HB   PRO  46          2HB       PRO  46  -2.079   5.463 -19.064
  316   2HB   PRO  46          1HB       PRO  46  -3.416   4.326 -18.875
  317   1HG   PRO  46          2HG       PRO  46  -3.425   7.163 -18.339
  318   2HG   PRO  46          1HG       PRO  46  -4.765   6.021 -18.169
  319   1HD   PRO  46          2HD       PRO  46  -3.252   7.279 -16.069
  320   2HD   PRO  46          1HD       PRO  46  -4.578   6.110 -15.904
  321    H    GLU  47           H        GLU  47  -0.513   3.437 -18.822
  322    HA   GLU  47           HA       GLU  47   1.768   3.645 -19.310
  323   1HB   GLU  47          2HB       GLU  47   2.524   5.769 -19.242
  324   2HB   GLU  47          1HB       GLU  47   1.047   6.205 -18.392
  325   1HG   GLU  47          2HG       GLU  47   2.261   5.494 -16.238
  326   2HG   GLU  47          1HG       GLU  47   3.735   5.483 -17.205
  327    H    GLY  48           H        GLY  48   0.701   3.723 -15.964
  328   1HA   GLY  48          2HA       GLY  48   1.424   2.403 -14.163
  329   2HA   GLY  48          1HA       GLY  48   2.539   1.590 -15.261
  330    H    LEU  49           H        LEU  49   2.179   4.956 -14.063
  331    HA   LEU  49           HA       LEU  49   4.639   4.921 -12.584
  332   1HB   LEU  49          2HB       LEU  49   5.182   4.917 -15.251
  333   2HB   LEU  49          1HB       LEU  49   5.057   6.652 -14.963
  334    HG   LEU  49           HG       LEU  49   6.742   4.823 -13.232
  335   1HD1  LEU  49          1HD1      LEU  49   7.566   6.478 -15.639
  336   2HD1  LEU  49          2HD1      LEU  49   7.591   4.718 -15.531
  337   3HD1  LEU  49          3HD1      LEU  49   8.680   5.679 -14.531
  338   1HD2  LEU  49          1HD2      LEU  49   6.399   7.805 -13.563
  339   2HD2  LEU  49          2HD2      LEU  49   7.885   7.138 -12.887
  340   3HD2  LEU  49          3HD2      LEU  49   6.344   6.847 -12.083
  341    H    PHE  50           H        PHE  50   4.327   6.461 -11.109
  342    HA   PHE  50           HA       PHE  50   3.483   9.149 -11.865
  343   1HB   PHE  50          2HB       PHE  50   1.540   9.226 -10.326
  344   2HB   PHE  50          1HB       PHE  50   1.281   8.114 -11.658
  345    HD1  PHE  50           HD1      PHE  50   3.609   6.563  -9.482
  346    HD2  PHE  50           HD2      PHE  50  -0.571   7.514  -9.813
  347    HE1  PHE  50           HE1      PHE  50   3.055   4.751  -7.892
  348    HE2  PHE  50           HE2      PHE  50  -1.098   5.698  -8.208
  349    HZ   PHE  50           HZ       PHE  50   0.713   4.318  -7.264
  350    H    TYR  51           H        TYR  51   2.655   9.561  -8.942
  351    HA   TYR  51           HA       TYR  51   5.427   9.855  -7.964
  352   1HB   TYR  51          2HB       TYR  51   2.890  11.210  -7.514
  353   2HB   TYR  51          1HB       TYR  51   3.684  10.811  -5.992
  354    HD1  TYR  51           HD1      TYR  51   6.216  11.349  -5.807
  355    HD2  TYR  51           HD2      TYR  51   3.614  13.073  -8.759
  356    HE1  TYR  51           HE1      TYR  51   7.833  13.194  -6.155
  357    HE2  TYR  51           HE2      TYR  51   5.230  14.922  -9.104
  358    HH   TYR  51           HH       TYR  51   7.080  16.033  -7.677
  359    H    GLU  52           H        GLU  52   5.143   7.275  -8.015
  360    HA   GLU  52           HA       GLU  52   3.787   6.047  -5.794
  361   1HB   GLU  52          2HB       GLU  52   4.621   4.072  -6.637
  362   2HB   GLU  52          1HB       GLU  52   4.899   5.087  -8.046
  363   1HG   GLU  52          2HG       GLU  52   6.963   4.011  -7.739
  364   2HG   GLU  52          1HG       GLU  52   7.210   5.590  -6.993
  365    H    PHE  53           H        PHE  53   4.893   5.024  -3.897
  366    HA   PHE  53           HA       PHE  53   7.552   6.055  -3.180
  367   1HB   PHE  53          2HB       PHE  53   5.141   7.402  -2.310
  368   2HB   PHE  53          1HB       PHE  53   5.995   6.738  -0.918
  369    HD1  PHE  53           HD1      PHE  53   8.390   7.340  -0.512
  370    HD2  PHE  53           HD2      PHE  53   6.051   9.230  -3.584
  371    HE1  PHE  53           HE1      PHE  53  10.056   9.170  -0.657
  372    HE2  PHE  53           HE2      PHE  53   7.719  11.057  -3.728
  373    HZ   PHE  53           HZ       PHE  53   9.720  11.029  -2.265
  374    H    GLU  54           H        GLU  54   7.998   5.378  -0.775
  375    HA   GLU  54           HA       GLU  54   7.794   2.530  -0.654
  376   1HB   GLU  54          2HB       GLU  54   8.707   2.910   1.721
  377   2HB   GLU  54          1HB       GLU  54   9.694   3.478   0.375
  378   1HG   GLU  54          2HG       GLU  54   9.492   5.643   1.006
  379   2HG   GLU  54          1HG       GLU  54   7.755   5.486   1.266
  380    H    GLY  55           H        GLY  55   6.018   1.404  -0.140
  381   1HA   GLY  55          2HA       GLY  55   4.141   0.678   1.059
  382   2HA   GLY  55          1HA       GLY  55   4.651   1.761   2.351
  383    H    ARG  56           H        ARG  56   4.469   3.730  -0.251
  384    HA   ARG  56           HA       ARG  56   1.529   4.120  -0.153
  385   1HB   ARG  56          2HB       ARG  56   3.587   6.074   0.871
  386   2HB   ARG  56          1HB       ARG  56   2.046   6.644   0.235
  387   1HG   ARG  56          2HG       ARG  56   2.264   4.548   2.413
  388   2HG   ARG  56          1HG       ARG  56   2.091   6.270   2.742
  389   1HD   ARG  56          2HD       ARG  56  -0.140   5.735   2.720
  390   2HD   ARG  56          1HD       ARG  56   0.067   5.966   0.985
  391    HE   ARG  56           HE       ARG  56   0.697   3.290   1.398
  392   1HH1  ARG  56          1HH2      ARG  56  -1.955   5.384   2.107
  393   2HH1  ARG  56          2HH2      ARG  56  -3.141   4.126   2.014
  394   1HH2  ARG  56          2HH1      ARG  56  -0.836   1.646   1.271
  395   2HH2  ARG  56          1HH1      ARG  56  -2.508   2.011   1.540
  396    H    LYS  57           H        LYS  57   0.766   4.844  -2.093
  397    HA   LYS  57           HA       LYS  57   2.775   5.866  -4.055
  398   1HB   LYS  57          2HB       LYS  57   0.526   4.845  -5.458
  399   2HB   LYS  57          1HB       LYS  57   2.180   4.252  -5.500
  400   1HG   LYS  57          2HG       LYS  57   1.661   2.437  -4.251
  401   2HG   LYS  57          1HG       LYS  57   0.733   3.385  -3.099
  402   1HD   LYS  57          2HD       LYS  57  -0.457   3.012  -5.799
  403   2HD   LYS  57          1HD       LYS  57  -0.441   1.615  -4.729
  404   1HE   LYS  57          2HE       LYS  57  -2.448   3.352  -4.688
  405   2HE   LYS  57          1HE       LYS  57  -1.870   2.608  -3.205
  406   1HZ   LYS  57          1HZ       LYS  57  -1.676   5.339  -4.104
  407   2HZ   LYS  57          2HZ       LYS  57  -0.250   4.723  -3.427
  408   3HZ   LYS  57          3HZ       LYS  57  -1.687   4.714  -2.531
  409    H    TYR  58           H        TYR  58   2.081   7.620  -5.362
  410    HA   TYR  58           HA       TYR  58  -0.629   8.718  -4.795
  411   1HB   TYR  58          2HB       TYR  58   1.978  10.245  -4.516
  412   2HB   TYR  58          1HB       TYR  58   0.380  10.988  -4.485
  413    HD1  TYR  58           HD1      TYR  58   2.909   9.282  -2.585
  414    HD2  TYR  58           HD2      TYR  58  -1.297  10.182  -2.691
  415    HE1  TYR  58           HE1      TYR  58   2.731   8.748  -0.170
  416    HE2  TYR  58           HE2      TYR  58  -1.467   9.646  -0.276
  417    HH   TYR  58           HH       TYR  58   1.406   8.687   1.605
  418    H    CYS  59           H        CYS  59  -1.561   9.500  -6.640
  419    HA   CYS  59           HA       CYS  59  -0.003   9.420  -9.124
  420   1HB   CYS  59          2HB       CYS  59  -2.181  10.135 -10.168
  421   2HB   CYS  59          1HB       CYS  59  -2.301   8.642  -9.234
  422    H    GLU  60           H        GLU  60  -0.477  11.477 -10.633
  423    HA   GLU  60           HA       GLU  60   0.947  13.659  -9.513
  424   1HB   GLU  60          2HB       GLU  60   0.524  13.150 -11.992
  425   2HB   GLU  60          1HB       GLU  60  -1.048  13.921 -11.776
  426   1HG   GLU  60          2HG       GLU  60   0.626  15.533 -12.622
  427   2HG   GLU  60          1HG       GLU  60   0.059  15.990 -11.016
  428    H    HIS  61           H        HIS  61  -2.360  12.751  -9.168
  429    HA   HIS  61           HA       HIS  61  -3.467  15.361  -8.641
  430   1HB   HIS  61          2HB       HIS  61  -5.240  13.949  -8.932
  431   2HB   HIS  61          1HB       HIS  61  -4.336  12.548  -8.371
  432    HD2  HIS  61           HD2      HIS  61  -5.940  15.727  -6.560
  433    HE1  HIS  61           HE1      HIS  61  -6.278  12.374  -4.020
  434    HE2  HIS  61           HE2      HIS  61  -6.809  14.842  -4.265
  435    H    ASP  62           H        ASP  62  -2.888  12.752  -6.258
  436    HA   ASP  62           HA       ASP  62  -3.100  14.359  -3.972
  437   1HB   ASP  62          2HB       ASP  62  -2.531  11.720  -4.442
  438   2HB   ASP  62          1HB       ASP  62  -1.010  12.311  -3.788
  439    H    PHE  63           H        PHE  63  -0.171  13.604  -5.848
  440    HA   PHE  63           HA       PHE  63   1.566  15.136  -4.165
  441   1HB   PHE  63          2HB       PHE  63   1.858  13.445  -6.376
  442   2HB   PHE  63          1HB       PHE  63   2.492  15.003  -6.909
  443    HD1  PHE  63           HD1      PHE  63   4.479  15.966  -5.905
  444    HD2  PHE  63           HD2      PHE  63   2.790  12.329  -4.367
  445    HE1  PHE  63           HE1      PHE  63   6.513  15.601  -4.537
  446    HE2  PHE  63           HE2      PHE  63   4.826  11.963  -3.001
  447    HZ   PHE  63           HZ       PHE  63   6.686  13.598  -3.083
  448    H    GLN  64           H        GLN  64  -0.363  16.049  -7.045
  449    HA   GLN  64           HA       GLN  64   0.889  18.706  -7.066
  450   1HB   GLN  64          2HB       GLN  64  -0.446  19.210  -8.941
  451   2HB   GLN  64          1HB       GLN  64  -0.115  17.491  -9.122
  452   1HG   GLN  64          2HG       GLN  64  -2.355  17.214  -9.282
  453   2HG   GLN  64          1HG       GLN  64  -2.423  17.557  -7.557
  454   1HE2  GLN  64          1HE2      GLN  64  -2.375  19.294 -10.717
  455   2HE2  GLN  64          2HE2      GLN  64  -3.374  20.563 -10.199
  456    H    MET  65           H        MET  65  -1.287  17.231  -5.101
  457    HA   MET  65           HA       MET  65  -3.043  19.548  -4.630
  458   1HB   MET  65          2HB       MET  65  -2.866  16.742  -3.658
  459   2HB   MET  65          1HB       MET  65  -3.445  17.915  -2.477
  460   1HG   MET  65          2HG       MET  65  -5.054  18.730  -4.296
  461   2HG   MET  65          1HG       MET  65  -4.619  17.271  -5.189
  462   1HE   MET  65          1HE       MET  65  -8.194  16.630  -3.755
  463   2HE   MET  65          2HE       MET  65  -7.236  17.198  -5.121
  464   3HE   MET  65          3HE       MET  65  -7.602  18.297  -3.793
  465    H    LEU  66           H        LEU  66  -0.233  17.931  -3.313
  466    HA   LEU  66           HA       LEU  66   0.021  19.765  -1.023
  467   1HB   LEU  66          2HB       LEU  66   2.296  18.087  -2.063
  468   2HB   LEU  66          1HB       LEU  66   1.864  18.459  -0.395
  469    HG   LEU  66           HG       LEU  66   0.337  16.614  -2.250
  470   1HD1  LEU  66          1HD1      LEU  66   1.124  14.833  -0.758
  471   2HD1  LEU  66          2HD1      LEU  66   1.996  16.014   0.218
  472   3HD1  LEU  66          3HD1      LEU  66   2.498  15.699  -1.444
  473   1HD2  LEU  66          1HD2      LEU  66  -1.220  17.654  -0.732
  474   2HD2  LEU  66          2HD2      LEU  66  -0.111  17.467   0.627
  475   3HD2  LEU  66          3HD2      LEU  66  -0.880  16.048  -0.085
  476    H    PHE  67           H        PHE  67   1.929  18.989  -3.920
  477    HA   PHE  67           HA       PHE  67   2.135  21.480  -5.074
  478   1HB   PHE  67          2HB       PHE  67   3.589  21.471  -2.595
  479   2HB   PHE  67          1HB       PHE  67   4.755  21.558  -3.911
  480    HD1  PHE  67           HD1      PHE  67   2.840  23.527  -1.787
  481    HD2  PHE  67           HD2      PHE  67   3.866  23.162  -5.944
  482    HE1  PHE  67           HE1      PHE  67   2.291  25.920  -2.133
  483    HE2  PHE  67           HE2      PHE  67   3.317  25.555  -6.289
  484    HZ   PHE  67           HZ       PHE  67   2.530  26.934  -4.384
  485    H    ALA  68           H        ALA  68   2.381  20.318  -6.962
  486    HA   ALA  68           HA       ALA  68   5.032  19.037  -7.378
  487   1HB   ALA  68          1HB       ALA  68   4.088  17.058  -8.350
  488   2HB   ALA  68          2HB       ALA  68   2.458  17.730  -8.289
  489   3HB   ALA  68          3HB       ALA  68   3.285  17.288  -6.798
  490    HA   PRO  69           HA       PRO  69   4.206  21.935 -10.781
  491   1HB   PRO  69          2HB       PRO  69   6.978  21.634 -11.503
  492   2HB   PRO  69          1HB       PRO  69   6.195  23.032 -10.755
  493   1HG   PRO  69          2HG       PRO  69   8.006  21.162  -9.515
  494   2HG   PRO  69          1HG       PRO  69   7.212  22.557  -8.772
  495   1HD   PRO  69          2HD       PRO  69   6.626  19.763  -8.360
  496   2HD   PRO  69          1HD       PRO  69   5.838  21.165  -7.608
  497    H    CYS  70           H        CYS  70   3.047  20.613 -12.192
  498    HA   CYS  70           HA       CYS  70   2.723  19.286 -14.096
  499   1HB   CYS  70          2HB       CYS  70   4.407  19.245 -15.618
  500   2HB   CYS  70          1HB       CYS  70   5.266  20.263 -14.464
  501    HG   CYS  70           HG       CYS  70   6.190  17.871 -13.462
  Start of MODEL   18
    1    H    MET   1           1H       MET   1   5.040 -19.406   3.898
    2    HA   MET   1           HA       MET   1   4.503 -21.409   4.812
    3   1HB   MET   1          2HB       MET   1   3.106 -21.595   6.872
    4   2HB   MET   1          1HB       MET   1   4.571 -20.649   7.136
    5   1HG   MET   1          2HG       MET   1   3.283 -18.563   6.849
    6   2HG   MET   1          1HG       MET   1   1.817 -19.504   6.572
    7   1HE   MET   1          1HE       MET   1   1.952 -17.256   8.718
    8   2HE   MET   1          2HE       MET   1   1.091 -18.037  10.041
    9   3HE   MET   1          3HE       MET   1   0.547 -18.278   8.383
   10    H    ALA   2           H        ALA   2   2.468 -22.709   4.689
   11    HA   ALA   2           HA       ALA   2   0.419 -23.213   3.672
   12   1HB   ALA   2          1HB       ALA   2  -0.194 -21.222   5.315
   13   2HB   ALA   2          2HB       ALA   2  -1.361 -21.794   4.124
   14   3HB   ALA   2          3HB       ALA   2  -0.420 -20.338   3.805
   15    H    ASN   3           H        ASN   3  -1.090 -22.228   1.770
   16    HA   ASN   3           HA       ASN   3   0.819 -21.395  -0.378
   17   1HB   ASN   3          2HB       ASN   3  -0.561 -23.639  -0.438
   18   2HB   ASN   3          1HB       ASN   3  -1.887 -22.584  -0.930
   19   1HD2  ASN   3          1HD2      ASN   3   1.515 -23.386  -1.800
   20   2HD2  ASN   3          2HD2      ASN   3   1.332 -23.038  -3.451
   21    H    ALA   4           H        ALA   4  -0.840 -19.721   1.590
   22    HA   ALA   4           HA       ALA   4  -2.831 -18.383  -0.073
   23   1HB   ALA   4          1HB       ALA   4  -3.038 -16.832   1.811
   24   2HB   ALA   4          2HB       ALA   4  -1.566 -17.481   2.534
   25   3HB   ALA   4          3HB       ALA   4  -3.007 -18.491   2.411
   26    H    LEU   5           H        LEU   5   0.308 -18.485  -0.572
   27    HA   LEU   5           HA       LEU   5   1.180 -15.746  -0.581
   28   1HB   LEU   5          2HB       LEU   5   2.080 -18.085  -2.295
   29   2HB   LEU   5          1HB       LEU   5   2.946 -16.557  -2.122
   30    HG   LEU   5           HG       LEU   5   2.224 -17.925   0.415
   31   1HD1  LEU   5          1HD1      LEU   5   4.363 -18.993  -1.456
   32   2HD1  LEU   5          2HD1      LEU   5   2.909 -19.850  -0.943
   33   3HD1  LEU   5          3HD1      LEU   5   4.166 -19.466   0.232
   34   1HD2  LEU   5          1HD2      LEU   5   4.776 -16.658  -0.637
   35   2HD2  LEU   5          2HD2      LEU   5   4.464 -17.124   1.035
   36   3HD2  LEU   5          3HD2      LEU   5   3.539 -15.818   0.296
   37    H    ALA   6           H        ALA   6  -0.617 -17.724  -2.879
   38    HA   ALA   6           HA       ALA   6  -1.737 -17.158  -4.857
   39   1HB   ALA   6          1HB       ALA   6  -2.842 -15.101  -4.878
   40   2HB   ALA   6          2HB       ALA   6  -1.484 -14.249  -4.144
   41   3HB   ALA   6          3HB       ALA   6  -2.502 -15.299  -3.159
   42    H    SER   7           H        SER   7   1.342 -16.915  -4.532
   43    HA   SER   7           HA       SER   7   3.156 -16.409  -5.920
   44   1HB   SER   7          2HB       SER   7   2.818 -16.782  -8.177
   45   2HB   SER   7          1HB       SER   7   1.328 -17.473  -7.544
   46    HG   SER   7           HG       SER   7   0.439 -15.290  -7.855
   47    H    ALA   8           H        ALA   8   3.708 -14.593  -7.806
   48    HA   ALA   8           HA       ALA   8   3.506 -12.068  -6.389
   49   1HB   ALA   8          1HB       ALA   8   5.439 -12.851  -7.884
   50   2HB   ALA   8          2HB       ALA   8   4.904 -11.187  -8.113
   51   3HB   ALA   8          3HB       ALA   8   4.410 -12.437  -9.255
   52    H    THR   9           H        THR   9   1.706 -10.818  -6.443
   53    HA   THR   9           HA       THR   9   0.181 -10.668  -9.011
   54    HB   THR   9           HB       THR   9  -1.894 -10.425  -7.570
   55    HG1  THR   9           HG1      THR   9  -0.372 -11.644  -5.552
   56   1HG2  THR   9          1HG2      THR   9  -1.869 -12.936  -6.921
   57   2HG2  THR   9          2HG2      THR   9  -0.268 -12.959  -7.660
   58   3HG2  THR   9          3HG2      THR   9  -1.678 -12.517  -8.624
   59    H    CYS  10           H        CYS  10  -1.034  -8.653  -9.259
   60    HA   CYS  10           HA       CYS  10   0.506  -6.327  -8.647
   61   1HB   CYS  10          2HB       CYS  10  -1.093  -6.574 -10.552
   62   2HB   CYS  10          1HB       CYS  10  -2.410  -6.439  -9.398
   63    H    GLU  11           H        GLU  11  -0.123  -4.471  -7.346
   64    HA   GLU  11           HA       GLU  11  -0.868  -5.203  -4.661
   65   1HB   GLU  11          2HB       GLU  11   0.563  -3.398  -4.637
   66   2HB   GLU  11          1HB       GLU  11  -0.114  -2.704  -6.106
   67   1HG   GLU  11          2HG       GLU  11  -2.073  -1.921  -4.880
   68   2HG   GLU  11          1HG       GLU  11  -1.519  -2.729  -3.415
   69    H    ARG  12           H        ARG  12  -2.467  -3.008  -6.988
   70    HA   ARG  12           HA       ARG  12  -4.901  -3.021  -5.351
   71   1HB   ARG  12          2HB       ARG  12  -3.940  -1.010  -6.589
   72   2HB   ARG  12          1HB       ARG  12  -4.533  -1.760  -8.069
   73   1HG   ARG  12          2HG       ARG  12  -6.612  -1.830  -6.083
   74   2HG   ARG  12          1HG       ARG  12  -5.997  -0.184  -6.213
   75   1HD   ARG  12          2HD       ARG  12  -6.154  -0.644  -8.807
   76   2HD   ARG  12          1HD       ARG  12  -7.306  -1.886  -8.313
   77    HE   ARG  12           HE       ARG  12  -8.146   0.385  -6.954
   78   1HH1  ARG  12          1HH2      ARG  12  -7.452  -0.464 -10.227
   79   2HH1  ARG  12          2HH2      ARG  12  -8.592   0.654 -10.896
   80   1HH2  ARG  12          2HH1      ARG  12  -9.632   1.846  -7.813
   81   2HH2  ARG  12          1HH1      ARG  12  -9.825   1.961  -9.530
   82    H    CYS  13           H        CYS  13  -3.951  -4.219  -8.577
   83    HA   CYS  13           HA       CYS  13  -6.661  -5.326  -8.952
   84   1HB   CYS  13          2HB       CYS  13  -6.174  -5.388 -11.171
   85   2HB   CYS  13          1HB       CYS  13  -4.878  -4.286 -10.716
   86    H    LYS  14           H        LYS  14  -3.592  -6.415  -7.782
   87    HA   LYS  14           HA       LYS  14  -2.835  -8.551  -7.163
   88   1HB   LYS  14          2HB       LYS  14  -5.836  -8.878  -6.917
   89   2HB   LYS  14          1HB       LYS  14  -4.690 -10.115  -6.403
   90   1HG   LYS  14          2HG       LYS  14  -4.464  -7.263  -5.433
   91   2HG   LYS  14          1HG       LYS  14  -5.493  -8.437  -4.612
   92   1HD   LYS  14          2HD       LYS  14  -3.620  -9.890  -4.177
   93   2HD   LYS  14          1HD       LYS  14  -2.561  -8.922  -5.197
   94   1HE   LYS  14          2HE       LYS  14  -3.689  -7.146  -3.292
   95   2HE   LYS  14          1HE       LYS  14  -3.161  -8.576  -2.404
   96   1HZ   LYS  14          1HZ       LYS  14  -1.432  -6.822  -2.733
   97   2HZ   LYS  14          2HZ       LYS  14  -1.461  -7.185  -4.392
   98   3HZ   LYS  14          3HZ       LYS  14  -0.990  -8.369  -3.268
   99    H    GLY  15           H        GLY  15  -2.950  -8.078  -9.939
  100   1HA   GLY  15          2HA       GLY  15  -4.111 -10.509 -11.153
  101   2HA   GLY  15          1HA       GLY  15  -3.327  -9.191 -12.024
  102    H    GLY  16           H        GLY  16  -2.927 -12.351 -11.256
  103   1HA   GLY  16          2HA       GLY  16  -0.241 -12.562 -10.355
  104   2HA   GLY  16          1HA       GLY  16  -1.068 -13.787 -11.321
  105    H    PHE  17           H        PHE  17   1.320 -11.362 -11.344
  106    HA   PHE  17           HA       PHE  17   1.504 -11.514 -14.326
  107   1HB   PHE  17          2HB       PHE  17   2.955  -9.380 -13.978
  108   2HB   PHE  17          1HB       PHE  17   1.207  -9.241 -13.875
  109    HD1  PHE  17           HD1      PHE  17   1.415  -7.174 -12.539
  110    HD2  PHE  17           HD2      PHE  17   3.034 -10.899 -11.134
  111    HE1  PHE  17           HE1      PHE  17   1.643  -6.226 -10.269
  112    HE2  PHE  17           HE2      PHE  17   3.257  -9.944  -8.872
  113    HZ   PHE  17           HZ       PHE  17   2.559  -7.618  -8.437
  114    H    ALA  18           H        ALA  18   4.065 -10.683 -14.729
  115    HA   ALA  18           HA       ALA  18   6.038 -11.863 -13.032
  116   1HB   ALA  18          1HB       ALA  18   4.634 -13.701 -14.794
  117   2HB   ALA  18          2HB       ALA  18   5.822 -14.048 -13.539
  118   3HB   ALA  18          3HB       ALA  18   6.356 -13.651 -15.173
  119    HA   PRO  19           HA       PRO  19   7.947 -10.915 -17.411
  120   1HB   PRO  19          2HB       PRO  19   5.897  -9.584 -18.946
  121   2HB   PRO  19          1HB       PRO  19   6.763 -11.074 -19.339
  122   1HG   PRO  19          2HG       PRO  19   4.025 -10.814 -18.496
  123   2HG   PRO  19          1HG       PRO  19   4.908 -12.304 -18.855
  124   1HD   PRO  19          2HD       PRO  19   4.078 -11.323 -16.280
  125   2HD   PRO  19          1HD       PRO  19   4.965 -12.815 -16.642
  126    H    ALA  20           H        ALA  20   9.002  -8.920 -17.676
  127    HA   ALA  20           HA       ALA  20   8.551  -6.850 -15.798
  128   1HB   ALA  20          1HB       ALA  20  10.143  -5.532 -17.130
  129   2HB   ALA  20          2HB       ALA  20   9.956  -6.653 -18.480
  130   3HB   ALA  20          3HB       ALA  20  10.700  -7.199 -16.977
  131    H    GLU  21           H        GLU  21   6.975  -7.462 -18.817
  132    HA   GLU  21           HA       GLU  21   6.099  -4.728 -19.293
  133   1HB   GLU  21          2HB       GLU  21   6.216  -6.840 -20.914
  134   2HB   GLU  21          1HB       GLU  21   4.571  -7.088 -20.332
  135   1HG   GLU  21          2HG       GLU  21   4.752  -4.334 -20.902
  136   2HG   GLU  21          1HG       GLU  21   5.557  -5.143 -22.244
  137    H    LYS  22           H        LYS  22   4.864  -7.558 -17.602
  138    HA   LYS  22           HA       LYS  22   2.385  -6.087 -16.889
  139   1HB   LYS  22          2HB       LYS  22   3.177  -8.957 -16.303
  140   2HB   LYS  22          1HB       LYS  22   1.592  -8.241 -16.018
  141   1HG   LYS  22          2HG       LYS  22   2.877  -8.312 -18.758
  142   2HG   LYS  22          1HG       LYS  22   1.824  -9.598 -18.169
  143   1HD   LYS  22          2HD       LYS  22  -0.015  -8.386 -18.635
  144   2HD   LYS  22          1HD       LYS  22   0.590  -7.024 -17.695
  145   1HE   LYS  22          2HE       LYS  22   1.865  -7.461 -20.348
  146   2HE   LYS  22          1HE       LYS  22   0.196  -6.895 -20.365
  147   1HZ   LYS  22          1HZ       LYS  22   1.959  -5.125 -20.302
  148   2HZ   LYS  22          2HZ       LYS  22   2.298  -5.620 -18.712
  149   3HZ   LYS  22          3HZ       LYS  22   0.763  -5.010 -19.105
  150    H    ILE  23           H        ILE  23   5.349  -7.384 -15.527
  151    HA   ILE  23           HA       ILE  23   4.531  -6.688 -12.779
  152    HB   ILE  23           HB       ILE  23   6.615  -8.326 -14.038
  153   1HG1  ILE  23          2HG1      ILE  23   4.757  -9.072 -12.499
  154   2HG1  ILE  23          1HG1      ILE  23   6.361  -9.622 -12.020
  155   1HG2  ILE  23          1HG2      ILE  23   7.373  -6.417 -11.822
  156   2HG2  ILE  23          2HG2      ILE  23   8.244  -6.765 -13.317
  157   3HG2  ILE  23          3HG2      ILE  23   8.190  -7.965 -12.028
  158   1HD1  ILE  23          1HD1      ILE  23   5.358  -8.821 -10.017
  159   2HD1  ILE  23          2HD1      ILE  23   4.724  -7.383 -10.816
  160   3HD1  ILE  23          3HD1      ILE  23   6.455  -7.537 -10.518
  161    H    VAL  24           H        VAL  24   4.720  -4.617 -12.130
  162    HA   VAL  24           HA       VAL  24   7.017  -3.000 -13.173
  163    HB   VAL  24           HB       VAL  24   4.344  -1.820 -12.391
  164   1HG1  VAL  24          1HG1      VAL  24   6.441  -0.411 -12.569
  165   2HG1  VAL  24          2HG1      VAL  24   5.107   0.096 -13.603
  166   3HG1  VAL  24          3HG1      VAL  24   6.464  -0.797 -14.291
  167   1HG2  VAL  24          1HG2      VAL  24   5.231  -2.830 -15.112
  168   2HG2  VAL  24          2HG2      VAL  24   3.876  -1.725 -14.873
  169   3HG2  VAL  24          3HG2      VAL  24   3.818  -3.351 -14.193
  170    H    ASN  25           H        ASN  25   7.850  -4.090 -11.035
  171    HA   ASN  25           HA       ASN  25   6.725  -3.000  -8.572
  172   1HB   ASN  25          2HB       ASN  25   7.704  -5.114  -8.316
  173   2HB   ASN  25          1HB       ASN  25   9.150  -4.668  -9.219
  174   1HD2  ASN  25          1HD2      ASN  25   7.487  -3.001  -6.478
  175   2HD2  ASN  25          2HD2      ASN  25   8.857  -2.968  -5.477
  176    H    SER  26           H        SER  26   7.382  -1.209  -7.483
  177    HA   SER  26           HA       SER  26   9.935   0.103  -8.132
  178   1HB   SER  26          2HB       SER  26   9.065   2.026  -9.122
  179   2HB   SER  26          1HB       SER  26   7.967   0.804  -9.767
  180    HG   SER  26           HG       SER  26   6.703   1.318  -7.762
  181    H    ASN  27           H        ASN  27  10.601   1.498  -6.463
  182    HA   ASN  27           HA       ASN  27  10.683   2.348  -4.284
  183   1HB   ASN  27          2HB       ASN  27   7.946   2.810  -5.206
  184   2HB   ASN  27          1HB       ASN  27   8.060   2.672  -3.454
  185   1HD2  ASN  27          1HD2      ASN  27   8.550   4.809  -6.091
  186   2HD2  ASN  27          2HD2      ASN  27   9.397   6.016  -5.251
  187    H    GLY  28           H        GLY  28   7.571   0.789  -3.749
  188   1HA   GLY  28          2HA       GLY  28   8.777  -1.588  -2.534
  189   2HA   GLY  28          1HA       GLY  28   8.094  -0.461  -1.363
  190    H    GLU  29           H        GLU  29   6.849  -1.197  -4.610
  191    HA   GLU  29           HA       GLU  29   4.650  -2.805  -3.499
  192   1HB   GLU  29          2HB       GLU  29   4.358   0.042  -4.233
  193   2HB   GLU  29          1HB       GLU  29   3.161  -1.026  -4.963
  194   1HG   GLU  29          2HG       GLU  29   2.110  -1.360  -2.991
  195   2HG   GLU  29          1HG       GLU  29   3.631  -1.632  -2.139
  196    H    LEU  30           H        LEU  30   3.272  -3.686  -5.274
  197    HA   LEU  30           HA       LEU  30   4.794  -3.827  -7.851
  198   1HB   LEU  30          2HB       LEU  30   3.467  -5.874  -6.158
  199   2HB   LEU  30          1HB       LEU  30   3.204  -6.026  -7.893
  200    HG   LEU  30           HG       LEU  30   5.636  -5.974  -8.276
  201   1HD1  LEU  30          1HD1      LEU  30   6.453  -4.657  -6.461
  202   2HD1  LEU  30          2HD1      LEU  30   7.085  -6.277  -6.178
  203   3HD1  LEU  30          3HD1      LEU  30   5.691  -5.701  -5.263
  204   1HD2  LEU  30          1HD2      LEU  30   4.568  -8.004  -6.304
  205   2HD2  LEU  30          2HD2      LEU  30   6.164  -8.156  -7.040
  206   3HD2  LEU  30          3HD2      LEU  30   4.720  -8.168  -8.052
  207    H    TYR  31           H        TYR  31   3.690  -3.158  -9.660
  208    HA   TYR  31           HA       TYR  31   0.719  -3.206  -9.607
  209   1HB   TYR  31          2HB       TYR  31   1.644  -0.747 -10.837
  210   2HB   TYR  31          1HB       TYR  31   0.414  -0.957  -9.607
  211    HD1  TYR  31           HD1      TYR  31   4.099  -1.453  -9.763
  212    HD2  TYR  31           HD2      TYR  31   0.828   0.375  -7.704
  213    HE1  TYR  31           HE1      TYR  31   5.689  -0.498  -8.139
  214    HE2  TYR  31           HE2      TYR  31   2.420   1.341  -6.051
  215    HH   TYR  31           HH       TYR  31   5.573   0.285  -5.732
  216    H    HIS  32           H        HIS  32  -0.114  -2.599 -11.833
  217    HA   HIS  32           HA       HIS  32   1.537  -3.924 -13.906
  218   1HB   HIS  32          2HB       HIS  32  -1.388  -3.305 -13.567
  219   2HB   HIS  32          1HB       HIS  32  -0.748  -3.541 -15.189
  220    HD2  HIS  32           HD2      HIS  32   0.565  -6.184 -15.499
  221    HE1  HIS  32           HE1      HIS  32  -1.700  -7.881 -12.370
  222    HE2  HIS  32           HE2      HIS  32  -0.200  -8.399 -14.350
  223    H    GLU  33           H        GLU  33   0.635  -2.710 -16.181
  224    HA   GLU  33           HA       GLU  33   1.955  -0.115 -16.031
  225   1HB   GLU  33          2HB       GLU  33   0.437  -0.740 -18.498
  226   2HB   GLU  33          1HB       GLU  33   2.119  -0.246 -18.312
  227   1HG   GLU  33          2HG       GLU  33   2.697  -2.551 -17.577
  228   2HG   GLU  33          1HG       GLU  33   1.018  -3.034 -17.826
  229    H    GLN  34           H        GLN  34  -1.191  -1.248 -15.535
  230    HA   GLN  34           HA       GLN  34  -2.213   1.541 -15.555
  231   1HB   GLN  34          2HB       GLN  34  -2.837   0.232 -17.702
  232   2HB   GLN  34          1HB       GLN  34  -3.891  -0.718 -16.655
  233   1HG   GLN  34          2HG       GLN  34  -4.421   1.939 -15.943
  234   2HG   GLN  34          1HG       GLN  34  -4.274   1.977 -17.699
  235   1HE2  GLN  34          1HE2      GLN  34  -5.830  -0.066 -15.155
  236   2HE2  GLN  34          2HE2      GLN  34  -7.239  -0.362 -16.054
  237    H    CYS  35           H        CYS  35  -1.454   0.346 -13.271
  238    HA   CYS  35           HA       CYS  35  -4.054  -0.283 -11.950
  239   1HB   CYS  35          2HB       CYS  35  -1.467  -1.801 -11.741
  240   2HB   CYS  35          1HB       CYS  35  -2.657  -1.858 -10.449
  241    H    PHE  36           H        PHE  36  -0.955   1.240 -11.951
  242    HA   PHE  36           HA       PHE  36  -0.399   1.845  -9.306
  243   1HB   PHE  36          2HB       PHE  36  -0.241   3.525 -11.800
  244   2HB   PHE  36          1HB       PHE  36   0.193   4.206 -10.242
  245    HD1  PHE  36           HD1      PHE  36   0.840   1.142 -12.317
  246    HD2  PHE  36           HD2      PHE  36   2.374   3.990  -9.506
  247    HE1  PHE  36           HE1      PHE  36   3.078   0.083 -12.465
  248    HE2  PHE  36           HE2      PHE  36   4.614   2.932  -9.644
  249    HZ   PHE  36           HZ       PHE  36   4.965   0.978 -11.127
  250    H    VAL  37           H        VAL  37  -1.986   2.262  -7.807
  251    HA   VAL  37           HA       VAL  37  -4.081   4.271  -8.510
  252    HB   VAL  37           HB       VAL  37  -4.953   3.232  -6.167
  253   1HG1  VAL  37          1HG1      VAL  37  -5.421   1.805  -8.795
  254   2HG1  VAL  37          2HG1      VAL  37  -6.060   3.416  -8.478
  255   3HG1  VAL  37          3HG1      VAL  37  -6.560   2.057  -7.474
  256   1HG2  VAL  37          1HG2      VAL  37  -4.382   1.003  -5.862
  257   2HG2  VAL  37          2HG2      VAL  37  -2.854   1.628  -6.474
  258   3HG2  VAL  37          3HG2      VAL  37  -3.949   0.771  -7.555
  259    H    CYS  38           H        CYS  38  -4.818   5.628  -6.692
  260    HA   CYS  38           HA       CYS  38  -2.497   6.801  -5.294
  261   1HB   CYS  38          2HB       CYS  38  -3.987   8.303  -6.467
  262   2HB   CYS  38          1HB       CYS  38  -5.380   7.655  -5.614
  263    H    ALA  39           H        ALA  39  -2.127   6.425  -3.156
  264    HA   ALA  39           HA       ALA  39  -3.591   4.550  -1.612
  265   1HB   ALA  39          1HB       ALA  39  -1.506   4.873  -0.692
  266   2HB   ALA  39          2HB       ALA  39  -2.416   5.974   0.340
  267   3HB   ALA  39          3HB       ALA  39  -1.507   6.604  -1.033
  268    H    GLN  40           H        GLN  40  -4.424   7.756  -2.425
  269    HA   GLN  40           HA       GLN  40  -6.305   7.925  -0.102
  270   1HB   GLN  40          2HB       GLN  40  -5.487  10.197  -1.926
  271   2HB   GLN  40          1HB       GLN  40  -6.309  10.305  -0.370
  272   1HG   GLN  40          2HG       GLN  40  -4.237   9.175   0.634
  273   2HG   GLN  40          1HG       GLN  40  -3.444   9.503  -0.906
  274   1HE2  GLN  40          1HE2      GLN  40  -2.233  11.391  -0.783
  275   2HE2  GLN  40          2HE2      GLN  40  -2.672  12.781   0.088
  276    H    CYS  41           H        CYS  41  -6.280   9.214  -3.464
  277    HA   CYS  41           HA       CYS  41  -9.178   8.917  -3.616
  278   1HB   CYS  41          2HB       CYS  41  -9.016   9.898  -5.791
  279   2HB   CYS  41          1HB       CYS  41  -7.828  10.726  -4.790
  280    H    PHE  42           H        PHE  42  -6.614   6.776  -4.021
  281    HA   PHE  42           HA       PHE  42  -6.435   4.641  -4.976
  282   1HB   PHE  42          2HB       PHE  42  -9.449   4.715  -4.661
  283   2HB   PHE  42          1HB       PHE  42  -8.452   3.270  -4.838
  284    HD1  PHE  42           HD1      PHE  42 -10.056   5.307  -2.489
  285    HD2  PHE  42           HD2      PHE  42  -6.357   3.217  -3.127
  286    HE1  PHE  42           HE1      PHE  42  -9.647   5.281  -0.043
  287    HE2  PHE  42           HE2      PHE  42  -5.949   3.192  -0.682
  288    HZ   PHE  42           HZ       PHE  42  -7.594   4.223   0.860
  289    H    GLN  43           H        GLN  43  -7.072   7.055  -6.771
  290    HA   GLN  43           HA       GLN  43  -8.553   5.877  -9.001
  291   1HB   GLN  43          2HB       GLN  43  -8.501   8.344  -8.558
  292   2HB   GLN  43          1HB       GLN  43  -6.782   8.345  -8.955
  293   1HG   GLN  43          2HG       GLN  43  -7.183   7.788 -11.218
  294   2HG   GLN  43          1HG       GLN  43  -8.823   7.234 -10.881
  295   1HE2  GLN  43          1HE2      GLN  43  -6.953   9.959 -11.854
  296   2HE2  GLN  43          2HE2      GLN  43  -8.191  11.117 -11.773
  297    H    GLN  44           H        GLN  44  -7.658   4.685 -10.648
  298    HA   GLN  44           HA       GLN  44  -4.819   3.989 -10.463
  299   1HB   GLN  44          2HB       GLN  44  -5.623   2.742 -12.718
  300   2HB   GLN  44          1HB       GLN  44  -5.889   2.073 -11.110
  301   1HG   GLN  44          2HG       GLN  44  -8.149   2.798 -11.068
  302   2HG   GLN  44          1HG       GLN  44  -7.900   3.921 -12.406
  303   1HE2  GLN  44          1HE2      GLN  44  -7.148   2.736 -14.541
  304   2HE2  GLN  44          2HE2      GLN  44  -7.936   1.274 -14.892
  305    H    PHE  45           H        PHE  45  -3.432   4.097 -12.439
  306    HA   PHE  45           HA       PHE  45  -4.181   6.284 -14.300
  307   1HB   PHE  45          2HB       PHE  45  -1.748   6.196 -12.511
  308   2HB   PHE  45          1HB       PHE  45  -1.819   7.208 -13.956
  309    HD1  PHE  45           HD1      PHE  45  -3.158   6.675 -10.570
  310    HD2  PHE  45           HD2      PHE  45  -3.412   9.046 -14.134
  311    HE1  PHE  45           HE1      PHE  45  -4.492   8.369  -9.345
  312    HE2  PHE  45           HE2      PHE  45  -4.740  10.749 -12.911
  313    HZ   PHE  45           HZ       PHE  45  -5.281  10.407 -10.514
  314    HA   PRO  46           HA       PRO  46  -2.648   3.267 -17.162
  315   1HB   PRO  46          2HB       PRO  46  -2.447   5.282 -19.185
  316   2HB   PRO  46          1HB       PRO  46  -3.704   4.052 -19.000
  317   1HG   PRO  46          2HG       PRO  46  -3.929   6.883 -18.506
  318   2HG   PRO  46          1HG       PRO  46  -5.179   5.648 -18.312
  319   1HD   PRO  46          2HD       PRO  46  -3.753   7.052 -16.240
  320   2HD   PRO  46          1HD       PRO  46  -5.004   5.806 -16.052
  321    H    GLU  47           H        GLU  47  -1.052   6.247 -16.357
  322    HA   GLU  47           HA       GLU  47   1.265   5.991 -17.989
  323   1HB   GLU  47          2HB       GLU  47   2.286   7.595 -16.562
  324   2HB   GLU  47          1HB       GLU  47   0.572   7.995 -16.572
  325   1HG   GLU  47          2HG       GLU  47   0.440   6.464 -14.465
  326   2HG   GLU  47          1HG       GLU  47   2.187   6.689 -14.394
  327    H    GLY  48           H        GLY  48   0.218   4.169 -15.263
  328   1HA   GLY  48          2HA       GLY  48   1.185   2.371 -14.116
  329   2HA   GLY  48          1HA       GLY  48   2.172   2.152 -15.557
  330    H    LEU  49           H        LEU  49   2.340   5.163 -13.821
  331    HA   LEU  49           HA       LEU  49   4.396   4.564 -11.957
  332   1HB   LEU  49          2HB       LEU  49   5.460   4.169 -14.397
  333   2HB   LEU  49          1HB       LEU  49   5.699   5.910 -14.283
  334    HG   LEU  49           HG       LEU  49   6.557   3.953 -12.132
  335   1HD1  LEU  49          1HD1      LEU  49   7.822   3.550 -14.203
  336   2HD1  LEU  49          2HD1      LEU  49   8.849   4.323 -12.996
  337   3HD1  LEU  49          3HD1      LEU  49   8.187   5.271 -14.326
  338   1HD2  LEU  49          1HD2      LEU  49   6.934   6.915 -12.609
  339   2HD2  LEU  49          2HD2      LEU  49   8.019   6.005 -11.559
  340   3HD2  LEU  49          3HD2      LEU  49   6.303   6.111 -11.172
  341    H    PHE  50           H        PHE  50   3.273   6.141 -10.757
  342    HA   PHE  50           HA       PHE  50   3.473   8.931 -11.814
  343   1HB   PHE  50          2HB       PHE  50   1.625   9.429 -10.142
  344   2HB   PHE  50          1HB       PHE  50   1.163   8.418 -11.502
  345    HD1  PHE  50           HD1      PHE  50   3.240   6.896  -8.863
  346    HD2  PHE  50           HD2      PHE  50  -0.781   7.619 -10.198
  347    HE1  PHE  50           HE1      PHE  50   2.408   5.178  -7.299
  348    HE2  PHE  50           HE2      PHE  50  -1.604   5.891  -8.625
  349    HZ   PHE  50           HZ       PHE  50  -0.005   4.669  -7.180
  350    H    TYR  51           H        TYR  51   2.627   9.312  -8.703
  351    HA   TYR  51           HA       TYR  51   5.465   9.620  -7.869
  352   1HB   TYR  51          2HB       TYR  51   3.080  11.202  -7.510
  353   2HB   TYR  51          1HB       TYR  51   3.740  10.760  -5.937
  354    HD1  TYR  51           HD1      TYR  51   6.295  11.044  -5.604
  355    HD2  TYR  51           HD2      TYR  51   4.064  12.953  -8.740
  356    HE1  TYR  51           HE1      TYR  51   8.113  12.703  -5.887
  357    HE2  TYR  51           HE2      TYR  51   5.883  14.616  -9.020
  358    HH   TYR  51           HH       TYR  51   7.809  15.540  -7.314
  359    H    GLU  52           H        GLU  52   5.171   7.106  -7.722
  360    HA   GLU  52           HA       GLU  52   3.728   6.065  -5.442
  361   1HB   GLU  52          2HB       GLU  52   4.061   4.332  -6.891
  362   2HB   GLU  52          1HB       GLU  52   5.503   5.064  -7.580
  363   1HG   GLU  52          2HG       GLU  52   6.269   3.113  -6.504
  364   2HG   GLU  52          1HG       GLU  52   6.684   4.409  -5.396
  365    H    PHE  53           H        PHE  53   4.815   5.086  -3.536
  366    HA   PHE  53           HA       PHE  53   7.532   6.127  -2.947
  367   1HB   PHE  53          2HB       PHE  53   5.065   7.196  -1.820
  368   2HB   PHE  53          1HB       PHE  53   6.120   6.557  -0.561
  369    HD1  PHE  53           HD1      PHE  53   8.304   7.530  -0.122
  370    HD2  PHE  53           HD2      PHE  53   5.822   9.032  -3.293
  371    HE1  PHE  53           HE1      PHE  53   9.757   9.530  -0.315
  372    HE2  PHE  53           HE2      PHE  53   7.277  11.030  -3.484
  373    HZ   PHE  53           HZ       PHE  53   9.243  11.279  -1.995
  374    H    GLU  54           H        GLU  54   8.653   4.832  -1.461
  375    HA   GLU  54           HA       GLU  54   7.906   2.104  -1.253
  376   1HB   GLU  54          2HB       GLU  54  10.226   3.176  -0.938
  377   2HB   GLU  54          1HB       GLU  54   9.723   3.495   0.722
  378   1HG   GLU  54          2HG       GLU  54   9.420   1.153   1.169
  379   2HG   GLU  54          1HG       GLU  54   9.601   0.743  -0.536
  380    H    GLY  55           H        GLY  55   6.042   1.500  -0.250
  381   1HA   GLY  55          2HA       GLY  55   4.956   0.878   1.830
  382   2HA   GLY  55          1HA       GLY  55   5.690   2.283   2.601
  383    H    ARG  56           H        ARG  56   4.824   3.695  -0.096
  384    HA   ARG  56           HA       ARG  56   1.917   3.964   0.500
  385   1HB   ARG  56          2HB       ARG  56   3.716   6.377   0.162
  386   2HB   ARG  56          1HB       ARG  56   2.028   6.352   0.671
  387   1HG   ARG  56          2HG       ARG  56   2.766   5.006   2.694
  388   2HG   ARG  56          1HG       ARG  56   4.430   5.346   2.220
  389   1HD   ARG  56          2HD       ARG  56   4.026   7.107   3.684
  390   2HD   ARG  56          1HD       ARG  56   3.575   7.846   2.148
  391    HE   ARG  56           HE       ARG  56   1.215   6.705   3.070
  392   1HH1  ARG  56          1HH2      ARG  56   3.586   8.897   4.295
  393   2HH1  ARG  56          2HH2      ARG  56   2.461   9.758   5.291
  394   1HH2  ARG  56          2HH1      ARG  56  -0.255   7.819   4.362
  395   2HH2  ARG  56          1HH1      ARG  56   0.290   9.148   5.328
  396    H    LYS  57           H        LYS  57   1.245   5.929  -1.259
  397    HA   LYS  57           HA       LYS  57   2.583   5.735  -3.811
  398   1HB   LYS  57          2HB       LYS  57   0.770   4.490  -5.001
  399   2HB   LYS  57          1HB       LYS  57   1.627   3.486  -3.835
  400   1HG   LYS  57          2HG       LYS  57  -0.260   4.309  -2.187
  401   2HG   LYS  57          1HG       LYS  57  -1.147   4.614  -3.678
  402   1HD   LYS  57          2HD       LYS  57   0.193   2.005  -3.653
  403   2HD   LYS  57          1HD       LYS  57  -1.003   2.178  -2.370
  404   1HE   LYS  57          2HE       LYS  57  -2.494   3.170  -4.317
  405   2HE   LYS  57          1HE       LYS  57  -1.379   2.262  -5.342
  406   1HZ   LYS  57          1HZ       LYS  57  -3.508   1.301  -3.751
  407   2HZ   LYS  57          2HZ       LYS  57  -2.050   0.590  -3.245
  408   3HZ   LYS  57          3HZ       LYS  57  -2.546   0.458  -4.866
  409    H    TYR  58           H        TYR  58   2.040   7.577  -4.895
  410    HA   TYR  58           HA       TYR  58  -0.681   8.716  -4.491
  411   1HB   TYR  58          2HB       TYR  58   1.907  10.268  -4.186
  412   2HB   TYR  58          1HB       TYR  58   0.291  10.972  -4.151
  413    HD1  TYR  58           HD1      TYR  58   2.885   9.455  -2.234
  414    HD2  TYR  58           HD2      TYR  58  -1.379   9.974  -2.398
  415    HE1  TYR  58           HE1      TYR  58   2.726   8.889   0.171
  416    HE2  TYR  58           HE2      TYR  58  -1.536   9.414   0.015
  417    HH   TYR  58           HH       TYR  58  -0.182   9.356   1.980
  418    H    CYS  59           H        CYS  59  -1.519   9.571  -6.318
  419    HA   CYS  59           HA       CYS  59   0.078   9.405  -8.783
  420   1HB   CYS  59          2HB       CYS  59  -2.147  10.206  -9.800
  421   2HB   CYS  59          1HB       CYS  59  -2.159   8.620  -9.026
  422    H    GLU  60           H        GLU  60  -0.605  11.507 -10.301
  423    HA   GLU  60           HA       GLU  60   0.837  13.691  -9.095
  424   1HB   GLU  60          2HB       GLU  60   0.655  13.169 -11.592
  425   2HB   GLU  60          1HB       GLU  60  -0.955  13.884 -11.530
  426   1HG   GLU  60          2HG       GLU  60   0.951  15.452 -12.219
  427   2HG   GLU  60          1HG       GLU  60  -0.093  16.024 -10.919
  428    H    HIS  61           H        HIS  61  -2.151  12.611  -8.349
  429    HA   HIS  61           HA       HIS  61  -3.555  15.185  -8.238
  430   1HB   HIS  61          2HB       HIS  61  -5.252  13.673  -8.361
  431   2HB   HIS  61          1HB       HIS  61  -4.216  12.354  -7.839
  432    HD2  HIS  61           HD2      HIS  61  -5.748  15.461  -5.843
  433    HE1  HIS  61           HE1      HIS  61  -6.214  11.962  -3.530
  434    HE2  HIS  61           HE2      HIS  61  -6.628  14.463  -3.600
  435    H    ASP  62           H        ASP  62  -2.474  12.848  -5.749
  436    HA   ASP  62           HA       ASP  62  -2.839  14.704  -3.577
  437   1HB   ASP  62          2HB       ASP  62  -0.837  12.462  -3.506
  438   2HB   ASP  62          1HB       ASP  62  -1.902  13.027  -2.223
  439    H    PHE  63           H        PHE  63  -0.096  13.772  -5.593
  440    HA   PHE  63           HA       PHE  63   1.824  15.329  -4.126
  441   1HB   PHE  63          2HB       PHE  63   1.903  13.441  -6.193
  442   2HB   PHE  63          1HB       PHE  63   2.566  14.913  -6.894
  443    HD1  PHE  63           HD1      PHE  63   4.556  16.001  -5.917
  444    HD2  PHE  63           HD2      PHE  63   2.989  12.331  -4.323
  445    HE1  PHE  63           HE1      PHE  63   6.645  15.668  -4.625
  446    HE2  PHE  63           HE2      PHE  63   5.080  11.995  -3.034
  447    HZ   PHE  63           HZ       PHE  63   6.910  13.666  -3.185
  448    H    GLN  64           H        GLN  64  -0.299  16.104  -6.912
  449    HA   GLN  64           HA       GLN  64   1.081  18.634  -7.373
  450   1HB   GLN  64          2HB       GLN  64  -0.681  19.189  -8.894
  451   2HB   GLN  64          1HB       GLN  64  -0.399  17.464  -9.094
  452   1HG   GLN  64          2HG       GLN  64  -2.309  16.953  -7.656
  453   2HG   GLN  64          1HG       GLN  64  -2.560  18.665  -7.335
  454   1HE2  GLN  64          1HE2      GLN  64  -2.992  20.041  -9.377
  455   2HE2  GLN  64          2HE2      GLN  64  -3.892  19.321 -10.623
  456    H    MET  65           H        MET  65  -1.289  17.457  -5.193
  457    HA   MET  65           HA       MET  65  -2.516  19.938  -4.419
  458   1HB   MET  65          2HB       MET  65  -3.108  17.425  -3.784
  459   2HB   MET  65          1HB       MET  65  -2.017  17.733  -2.433
  460   1HG   MET  65          2HG       MET  65  -3.395  19.881  -2.049
  461   2HG   MET  65          1HG       MET  65  -4.592  19.153  -3.120
  462   1HE   MET  65          1HE       MET  65  -5.100  20.061  -0.181
  463   2HE   MET  65          2HE       MET  65  -6.071  18.741   0.464
  464   3HE   MET  65          3HE       MET  65  -6.361  19.319  -1.175
  465    H    LEU  66           H        LEU  66   0.320  18.112  -3.346
  466    HA   LEU  66           HA       LEU  66   1.152  20.071  -1.358
  467   1HB   LEU  66          2HB       LEU  66   3.103  18.273  -2.788
  468   2HB   LEU  66          1HB       LEU  66   3.070  18.738  -1.090
  469    HG   LEU  66           HG       LEU  66   1.166  16.827  -2.467
  470   1HD1  LEU  66          1HD1      LEU  66   2.182  15.158  -0.969
  471   2HD1  LEU  66          2HD1      LEU  66   3.252  16.394  -0.307
  472   3HD1  LEU  66          3HD1      LEU  66   3.409  15.903  -1.994
  473   1HD2  LEU  66          1HD2      LEU  66  -0.133  17.935  -0.810
  474   2HD2  LEU  66          2HD2      LEU  66   1.220  18.009   0.317
  475   3HD2  LEU  66          3HD2      LEU  66   0.431  16.467  -0.011
  476    H    PHE  67           H        PHE  67   2.247  19.161  -4.607
  477    HA   PHE  67           HA       PHE  67   2.301  21.621  -5.820
  478   1HB   PHE  67          2HB       PHE  67   4.422  21.461  -3.838
  479   2HB   PHE  67          1HB       PHE  67   5.097  21.663  -5.449
  480    HD1  PHE  67           HD1      PHE  67   4.175  23.485  -2.708
  481    HD2  PHE  67           HD2      PHE  67   3.427  23.349  -6.938
  482    HE1  PHE  67           HE1      PHE  67   3.566  25.888  -2.680
  483    HE2  PHE  67           HE2      PHE  67   2.819  25.752  -6.907
  484    HZ   PHE  67           HZ       PHE  67   2.888  27.021  -4.778
  485    H    ALA  68           H        ALA  68   5.160  19.519  -5.523
  486    HA   ALA  68           HA       ALA  68   4.597  17.737  -7.602
  487   1HB   ALA  68          1HB       ALA  68   6.377  19.148  -9.181
  488   2HB   ALA  68          2HB       ALA  68   5.266  20.382  -8.580
  489   3HB   ALA  68          3HB       ALA  68   4.644  18.987  -9.462
  490    HA   PRO  69           HA       PRO  69   9.470  18.217  -7.244
  491   1HB   PRO  69          2HB       PRO  69   9.522  19.724  -4.715
  492   2HB   PRO  69          1HB       PRO  69  10.485  19.971  -6.180
  493   1HG   PRO  69          2HG       PRO  69   8.323  21.576  -5.348
  494   2HG   PRO  69          1HG       PRO  69   9.034  21.565  -6.969
  495   1HD   PRO  69          2HD       PRO  69   6.438  20.570  -6.146
  496   2HD   PRO  69          1HD       PRO  69   7.096  20.667  -7.784
  497    H    CYS  70           H        CYS  70   9.890  16.188  -6.552
  498    HA   CYS  70           HA       CYS  70   8.434  14.723  -4.693
  499   1HB   CYS  70          2HB       CYS  70  10.119  13.791  -6.301
  500   2HB   CYS  70          1HB       CYS  70  11.397  14.370  -5.232
  501    HG   CYS  70           HG       CYS  70   9.365  12.585  -3.797
  Start of MODEL   19
    1    H    MET   1           1H       MET   1  -2.342 -28.497 -10.055
    2    HA   MET   1           HA       MET   1  -1.707 -27.587 -12.413
    3   1HB   MET   1          2HB       MET   1  -4.066 -25.912 -11.502
    4   2HB   MET   1          1HB       MET   1  -2.899 -25.376 -12.710
    5   1HG   MET   1          2HG       MET   1  -4.501 -27.940 -12.930
    6   2HG   MET   1          1HG       MET   1  -4.961 -26.421 -13.698
    7   1HE   MET   1          1HE       MET   1  -5.047 -27.787 -15.930
    8   2HE   MET   1          2HE       MET   1  -4.462 -29.243 -15.129
    9   3HE   MET   1          3HE       MET   1  -3.687 -28.691 -16.612
   10    H    ALA   2           H        ALA   2  -2.883 -25.991  -9.427
   11    HA   ALA   2           HA       ALA   2  -0.628 -24.202  -9.244
   12   1HB   ALA   2          1HB       ALA   2  -1.431 -23.827  -6.915
   13   2HB   ALA   2          2HB       ALA   2  -2.567 -25.162  -7.115
   14   3HB   ALA   2          3HB       ALA   2  -2.735 -23.706  -8.097
   15    H    ASN   3           H        ASN   3   1.404 -25.031  -9.052
   16    HA   ASN   3           HA       ASN   3   2.056 -26.677  -6.717
   17   1HB   ASN   3          2HB       ASN   3   1.343 -28.374  -8.401
   18   2HB   ASN   3          1HB       ASN   3   2.577 -27.764  -9.504
   19   1HD2  ASN   3          1HD2      ASN   3   4.862 -28.093  -8.887
   20   2HD2  ASN   3          2HD2      ASN   3   5.283 -29.272  -7.742
   21    H    ALA   4           H        ALA   4   3.308 -25.593  -9.889
   22    HA   ALA   4           HA       ALA   4   5.625 -24.377  -8.451
   23   1HB   ALA   4          1HB       ALA   4   7.152 -25.189 -10.186
   24   2HB   ALA   4          2HB       ALA   4   5.813 -25.969 -11.029
   25   3HB   ALA   4          3HB       ALA   4   6.321 -26.557  -9.446
   26    H    LEU   5           H        LEU   5   3.109 -23.299  -9.615
   27    HA   LEU   5           HA       LEU   5   4.369 -21.229 -11.315
   28   1HB   LEU   5          2HB       LEU   5   2.276 -21.426 -12.852
   29   2HB   LEU   5          1HB       LEU   5   3.587 -22.582 -13.077
   30    HG   LEU   5           HG       LEU   5   1.612 -23.432 -11.064
   31   1HD1  LEU   5          1HD1      LEU   5  -0.107 -24.035 -12.752
   32   2HD1  LEU   5          2HD1      LEU   5   0.786 -23.121 -13.967
   33   3HD1  LEU   5          3HD1      LEU   5   0.070 -22.288 -12.588
   34   1HD2  LEU   5          1HD2      LEU   5   1.835 -25.545 -12.285
   35   2HD2  LEU   5          2HD2      LEU   5   3.432 -24.849 -12.019
   36   3HD2  LEU   5          3HD2      LEU   5   2.668 -24.723 -13.603
   37    H    ALA   6           H        ALA   6   3.835 -19.385 -10.269
   38    HA   ALA   6           HA       ALA   6   1.048 -18.720  -9.738
   39   1HB   ALA   6          1HB       ALA   6   1.415 -20.036  -7.738
   40   2HB   ALA   6          2HB       ALA   6   1.428 -18.336  -7.272
   41   3HB   ALA   6          3HB       ALA   6   2.947 -19.220  -7.426
   42    H    SER   7           H        SER   7   4.413 -17.907  -8.845
   43    HA   SER   7           HA       SER   7   5.576 -15.878  -8.968
   44   1HB   SER   7          2HB       SER   7   3.390 -14.796 -10.737
   45   2HB   SER   7          1HB       SER   7   5.116 -14.453 -10.781
   46    HG   SER   7           HG       SER   7   3.737 -16.792 -11.578
   47    H    ALA   8           H        ALA   8   4.999 -13.311  -8.795
   48    HA   ALA   8           HA       ALA   8   3.482 -13.097  -6.290
   49   1HB   ALA   8          1HB       ALA   8   5.523 -11.835  -6.399
   50   2HB   ALA   8          2HB       ALA   8   4.205 -10.665  -6.462
   51   3HB   ALA   8          3HB       ALA   8   5.062 -11.108  -7.938
   52    H    THR   9           H        THR   9   2.000 -11.033  -6.152
   53    HA   THR   9           HA       THR   9   0.293 -10.923  -8.610
   54    HB   THR   9           HB       THR   9  -1.680 -10.791  -7.145
   55    HG1  THR   9           HG1      THR   9   0.194 -11.184  -5.055
   56   1HG2  THR   9          1HG2      THR   9  -0.857 -13.021  -7.867
   57   2HG2  THR   9          2HG2      THR   9  -1.660 -13.084  -6.298
   58   3HG2  THR   9          3HG2      THR   9   0.100 -13.124  -6.390
   59    H    CYS  10           H        CYS  10  -0.950  -8.898  -8.808
   60    HA   CYS  10           HA       CYS  10   0.660  -6.580  -8.342
   61   1HB   CYS  10          2HB       CYS  10  -1.032  -6.830 -10.167
   62   2HB   CYS  10          1HB       CYS  10  -2.284  -6.637  -8.953
   63    H    GLU  11           H        GLU  11  -0.064  -4.634  -7.133
   64    HA   GLU  11           HA       GLU  11  -0.774  -5.394  -4.389
   65   1HB   GLU  11          2HB       GLU  11   1.003  -3.819  -4.598
   66   2HB   GLU  11          1HB       GLU  11   0.083  -2.818  -5.720
   67   1HG   GLU  11          2HG       GLU  11  -1.506  -2.240  -3.936
   68   2HG   GLU  11          1HG       GLU  11  -0.648  -3.291  -2.809
   69    H    ARG  12           H        ARG  12  -2.055  -3.047  -6.779
   70    HA   ARG  12           HA       ARG  12  -4.458  -2.634  -5.163
   71   1HB   ARG  12          2HB       ARG  12  -4.648  -0.735  -6.363
   72   2HB   ARG  12          1HB       ARG  12  -3.082  -1.138  -7.054
   73   1HG   ARG  12          2HG       ARG  12  -4.274  -0.925  -9.006
   74   2HG   ARG  12          1HG       ARG  12  -4.636  -2.616  -8.685
   75   1HD   ARG  12          2HD       ARG  12  -6.551  -1.301  -7.194
   76   2HD   ARG  12          1HD       ARG  12  -6.406  -0.262  -8.608
   77    HE   ARG  12           HE       ARG  12  -7.829  -2.689  -8.551
   78   1HH1  ARG  12          1HH2      ARG  12  -5.249  -1.300 -10.385
   79   2HH1  ARG  12          2HH2      ARG  12  -5.536  -2.294 -11.770
   80   1HH2  ARG  12          2HH1      ARG  12  -8.211  -3.970 -10.349
   81   2HH2  ARG  12          1HH1      ARG  12  -7.209  -3.798 -11.753
   82    H    CYS  13           H        CYS  13  -3.564  -4.699  -7.829
   83    HA   CYS  13           HA       CYS  13  -6.448  -5.441  -8.131
   84   1HB   CYS  13          2HB       CYS  13  -6.174  -5.590 -10.383
   85   2HB   CYS  13          1HB       CYS  13  -4.807  -4.520 -10.089
   86    H    LYS  14           H        LYS  14  -3.298  -6.617  -7.261
   87    HA   LYS  14           HA       LYS  14  -2.593  -8.753  -6.587
   88   1HB   LYS  14          2HB       LYS  14  -5.346  -8.464  -5.762
   89   2HB   LYS  14          1HB       LYS  14  -5.029 -10.138  -6.206
   90   1HG   LYS  14          2HG       LYS  14  -4.442 -10.015  -3.915
   91   2HG   LYS  14          1HG       LYS  14  -2.902  -9.939  -4.771
   92   1HD   LYS  14          2HD       LYS  14  -3.304  -7.341  -4.694
   93   2HD   LYS  14          1HD       LYS  14  -4.400  -7.739  -3.372
   94   1HE   LYS  14          2HE       LYS  14  -2.181  -7.262  -2.467
   95   2HE   LYS  14          1HE       LYS  14  -2.546  -8.974  -2.250
   96   1HZ   LYS  14          1HZ       LYS  14  -0.278  -8.415  -3.162
   97   2HZ   LYS  14          2HZ       LYS  14  -1.059  -7.954  -4.600
   98   3HZ   LYS  14          3HZ       LYS  14  -1.172  -9.556  -4.044
   99    H    GLY  15           H        GLY  15  -2.845  -8.292  -9.383
  100   1HA   GLY  15          2HA       GLY  15  -4.059 -10.750 -10.497
  101   2HA   GLY  15          1HA       GLY  15  -3.344  -9.435 -11.431
  102    H    GLY  16           H        GLY  16  -2.858 -12.576 -10.634
  103   1HA   GLY  16          2HA       GLY  16  -0.129 -12.754  -9.884
  104   2HA   GLY  16          1HA       GLY  16  -0.995 -13.995 -10.792
  105    H    PHE  17           H        PHE  17   1.279 -11.415 -10.984
  106    HA   PHE  17           HA       PHE  17   1.382 -11.703 -13.957
  107   1HB   PHE  17          2HB       PHE  17   2.801  -9.535 -13.747
  108   2HB   PHE  17          1HB       PHE  17   1.059  -9.418 -13.574
  109    HD1  PHE  17           HD1      PHE  17   1.301  -7.289 -12.334
  110    HD2  PHE  17           HD2      PHE  17   3.018 -10.941 -10.847
  111    HE1  PHE  17           HE1      PHE  17   1.618  -6.244 -10.118
  112    HE2  PHE  17           HE2      PHE  17   3.329  -9.886  -8.637
  113    HZ   PHE  17           HZ       PHE  17   2.630  -7.547  -8.273
  114    H    ALA  18           H        ALA  18   3.919 -10.894 -14.507
  115    HA   ALA  18           HA       ALA  18   5.958 -11.961 -12.814
  116   1HB   ALA  18          1HB       ALA  18   4.491 -13.915 -14.384
  117   2HB   ALA  18          2HB       ALA  18   5.736 -14.174 -13.161
  118   3HB   ALA  18          3HB       ALA  18   6.195 -13.892 -14.840
  119    HA   PRO  19           HA       PRO  19   7.695 -11.352 -17.336
  120   1HB   PRO  19          2HB       PRO  19   5.583 -10.032 -18.814
  121   2HB   PRO  19          1HB       PRO  19   6.419 -11.542 -19.201
  122   1HG   PRO  19          2HG       PRO  19   3.731 -11.244 -18.242
  123   2HG   PRO  19          1HG       PRO  19   4.601 -12.752 -18.554
  124   1HD   PRO  19          2HD       PRO  19   3.883 -11.620 -16.004
  125   2HD   PRO  19          1HD       PRO  19   4.741 -13.139 -16.318
  126    H    ALA  20           H        ALA  20   8.695  -9.363 -17.960
  127    HA   ALA  20           HA       ALA  20   8.496  -7.197 -16.117
  128   1HB   ALA  20          1HB       ALA  20   9.661  -7.229 -18.917
  129   2HB   ALA  20          2HB       ALA  20  10.526  -7.637 -17.435
  130   3HB   ALA  20          3HB       ALA  20   9.963  -5.987 -17.702
  131    H    GLU  21           H        GLU  21   6.545  -7.995 -18.809
  132    HA   GLU  21           HA       GLU  21   5.692  -5.245 -19.379
  133   1HB   GLU  21          2HB       GLU  21   4.327  -7.803 -20.252
  134   2HB   GLU  21          1HB       GLU  21   4.243  -6.216 -21.017
  135   1HG   GLU  21          2HG       GLU  21   5.829  -7.151 -22.390
  136   2HG   GLU  21          1HG       GLU  21   6.909  -6.585 -21.116
  137    H    LYS  22           H        LYS  22   4.388  -8.124 -17.750
  138    HA   LYS  22           HA       LYS  22   2.007  -6.614 -16.887
  139   1HB   LYS  22          2HB       LYS  22   2.912  -9.470 -16.427
  140   2HB   LYS  22          1HB       LYS  22   1.427  -8.798 -15.754
  141   1HG   LYS  22          2HG       LYS  22   0.893  -8.103 -18.203
  142   2HG   LYS  22          1HG       LYS  22   2.130  -9.280 -18.645
  143   1HD   LYS  22          2HD       LYS  22   0.920 -11.082 -17.705
  144   2HD   LYS  22          1HD       LYS  22  -0.115 -10.009 -16.764
  145   1HE   LYS  22          2HE       LYS  22  -1.007  -9.109 -18.962
  146   2HE   LYS  22          1HE       LYS  22  -0.138 -10.418 -19.764
  147   1HZ   LYS  22          1HZ       LYS  22  -2.185 -10.760 -17.639
  148   2HZ   LYS  22          2HZ       LYS  22  -1.366 -12.012 -18.444
  149   3HZ   LYS  22          3HZ       LYS  22  -2.441 -11.010 -19.297
  150    H    ILE  23           H        ILE  23   4.989  -7.948 -15.528
  151    HA   ILE  23           HA       ILE  23   4.245  -7.069 -12.823
  152    HB   ILE  23           HB       ILE  23   5.949  -9.045 -13.843
  153   1HG1  ILE  23          2HG1      ILE  23   4.720  -9.200 -11.753
  154   2HG1  ILE  23          1HG1      ILE  23   6.429  -9.468 -11.430
  155   1HG2  ILE  23          1HG2      ILE  23   8.142  -8.502 -12.808
  156   2HG2  ILE  23          2HG2      ILE  23   7.571  -6.864 -12.493
  157   3HG2  ILE  23          3HG2      ILE  23   7.758  -7.430 -14.154
  158   1HD1  ILE  23          1HD1      ILE  23   5.830  -7.960  -9.737
  159   2HD1  ILE  23          2HD1      ILE  23   4.743  -7.057 -10.791
  160   3HD1  ILE  23          3HD1      ILE  23   6.489  -6.890 -10.974
  161    H    VAL  24           H        VAL  24   4.722  -5.101 -12.028
  162    HA   VAL  24           HA       VAL  24   7.001  -3.564 -13.160
  163    HB   VAL  24           HB       VAL  24   4.382  -2.167 -12.637
  164   1HG1  VAL  24          1HG1      VAL  24   6.733  -1.583 -14.464
  165   2HG1  VAL  24          2HG1      VAL  24   6.463  -0.854 -12.881
  166   3HG1  VAL  24          3HG1      VAL  24   5.341  -0.530 -14.202
  167   1HG2  VAL  24          1HG2      VAL  24   5.241  -3.496 -15.233
  168   2HG2  VAL  24          2HG2      VAL  24   3.924  -2.331 -15.101
  169   3HG2  VAL  24          3HG2      VAL  24   3.810  -3.886 -14.279
  170    H    ASN  25           H        ASN  25   8.220  -3.332 -11.326
  171    HA   ASN  25           HA       ASN  25   6.811  -2.913  -8.746
  172   1HB   ASN  25          2HB       ASN  25   8.435  -4.591  -8.517
  173   2HB   ASN  25          1HB       ASN  25   9.622  -3.715  -9.479
  174   1HD2  ASN  25          1HD2      ASN  25   7.700  -3.187  -6.457
  175   2HD2  ASN  25          2HD2      ASN  25   8.976  -2.464  -5.602
  176    H    SER  26           H        SER  26   7.327  -1.155  -7.403
  177    HA   SER  26           HA       SER  26   9.114   0.959  -8.307
  178   1HB   SER  26          2HB       SER  26   7.613   2.445  -9.163
  179   2HB   SER  26          1HB       SER  26   6.579   1.037  -9.390
  180    HG   SER  26           HG       SER  26   5.292   2.052  -8.072
  181    H    ASN  27           H        ASN  27   9.247   2.677  -6.682
  182    HA   ASN  27           HA       ASN  27   9.601   1.945  -4.091
  183   1HB   ASN  27          2HB       ASN  27   8.362   4.561  -4.997
  184   2HB   ASN  27          1HB       ASN  27   9.092   4.287  -3.414
  185   1HD2  ASN  27          1HD2      ASN  27  11.328   4.619  -3.265
  186   2HD2  ASN  27          2HD2      ASN  27  12.367   4.789  -4.597
  187    H    GLY  28           H        GLY  28   8.151   0.451  -3.225
  188   1HA   GLY  28          2HA       GLY  28   6.173   0.945  -1.539
  189   2HA   GLY  28          1HA       GLY  28   5.293   1.243  -3.030
  190    H    GLU  29           H        GLU  29   5.404  -0.626  -4.646
  191    HA   GLU  29           HA       GLU  29   5.878  -3.299  -3.575
  192   1HB   GLU  29          2HB       GLU  29   3.388  -2.050  -3.061
  193   2HB   GLU  29          1HB       GLU  29   3.087  -3.247  -4.317
  194   1HG   GLU  29          2HG       GLU  29   3.910  -5.020  -2.984
  195   2HG   GLU  29          1HG       GLU  29   4.716  -3.908  -1.876
  196    H    LEU  30           H        LEU  30   3.811  -4.437  -5.327
  197    HA   LEU  30           HA       LEU  30   5.202  -4.052  -7.943
  198   1HB   LEU  30          2HB       LEU  30   3.343  -6.267  -7.011
  199   2HB   LEU  30          1HB       LEU  30   4.203  -6.221  -8.547
  200    HG   LEU  30           HG       LEU  30   5.481  -7.638  -7.120
  201   1HD1  LEU  30          1HD1      LEU  30   7.588  -6.567  -7.119
  202   2HD1  LEU  30          2HD1      LEU  30   6.879  -4.982  -6.809
  203   3HD1  LEU  30          3HD1      LEU  30   6.685  -5.741  -8.389
  204   1HD2  LEU  30          1HD2      LEU  30   5.772  -7.357  -4.862
  205   2HD2  LEU  30          2HD2      LEU  30   4.316  -6.378  -5.035
  206   3HD2  LEU  30          3HD2      LEU  30   5.900  -5.603  -4.987
  207    H    TYR  31           H        TYR  31   4.003  -3.431  -9.756
  208    HA   TYR  31           HA       TYR  31   1.061  -3.081  -9.433
  209   1HB   TYR  31          2HB       TYR  31   2.667  -0.909 -10.760
  210   2HB   TYR  31          1HB       TYR  31   1.066  -0.803 -10.035
  211    HD1  TYR  31           HD1      TYR  31   4.693  -1.209  -9.246
  212    HD2  TYR  31           HD2      TYR  31   0.801  -0.160  -7.754
  213    HE1  TYR  31           HE1      TYR  31   5.716  -0.385  -7.154
  214    HE2  TYR  31           HE2      TYR  31   1.839   0.672  -5.655
  215    HH   TYR  31           HH       TYR  31   3.831   1.319  -4.733
  216    H    HIS  32           H        HIS  32  -0.004  -2.765 -11.527
  217    HA   HIS  32           HA       HIS  32   1.342  -4.274 -13.704
  218   1HB   HIS  32          2HB       HIS  32  -1.487  -3.623 -12.972
  219   2HB   HIS  32          1HB       HIS  32  -1.119  -3.831 -14.680
  220    HD2  HIS  32           HD2      HIS  32   0.279  -6.481 -15.134
  221    HE1  HIS  32           HE1      HIS  32  -1.815  -8.197 -11.897
  222    HE2  HIS  32           HE2      HIS  32  -0.437  -8.706 -13.968
  223    H    GLU  33           H        GLU  33   0.505  -3.317 -15.967
  224    HA   GLU  33           HA       GLU  33   1.561  -0.599 -16.092
  225   1HB   GLU  33          2HB       GLU  33   0.123  -1.751 -18.441
  226   2HB   GLU  33          1HB       GLU  33   1.679  -0.925 -18.378
  227   1HG   GLU  33          2HG       GLU  33   2.498  -3.036 -18.713
  228   2HG   GLU  33          1HG       GLU  33   2.283  -3.156 -16.966
  229    H    GLN  34           H        GLN  34  -1.251  -1.814 -15.066
  230    HA   GLN  34           HA       GLN  34  -2.695   0.703 -15.548
  231   1HB   GLN  34          2HB       GLN  34  -4.753  -0.488 -16.286
  232   2HB   GLN  34          1HB       GLN  34  -3.433  -0.653 -17.440
  233   1HG   GLN  34          2HG       GLN  34  -3.319  -2.758 -15.446
  234   2HG   GLN  34          1HG       GLN  34  -4.889  -2.735 -16.245
  235   1HE2  GLN  34          1HE2      GLN  34  -1.373  -2.671 -17.030
  236   2HE2  GLN  34          2HE2      GLN  34  -1.536  -3.501 -18.501
  237    H    CYS  35           H        CYS  35  -1.614   0.016 -13.188
  238    HA   CYS  35           HA       CYS  35  -4.019  -0.504 -11.535
  239   1HB   CYS  35          2HB       CYS  35  -1.442  -2.061 -11.387
  240   2HB   CYS  35          1HB       CYS  35  -2.559  -1.983 -10.032
  241    H    PHE  36           H        PHE  36  -1.241   1.282 -12.192
  242    HA   PHE  36           HA       PHE  36  -0.263   2.036  -9.631
  243   1HB   PHE  36          2HB       PHE  36  -0.477   3.475 -12.273
  244   2HB   PHE  36          1HB       PHE  36   0.142   4.299 -10.852
  245    HD1  PHE  36           HD1      PHE  36   0.573   0.975 -12.568
  246    HD2  PHE  36           HD2      PHE  36   2.430   4.281 -10.563
  247    HE1  PHE  36           HE1      PHE  36   2.800  -0.056 -12.928
  248    HE2  PHE  36           HE2      PHE  36   4.658   3.251 -10.916
  249    HZ   PHE  36           HZ       PHE  36   4.841   1.081 -12.102
  250    H    VAL  37           H        VAL  37  -1.913   2.357  -8.083
  251    HA   VAL  37           HA       VAL  37  -3.936   4.458  -8.721
  252    HB   VAL  37           HB       VAL  37  -4.913   3.410  -6.451
  253   1HG1  VAL  37          1HG1      VAL  37  -5.257   2.083  -9.157
  254   2HG1  VAL  37          2HG1      VAL  37  -5.999   3.620  -8.715
  255   3HG1  VAL  37          3HG1      VAL  37  -6.436   2.149  -7.848
  256   1HG2  VAL  37          1HG2      VAL  37  -4.252   1.285  -5.985
  257   2HG2  VAL  37          2HG2      VAL  37  -2.803   1.703  -6.891
  258   3HG2  VAL  37          3HG2      VAL  37  -4.120   0.855  -7.687
  259    H    CYS  38           H        CYS  38  -4.659   5.727  -6.802
  260    HA   CYS  38           HA       CYS  38  -2.286   6.749  -5.332
  261   1HB   CYS  38          2HB       CYS  38  -3.616   8.344  -6.659
  262   2HB   CYS  38          1HB       CYS  38  -5.058   7.908  -5.754
  263    H    ALA  39           H        ALA  39  -2.082   6.226  -3.203
  264    HA   ALA  39           HA       ALA  39  -3.893   4.550  -1.801
  265   1HB   ALA  39          1HB       ALA  39  -2.597   5.666   0.255
  266   2HB   ALA  39          2HB       ALA  39  -1.552   6.241  -1.042
  267   3HB   ALA  39          3HB       ALA  39  -1.808   4.511  -0.818
  268    H    GLN  40           H        GLN  40  -4.322   7.785  -2.614
  269    HA   GLN  40           HA       GLN  40  -6.102   8.257  -0.259
  270   1HB   GLN  40          2HB       GLN  40  -4.984  10.291  -2.211
  271   2HB   GLN  40          1HB       GLN  40  -5.887  10.635  -0.734
  272   1HG   GLN  40          2HG       GLN  40  -4.014   9.220   0.433
  273   2HG   GLN  40          1HG       GLN  40  -3.091   9.561  -1.030
  274   1HE2  GLN  40          1HE2      GLN  40  -1.716  11.288  -0.600
  275   2HE2  GLN  40          2HE2      GLN  40  -2.151  12.693   0.248
  276    H    CYS  41           H        CYS  41  -6.031   9.240  -3.726
  277    HA   CYS  41           HA       CYS  41  -8.979   9.217  -3.756
  278   1HB   CYS  41          2HB       CYS  41  -8.803  10.152  -5.964
  279   2HB   CYS  41          1HB       CYS  41  -7.582  10.948  -4.974
  280    H    PHE  42           H        PHE  42  -6.464   7.016  -4.361
  281    HA   PHE  42           HA       PHE  42  -6.435   4.843  -5.218
  282   1HB   PHE  42          2HB       PHE  42  -9.456   5.002  -5.137
  283   2HB   PHE  42          1HB       PHE  42  -8.446   3.557  -5.072
  284    HD1  PHE  42           HD1      PHE  42 -10.283   5.817  -3.112
  285    HD2  PHE  42           HD2      PHE  42  -6.579   3.638  -3.132
  286    HE1  PHE  42           HE1      PHE  42 -10.151   6.014  -0.644
  287    HE2  PHE  42           HE2      PHE  42  -6.450   3.835  -0.665
  288    HZ   PHE  42           HZ       PHE  42  -8.235   5.024   0.580
  289    H    GLN  43           H        GLN  43  -7.085   7.372  -7.002
  290    HA   GLN  43           HA       GLN  43  -8.448   6.247  -9.300
  291   1HB   GLN  43          2HB       GLN  43  -8.295   8.695  -8.950
  292   2HB   GLN  43          1HB       GLN  43  -6.542   8.610  -9.125
  293   1HG   GLN  43          2HG       GLN  43  -7.656   9.317 -11.235
  294   2HG   GLN  43          1HG       GLN  43  -6.782   7.799 -11.427
  295   1HE2  GLN  43          1HE2      GLN  43 -10.071   9.137 -10.943
  296   2HE2  GLN  43          2HE2      GLN  43 -10.882   7.792 -11.584
  297    H    GLN  44           H        GLN  44  -7.563   4.999 -10.918
  298    HA   GLN  44           HA       GLN  44  -4.763   4.146 -10.561
  299   1HB   GLN  44          2HB       GLN  44  -6.029   2.933 -12.853
  300   2HB   GLN  44          1HB       GLN  44  -5.488   2.175 -11.355
  301   1HG   GLN  44          2HG       GLN  44  -7.636   2.997 -10.282
  302   2HG   GLN  44          1HG       GLN  44  -8.178   3.463 -11.895
  303   1HE2  GLN  44          1HE2      GLN  44  -9.424   1.868 -12.870
  304   2HE2  GLN  44          2HE2      GLN  44  -9.255   0.199 -12.612
  305    H    PHE  45           H        PHE  45  -3.153   4.380 -12.109
  306    HA   PHE  45           HA       PHE  45  -3.758   6.074 -14.490
  307   1HB   PHE  45          2HB       PHE  45  -1.487   6.450 -12.508
  308   2HB   PHE  45          1HB       PHE  45  -1.636   7.319 -14.034
  309    HD1  PHE  45           HD1      PHE  45  -2.940   6.949 -10.626
  310    HD2  PHE  45           HD2      PHE  45  -3.460   8.932 -14.397
  311    HE1  PHE  45           HE1      PHE  45  -4.449   8.595  -9.550
  312    HE2  PHE  45           HE2      PHE  45  -4.969  10.582 -13.322
  313    HZ   PHE  45           HZ       PHE  45  -5.464  10.412 -10.899
  314    HA   PRO  46           HA       PRO  46  -1.642   2.168 -15.674
  315   1HB   PRO  46          2HB       PRO  46  -2.596   2.787 -18.336
  316   2HB   PRO  46          1HB       PRO  46  -3.040   1.430 -17.298
  317   1HG   PRO  46          2HG       PRO  46  -4.647   3.710 -17.918
  318   2HG   PRO  46          1HG       PRO  46  -5.022   2.419 -16.767
  319   1HD   PRO  46          2HD       PRO  46  -4.293   5.160 -16.193
  320   2HD   PRO  46          1HD       PRO  46  -4.721   3.877 -15.044
  321    H    GLU  47           H        GLU  47   0.437   2.074 -16.369
  322    HA   GLU  47           HA       GLU  47   2.530   2.885 -17.076
  323   1HB   GLU  47          2HB       GLU  47   0.808   3.841 -19.389
  324   2HB   GLU  47          1HB       GLU  47   2.555   3.603 -19.429
  325   1HG   GLU  47          2HG       GLU  47   2.130   1.184 -18.770
  326   2HG   GLU  47          1HG       GLU  47   0.418   1.489 -19.066
  327    H    GLY  48           H        GLY  48   0.971   4.655 -15.358
  328   1HA   GLY  48          2HA       GLY  48   1.449   7.360 -16.438
  329   2HA   GLY  48          1HA       GLY  48   0.670   6.979 -14.905
  330    H    LEU  49           H        LEU  49   2.792   5.199 -13.944
  331    HA   LEU  49           HA       LEU  49   4.665   5.496 -12.533
  332   1HB   LEU  49          2HB       LEU  49   5.495   5.643 -15.111
  333   2HB   LEU  49          1HB       LEU  49   5.976   7.249 -14.564
  334    HG   LEU  49           HG       LEU  49   6.676   4.725 -13.042
  335   1HD1  LEU  49          1HD1      LEU  49   8.329   6.230 -15.095
  336   2HD1  LEU  49          2HD1      LEU  49   7.667   4.607 -15.293
  337   3HD1  LEU  49          3HD1      LEU  49   8.913   4.908 -14.082
  338   1HD2  LEU  49          1HD2      LEU  49   6.821   6.732 -11.700
  339   2HD2  LEU  49          2HD2      LEU  49   7.660   7.596 -12.989
  340   3HD2  LEU  49          3HD2      LEU  49   8.465   6.275 -12.143
  341    H    PHE  50           H        PHE  50   2.879   7.017 -11.554
  342    HA   PHE  50           HA       PHE  50   3.446   9.870 -11.737
  343   1HB   PHE  50          2HB       PHE  50   1.649   9.959  -9.931
  344   2HB   PHE  50          1HB       PHE  50   1.161   9.301 -11.487
  345    HD1  PHE  50           HD1      PHE  50   3.318   7.218  -9.337
  346    HD2  PHE  50           HD2      PHE  50  -0.743   8.164 -10.376
  347    HE1  PHE  50           HE1      PHE  50   2.548   5.168  -8.204
  348    HE2  PHE  50           HE2      PHE  50  -1.506   6.105  -9.227
  349    HZ   PHE  50           HZ       PHE  50   0.138   4.605  -8.148
  350    H    TYR  51           H        TYR  51   2.627   9.299  -8.573
  351    HA   TYR  51           HA       TYR  51   5.480   9.487  -7.722
  352   1HB   TYR  51          2HB       TYR  51   3.201  11.221  -7.214
  353   2HB   TYR  51          1HB       TYR  51   3.917  10.650  -5.709
  354    HD1  TYR  51           HD1      TYR  51   6.445  10.865  -5.403
  355    HD2  TYR  51           HD2      TYR  51   4.266  12.903  -8.494
  356    HE1  TYR  51           HE1      TYR  51   8.323  12.458  -5.674
  357    HE2  TYR  51           HE2      TYR  51   6.146  14.498  -8.768
  358    HH   TYR  51           HH       TYR  51   8.040  15.358  -7.384
  359    H    GLU  52           H        GLU  52   4.927   6.968  -7.723
  360    HA   GLU  52           HA       GLU  52   3.322   5.907  -5.619
  361   1HB   GLU  52          2HB       GLU  52   4.541   4.824  -7.735
  362   2HB   GLU  52          1HB       GLU  52   5.802   4.508  -6.541
  363   1HG   GLU  52          2HG       GLU  52   4.627   2.753  -5.847
  364   2HG   GLU  52          1HG       GLU  52   3.370   3.847  -5.293
  365    H    PHE  53           H        PHE  53   4.383   4.717  -3.652
  366    HA   PHE  53           HA       PHE  53   6.919   5.984  -2.776
  367   1HB   PHE  53          2HB       PHE  53   4.470   7.115  -2.045
  368   2HB   PHE  53          1HB       PHE  53   4.943   6.163  -0.639
  369    HD1  PHE  53           HD1      PHE  53   6.868   6.746   0.689
  370    HD2  PHE  53           HD2      PHE  53   5.976   8.900  -2.923
  371    HE1  PHE  53           HE1      PHE  53   8.530   8.479   1.309
  372    HE2  PHE  53           HE2      PHE  53   7.637  10.631  -2.299
  373    HZ   PHE  53           HZ       PHE  53   8.914  10.421  -0.184
  374    H    GLU  54           H        GLU  54   7.891   4.911  -0.955
  375    HA   GLU  54           HA       GLU  54   7.528   2.091  -0.900
  376   1HB   GLU  54          2HB       GLU  54   9.460   3.780   0.015
  377   2HB   GLU  54          1HB       GLU  54   8.682   3.333   1.532
  378   1HG   GLU  54          2HG       GLU  54   9.830   1.441  -0.542
  379   2HG   GLU  54          1HG       GLU  54  10.457   1.735   1.080
  380    H    GLY  55           H        GLY  55   5.980   0.903   0.108
  381   1HA   GLY  55          2HA       GLY  55   4.345   0.273   1.670
  382   2HA   GLY  55          1HA       GLY  55   4.972   1.532   2.734
  383    H    ARG  56           H        ARG  56   4.339   3.016  -0.159
  384    HA   ARG  56           HA       ARG  56   1.452   3.451   0.352
  385   1HB   ARG  56          2HB       ARG  56   3.625   5.465   0.772
  386   2HB   ARG  56          1HB       ARG  56   2.106   6.024   0.077
  387   1HG   ARG  56          2HG       ARG  56   2.303   4.412   2.637
  388   2HG   ARG  56          1HG       ARG  56   2.183   6.169   2.587
  389   1HD   ARG  56          2HD       ARG  56  -0.060   5.788   2.680
  390   2HD   ARG  56          1HD       ARG  56   0.104   5.461   0.955
  391    HE   ARG  56           HE       ARG  56   0.654   3.020   2.162
  392   1HH1  ARG  56          1HH2      ARG  56  -1.900   5.342   2.257
  393   2HH1  ARG  56          2HH2      ARG  56  -3.128   4.167   2.584
  394   1HH2  ARG  56          2HH1      ARG  56  -0.939   1.484   2.587
  395   2HH2  ARG  56          1HH1      ARG  56  -2.585   1.988   2.770
  396    H    LYS  57           H        LYS  57   1.008   5.552  -1.357
  397    HA   LYS  57           HA       LYS  57   2.391   5.360  -3.876
  398   1HB   LYS  57          2HB       LYS  57   0.536   4.225  -5.136
  399   2HB   LYS  57          1HB       LYS  57   1.376   3.151  -4.016
  400   1HG   LYS  57          2HG       LYS  57  -0.485   3.948  -2.322
  401   2HG   LYS  57          1HG       LYS  57  -1.370   4.348  -3.793
  402   1HD   LYS  57          2HD       LYS  57  -0.112   1.639  -3.320
  403   2HD   LYS  57          1HD       LYS  57  -1.780   2.012  -2.883
  404   1HE   LYS  57          2HE       LYS  57  -2.257   2.646  -5.221
  405   2HE   LYS  57          1HE       LYS  57  -0.590   2.260  -5.660
  406   1HZ   LYS  57          1HZ       LYS  57  -1.073  -0.015  -4.674
  407   2HZ   LYS  57          2HZ       LYS  57  -1.790   0.345  -6.172
  408   3HZ   LYS  57          3HZ       LYS  57  -2.712   0.415  -4.747
  409    H    TYR  58           H        TYR  58   1.847   7.196  -5.026
  410    HA   TYR  58           HA       TYR  58  -0.847   8.381  -4.632
  411   1HB   TYR  58          2HB       TYR  58   1.644  10.073  -4.364
  412   2HB   TYR  58          1HB       TYR  58  -0.018  10.553  -4.039
  413    HD1  TYR  58           HD1      TYR  58   2.997   9.223  -2.664
  414    HD2  TYR  58           HD2      TYR  58  -1.269   9.273  -2.159
  415    HE1  TYR  58           HE1      TYR  58   3.278   8.530  -0.307
  416    HE2  TYR  58           HE2      TYR  58  -0.993   8.570   0.209
  417    HH   TYR  58           HH       TYR  58   1.853   8.776   1.862
  418    H    CYS  59           H        CYS  59  -1.468   9.767  -6.314
  419    HA   CYS  59           HA       CYS  59   0.192   9.506  -8.759
  420   1HB   CYS  59          2HB       CYS  59  -1.929  10.333  -9.897
  421   2HB   CYS  59          1HB       CYS  59  -2.065   8.752  -9.118
  422    H    GLU  60           H        GLU  60  -0.266  11.643 -10.213
  423    HA   GLU  60           HA       GLU  60   1.057  13.769  -8.788
  424   1HB   GLU  60          2HB       GLU  60   0.877  13.180 -11.395
  425   2HB   GLU  60          1HB       GLU  60  -0.443  14.345 -11.311
  426   1HG   GLU  60          2HG       GLU  60   1.686  15.460 -11.867
  427   2HG   GLU  60          1HG       GLU  60   1.077  16.008 -10.309
  428    H    HIS  61           H        HIS  61  -1.937  12.734  -8.238
  429    HA   HIS  61           HA       HIS  61  -3.367  15.292  -8.365
  430   1HB   HIS  61          2HB       HIS  61  -5.078  13.816  -8.499
  431   2HB   HIS  61          1HB       HIS  61  -4.058  12.495  -7.954
  432    HD2  HIS  61           HD2      HIS  61  -5.757  15.553  -6.018
  433    HE1  HIS  61           HE1      HIS  61  -6.161  12.047  -3.706
  434    HE2  HIS  61           HE2      HIS  61  -6.676  14.528  -3.802
  435    H    ASP  62           H        ASP  62  -2.929  13.130  -5.528
  436    HA   ASP  62           HA       ASP  62  -3.213  15.289  -3.663
  437   1HB   ASP  62          2HB       ASP  62  -2.780  12.453  -3.544
  438   2HB   ASP  62          1HB       ASP  62  -1.596  13.245  -2.509
  439    H    PHE  63           H        PHE  63  -0.481  13.918  -5.348
  440    HA   PHE  63           HA       PHE  63   1.513  15.260  -3.742
  441   1HB   PHE  63          2HB       PHE  63   1.447  13.451  -6.051
  442   2HB   PHE  63          1HB       PHE  63   2.817  14.552  -6.002
  443    HD1  PHE  63           HD1      PHE  63   0.769  12.804  -3.398
  444    HD2  PHE  63           HD2      PHE  63   4.666  13.565  -4.995
  445    HE1  PHE  63           HE1      PHE  63   1.771  11.484  -1.560
  446    HE2  PHE  63           HE2      PHE  63   5.673  12.218  -3.171
  447    HZ   PHE  63           HZ       PHE  63   4.229  11.186  -1.448
  448    H    GLN  64           H        GLN  64  -0.124  16.087  -6.844
  449    HA   GLN  64           HA       GLN  64   1.676  18.328  -7.303
  450   1HB   GLN  64          2HB       GLN  64   0.161  19.074  -8.994
  451   2HB   GLN  64          1HB       GLN  64   0.133  17.318  -9.074
  452   1HG   GLN  64          2HG       GLN  64  -1.942  17.262  -7.777
  453   2HG   GLN  64          1HG       GLN  64  -1.890  19.009  -7.572
  454   1HE2  GLN  64          1HE2      GLN  64  -3.321  20.015  -8.979
  455   2HE2  GLN  64          2HE2      GLN  64  -3.657  19.505 -10.562
  456    H    MET  65           H        MET  65  -1.100  17.746  -5.329
  457    HA   MET  65           HA       MET  65  -1.852  20.467  -4.788
  458   1HB   MET  65          2HB       MET  65  -2.371  17.802  -3.610
  459   2HB   MET  65          1HB       MET  65  -2.410  19.127  -2.447
  460   1HG   MET  65          2HG       MET  65  -4.643  18.753  -3.425
  461   2HG   MET  65          1HG       MET  65  -4.018  20.338  -3.879
  462   1HE   MET  65          1HE       MET  65  -6.019  19.316  -7.019
  463   2HE   MET  65          2HE       MET  65  -5.729  20.540  -5.787
  464   3HE   MET  65          3HE       MET  65  -6.403  18.980  -5.325
  465    H    LEU  66           H        LEU  66   0.452  18.198  -3.319
  466    HA   LEU  66           HA       LEU  66   1.379  20.028  -1.267
  467   1HB   LEU  66          2HB       LEU  66   3.169  17.934  -2.487
  468   2HB   LEU  66          1HB       LEU  66   3.033  18.427  -0.800
  469    HG   LEU  66           HG       LEU  66   1.019  16.808  -2.379
  470   1HD1  LEU  66          1HD1      LEU  66   2.674  16.096   0.059
  471   2HD1  LEU  66          2HD1      LEU  66   3.061  15.606  -1.590
  472   3HD1  LEU  66          3HD1      LEU  66   1.586  15.023  -0.821
  473   1HD2  LEU  66          1HD2      LEU  66  -0.294  18.132  -0.912
  474   2HD2  LEU  66          2HD2      LEU  66   0.918  18.064   0.368
  475   3HD2  LEU  66          3HD2      LEU  66  -0.040  16.634  -0.016
  476    H    PHE  67           H        PHE  67   1.882  19.621  -4.639
  477    HA   PHE  67           HA       PHE  67   3.027  20.902  -6.205
  478   1HB   PHE  67          2HB       PHE  67   2.362  22.731  -4.345
  479   2HB   PHE  67          1HB       PHE  67   4.115  22.785  -4.160
  480    HD1  PHE  67           HD1      PHE  67   5.472  23.904  -5.749
  481    HD2  PHE  67           HD2      PHE  67   1.375  23.013  -6.688
  482    HE1  PHE  67           HE1      PHE  67   5.645  25.276  -7.808
  483    HE2  PHE  67           HE2      PHE  67   1.549  24.385  -8.746
  484    HZ   PHE  67           HZ       PHE  67   3.683  25.517  -9.306
  485    H    ALA  68           H        ALA  68   4.297  18.838  -4.290
  486    HA   ALA  68           HA       ALA  68   6.419  17.914  -3.914
  487   1HB   ALA  68          1HB       ALA  68   7.124  19.483  -6.414
  488   2HB   ALA  68          2HB       ALA  68   6.319  17.914  -6.418
  489   3HB   ALA  68          3HB       ALA  68   7.961  18.061  -5.791
  490    HA   PRO  69           HA       PRO  69   7.791  21.913  -1.972
  491   1HB   PRO  69          2HB       PRO  69   8.105  20.438   0.474
  492   2HB   PRO  69          1HB       PRO  69   6.908  21.689   0.107
  493   1HG   PRO  69          2HG       PRO  69   6.465  18.849   0.369
  494   2HG   PRO  69          1HG       PRO  69   5.272  20.105   0.015
  495   1HD   PRO  69          2HD       PRO  69   6.349  18.128  -1.791
  496   2HD   PRO  69          1HD       PRO  69   5.144  19.384  -2.139
  497    H    CYS  70           H        CYS  70   9.012  18.767  -2.482
  498    HA   CYS  70           HA       CYS  70  11.193  17.935  -2.673
  499   1HB   CYS  70          2HB       CYS  70  11.362  20.368  -3.737
  500   2HB   CYS  70          1HB       CYS  70  12.348  20.675  -2.309
  501    HG   CYS  70           HG       CYS  70  13.749  18.458  -3.117
  Start of MODEL   20
    1    H    MET   1           1H       MET   1  12.424 -25.330 -13.504
    2    HA   MET   1           HA       MET   1  13.808 -25.093 -11.711
    3   1HB   MET   1          2HB       MET   1  14.500 -22.881 -13.669
    4   2HB   MET   1          1HB       MET   1  15.591 -23.444 -12.402
    5   1HG   MET   1          2HG       MET   1  15.514 -25.725 -13.342
    6   2HG   MET   1          1HG       MET   1  14.422 -25.167 -14.610
    7   1HE   MET   1          1HE       MET   1  16.912 -26.704 -15.325
    8   2HE   MET   1          2HE       MET   1  17.638 -25.754 -16.619
    9   3HE   MET   1          3HE       MET   1  15.889 -25.954 -16.558
   10    H    ALA   2           H        ALA   2  12.927 -21.726 -12.590
   11    HA   ALA   2           HA       ALA   2  13.366 -20.761  -9.895
   12   1HB   ALA   2          1HB       ALA   2  12.313 -18.673 -10.740
   13   2HB   ALA   2          2HB       ALA   2  11.870 -19.514 -12.224
   14   3HB   ALA   2          3HB       ALA   2  13.570 -19.260 -11.828
   15    H    ASN   3           H        ASN   3  12.026 -21.212  -8.224
   16    HA   ASN   3           HA       ASN   3   9.323 -22.210  -8.655
   17   1HB   ASN   3          2HB       ASN   3  10.854 -21.453  -6.149
   18   2HB   ASN   3          1HB       ASN   3   9.225 -22.132  -6.130
   19   1HD2  ASN   3          1HD2      ASN   3  12.468 -22.864  -7.549
   20   2HD2  ASN   3          2HD2      ASN   3  12.324 -24.545  -7.371
   21    H    ALA   4           H        ALA   4   8.106 -20.556  -9.618
   22    HA   ALA   4           HA       ALA   4   8.113 -17.824  -8.705
   23   1HB   ALA   4          1HB       ALA   4   5.947 -19.308 -10.226
   24   2HB   ALA   4          2HB       ALA   4   7.344 -18.530 -10.970
   25   3HB   ALA   4          3HB       ALA   4   6.140 -17.557 -10.125
   26    H    LEU   5           H        LEU   5   6.370 -20.701  -7.725
   27    HA   LEU   5           HA       LEU   5   4.802 -21.059  -6.017
   28   1HB   LEU   5          2HB       LEU   5   6.802 -19.910  -4.813
   29   2HB   LEU   5          1HB       LEU   5   5.772 -18.480  -4.786
   30    HG   LEU   5           HG       LEU   5   3.972 -20.165  -3.834
   31   1HD1  LEU   5          1HD1      LEU   5   5.367 -22.175  -4.136
   32   2HD1  LEU   5          2HD1      LEU   5   5.026 -21.908  -2.427
   33   3HD1  LEU   5          3HD1      LEU   5   6.605 -21.482  -3.087
   34   1HD2  LEU   5          1HD2      LEU   5   4.852 -18.226  -2.612
   35   2HD2  LEU   5          2HD2      LEU   5   6.320 -19.120  -2.214
   36   3HD2  LEU   5          3HD2      LEU   5   4.770 -19.623  -1.539
   37    H    ALA   6           H        ALA   6   3.439 -20.201  -8.044
   38    HA   ALA   6           HA       ALA   6   1.429 -19.153  -8.645
   39   1HB   ALA   6          1HB       ALA   6  -0.032 -18.554  -6.961
   40   2HB   ALA   6          2HB       ALA   6   1.215 -17.740  -6.020
   41   3HB   ALA   6          3HB       ALA   6   1.114 -19.500  -6.013
   42    H    SER   7           H        SER   7   4.262 -17.625  -7.910
   43    HA   SER   7           HA       SER   7   5.169 -15.560  -8.529
   44   1HB   SER   7          2HB       SER   7   2.621 -14.956 -10.022
   45   2HB   SER   7          1HB       SER   7   4.269 -14.478 -10.415
   46    HG   SER   7           HG       SER   7   3.057 -17.029 -10.609
   47    H    ALA   8           H        ALA   8   4.661 -13.109  -8.391
   48    HA   ALA   8           HA       ALA   8   3.242 -12.661  -5.854
   49   1HB   ALA   8          1HB       ALA   8   4.888 -10.883  -7.669
   50   2HB   ALA   8          2HB       ALA   8   5.327 -11.504  -6.078
   51   3HB   ALA   8          3HB       ALA   8   4.071 -10.276  -6.228
   52    H    THR   9           H        THR   9   1.872 -10.503  -5.835
   53    HA   THR   9           HA       THR   9   0.133 -10.454  -8.270
   54    HB   THR   9           HB       THR   9  -1.803 -10.092  -6.691
   55    HG1  THR   9           HG1      THR   9   0.063 -10.991  -4.761
   56   1HG2  THR   9          1HG2      THR   9  -1.843 -12.507  -5.898
   57   2HG2  THR   9          2HG2      THR   9  -0.212 -12.659  -6.549
   58   3HG2  THR   9          3HG2      THR   9  -1.559 -12.283  -7.623
   59    H    CYS  10           H        CYS  10  -1.025  -8.415  -8.558
   60    HA   CYS  10           HA       CYS  10   0.619  -6.113  -8.207
   61   1HB   CYS  10          2HB       CYS  10  -1.220  -6.495  -9.929
   62   2HB   CYS  10          1HB       CYS  10  -2.350  -6.044  -8.663
   63    H    GLU  11           H        GLU  11  -0.044  -4.097  -7.065
   64    HA   GLU  11           HA       GLU  11  -0.632  -4.722  -4.260
   65   1HB   GLU  11          2HB       GLU  11   1.128  -3.167  -4.579
   66   2HB   GLU  11          1HB       GLU  11   0.207  -2.243  -5.765
   67   1HG   GLU  11          2HG       GLU  11  -1.028  -2.478  -3.070
   68   2HG   GLU  11          1HG       GLU  11   0.443  -1.514  -3.153
   69    H    ARG  12           H        ARG  12  -2.007  -2.431  -6.652
   70    HA   ARG  12           HA       ARG  12  -4.351  -1.976  -4.960
   71   1HB   ARG  12          2HB       ARG  12  -5.040  -0.421  -6.689
   72   2HB   ARG  12          1HB       ARG  12  -3.313  -0.211  -6.401
   73   1HG   ARG  12          2HG       ARG  12  -2.921  -0.601  -8.574
   74   2HG   ARG  12          1HG       ARG  12  -3.563  -2.229  -8.383
   75   1HD   ARG  12          2HD       ARG  12  -5.363   0.164  -8.800
   76   2HD   ARG  12          1HD       ARG  12  -4.699  -0.754 -10.150
   77    HE   ARG  12           HE       ARG  12  -5.850  -2.690  -8.538
   78   1HH1  ARG  12          1HH2      ARG  12  -6.868   0.270  -9.996
   79   2HH1  ARG  12          2HH2      ARG  12  -8.516  -0.234 -10.168
   80   1HH2  ARG  12          2HH1      ARG  12  -7.991  -3.355  -8.758
   81   2HH2  ARG  12          1HH1      ARG  12  -9.150  -2.282  -9.469
   82    H    CYS  13           H        CYS  13  -3.557  -4.108  -7.606
   83    HA   CYS  13           HA       CYS  13  -6.453  -4.833  -7.811
   84   1HB   CYS  13          2HB       CYS  13  -6.239  -5.044 -10.070
   85   2HB   CYS  13          1HB       CYS  13  -4.870  -3.964  -9.835
   86    H    LYS  14           H        LYS  14  -3.308  -5.996  -6.957
   87    HA   LYS  14           HA       LYS  14  -2.568  -8.123  -6.299
   88   1HB   LYS  14          2HB       LYS  14  -5.536  -8.488  -5.785
   89   2HB   LYS  14          1HB       LYS  14  -4.262  -9.537  -5.166
   90   1HG   LYS  14          2HG       LYS  14  -4.227  -6.564  -4.638
   91   2HG   LYS  14          1HG       LYS  14  -5.139  -7.663  -3.605
   92   1HD   LYS  14          2HD       LYS  14  -2.232  -8.168  -4.248
   93   2HD   LYS  14          1HD       LYS  14  -2.707  -7.124  -2.910
   94   1HE   LYS  14          2HE       LYS  14  -3.300  -8.883  -1.618
   95   2HE   LYS  14          1HE       LYS  14  -4.190  -9.648  -2.934
   96   1HZ   LYS  14          1HZ       LYS  14  -1.723 -10.027  -3.789
   97   2HZ   LYS  14          2HZ       LYS  14  -2.509 -11.124  -2.755
   98   3HZ   LYS  14          3HZ       LYS  14  -1.413  -9.993  -2.120
   99    H    GLY  15           H        GLY  15  -2.947  -7.787  -9.069
  100   1HA   GLY  15          2HA       GLY  15  -4.296 -10.244 -10.020
  101   2HA   GLY  15          1HA       GLY  15  -3.588  -8.993 -11.042
  102    H    GLY  16           H        GLY  16  -3.162 -12.115 -10.158
  103   1HA   GLY  16          2HA       GLY  16  -0.418 -12.368  -9.511
  104   2HA   GLY  16          1HA       GLY  16  -1.354 -13.597 -10.364
  105    H    PHE  17           H        PHE  17   1.086 -11.240 -10.664
  106    HA   PHE  17           HA       PHE  17   1.032 -11.518 -13.642
  107   1HB   PHE  17          2HB       PHE  17   2.551  -9.405 -13.508
  108   2HB   PHE  17          1HB       PHE  17   0.819  -9.220 -13.295
  109    HD1  PHE  17           HD1      PHE  17   1.165  -7.083 -12.095
  110    HD2  PHE  17           HD2      PHE  17   2.793 -10.768 -10.592
  111    HE1  PHE  17           HE1      PHE  17   1.577  -6.014  -9.910
  112    HE2  PHE  17           HE2      PHE  17   3.195  -9.689  -8.410
  113    HZ   PHE  17           HZ       PHE  17   2.587  -7.321  -8.066
  114    H    ALA  18           H        ALA  18   3.555 -10.831 -14.328
  115    HA   ALA  18           HA       ALA  18   5.626 -11.972 -12.704
  116   1HB   ALA  18          1HB       ALA  18   5.316 -14.169 -13.087
  117   2HB   ALA  18          2HB       ALA  18   5.723 -13.867 -14.775
  118   3HB   ALA  18          3HB       ALA  18   4.038 -13.843 -14.257
  119    HA   PRO  19           HA       PRO  19   7.243 -11.310 -17.256
  120   1HB   PRO  19          2HB       PRO  19   5.123  -9.952 -18.679
  121   2HB   PRO  19          1HB       PRO  19   5.917 -11.479 -19.089
  122   1HG   PRO  19          2HG       PRO  19   3.261 -11.118 -18.058
  123   2HG   PRO  19          1HG       PRO  19   4.081 -12.644 -18.413
  124   1HD   PRO  19          2HD       PRO  19   3.459 -11.530 -15.830
  125   2HD   PRO  19          1HD       PRO  19   4.276 -13.062 -16.187
  126    H    ALA  20           H        ALA  20   8.358  -9.376 -17.687
  127    HA   ALA  20           HA       ALA  20   8.169  -7.220 -15.876
  128   1HB   ALA  20          1HB       ALA  20   9.648  -6.006 -17.440
  129   2HB   ALA  20          2HB       ALA  20   9.304  -7.203 -18.690
  130   3HB   ALA  20          3HB       ALA  20  10.175  -7.676 -17.231
  131    H    GLU  21           H        GLU  21   6.298  -7.849 -18.726
  132    HA   GLU  21           HA       GLU  21   5.462  -5.088 -19.159
  133   1HB   GLU  21          2HB       GLU  21   3.964  -7.554 -20.069
  134   2HB   GLU  21          1HB       GLU  21   4.011  -5.964 -20.829
  135   1HG   GLU  21          2HG       GLU  21   5.532  -7.016 -22.190
  136   2HG   GLU  21          1HG       GLU  21   6.642  -6.535 -20.907
  137    H    LYS  22           H        LYS  22   4.263  -7.901 -17.404
  138    HA   LYS  22           HA       LYS  22   1.887  -6.360 -16.512
  139   1HB   LYS  22          2HB       LYS  22   2.605  -9.262 -15.996
  140   2HB   LYS  22          1HB       LYS  22   1.052  -8.490 -15.665
  141   1HG   LYS  22          2HG       LYS  22   0.840  -7.982 -18.109
  142   2HG   LYS  22          1HG       LYS  22   2.320  -8.899 -18.390
  143   1HD   LYS  22          2HD       LYS  22   1.222 -10.887 -17.315
  144   2HD   LYS  22          1HD       LYS  22  -0.274  -9.959 -17.231
  145   1HE   LYS  22          2HE       LYS  22  -0.425 -11.253 -19.235
  146   2HE   LYS  22          1HE       LYS  22  -0.047  -9.609 -19.750
  147   1HZ   LYS  22          1HZ       LYS  22   1.358 -11.165 -20.898
  148   2HZ   LYS  22          2HZ       LYS  22   1.881 -11.847 -19.433
  149   3HZ   LYS  22          3HZ       LYS  22   2.307 -10.250 -19.829
  150    H    ILE  23           H        ILE  23   4.966  -7.543 -15.413
  151    HA   ILE  23           HA       ILE  23   4.270  -6.923 -12.591
  152    HB   ILE  23           HB       ILE  23   6.047  -8.806 -13.888
  153   1HG1  ILE  23          2HG1      ILE  23   4.381  -9.273 -12.097
  154   2HG1  ILE  23          1HG1      ILE  23   5.990  -9.864 -11.693
  155   1HG2  ILE  23          1HG2      ILE  23   7.892  -7.324 -13.515
  156   2HG2  ILE  23          2HG2      ILE  23   7.945  -8.516 -12.220
  157   3HG2  ILE  23          3HG2      ILE  23   7.313  -6.901 -11.902
  158   1HD1  ILE  23          1HD1      ILE  23   6.293  -7.558 -10.516
  159   2HD1  ILE  23          2HD1      ILE  23   5.315  -8.784  -9.717
  160   3HD1  ILE  23          3HD1      ILE  23   4.533  -7.467 -10.590
  161    H    VAL  24           H        VAL  24   4.800  -4.979 -11.790
  162    HA   VAL  24           HA       VAL  24   7.217  -3.583 -12.819
  163    HB   VAL  24           HB       VAL  24   4.718  -1.986 -12.279
  164   1HG1  VAL  24          1HG1      VAL  24   7.131  -1.568 -14.067
  165   2HG1  VAL  24          2HG1      VAL  24   6.897  -0.852 -12.472
  166   3HG1  VAL  24          3HG1      VAL  24   5.830  -0.406 -13.803
  167   1HG2  VAL  24          1HG2      VAL  24   4.024  -3.624 -13.976
  168   2HG2  VAL  24          2HG2      VAL  24   5.473  -3.286 -14.923
  169   3HG2  VAL  24          3HG2      VAL  24   4.236  -2.044 -14.731
  170    H    ASN  25           H        ASN  25   8.431  -3.135 -11.047
  171    HA   ASN  25           HA       ASN  25   6.990  -2.747  -8.456
  172   1HB   ASN  25          2HB       ASN  25   8.288  -4.645  -8.113
  173   2HB   ASN  25          1HB       ASN  25   9.601  -4.068  -9.137
  174   1HD2  ASN  25          1HD2      ASN  25   7.917  -3.098  -6.084
  175   2HD2  ASN  25          2HD2      ASN  25   9.331  -2.576  -5.303
  176    H    SER  26           H        SER  26   7.697  -1.049  -7.112
  177    HA   SER  26           HA       SER  26   9.786   0.774  -8.123
  178   1HB   SER  26          2HB       SER  26   8.395   2.604  -8.530
  179   2HB   SER  26          1HB       SER  26   7.396   1.274  -9.125
  180    HG   SER  26           HG       SER  26   7.248   2.664  -6.659
  181    H    ASN  27           H        ASN  27  10.959   1.282  -6.355
  182    HA   ASN  27           HA       ASN  27  11.486   1.916  -4.162
  183   1HB   ASN  27          2HB       ASN  27   9.154   3.208  -4.605
  184   2HB   ASN  27          1HB       ASN  27   8.654   2.130  -3.304
  185   1HD2  ASN  27          1HD2      ASN  27  10.425   5.017  -4.033
  186   2HD2  ASN  27          2HD2      ASN  27  11.023   5.299  -2.470
  187    H    GLY  28           H        GLY  28   8.682  -0.238  -4.426
  188   1HA   GLY  28          2HA       GLY  28   9.826  -2.489  -3.246
  189   2HA   GLY  28          1HA       GLY  28   9.161  -1.564  -1.900
  190    H    GLU  29           H        GLU  29   7.018  -0.519  -3.820
  191    HA   GLU  29           HA       GLU  29   5.107  -2.696  -3.308
  192   1HB   GLU  29          2HB       GLU  29   4.978   0.146  -3.712
  193   2HB   GLU  29          1HB       GLU  29   3.929  -0.646  -4.887
  194   1HG   GLU  29          2HG       GLU  29   2.878  -1.939  -3.039
  195   2HG   GLU  29          1HG       GLU  29   3.874  -1.051  -1.885
  196    H    LEU  30           H        LEU  30   3.602  -3.370  -5.123
  197    HA   LEU  30           HA       LEU  30   5.120  -3.616  -7.697
  198   1HB   LEU  30          2HB       LEU  30   3.671  -5.583  -6.022
  199   2HB   LEU  30          1HB       LEU  30   3.350  -5.687  -7.753
  200    HG   LEU  30           HG       LEU  30   5.724  -5.891  -8.236
  201   1HD1  LEU  30          1HD1      LEU  30   5.987  -5.331  -5.282
  202   2HD1  LEU  30          2HD1      LEU  30   6.817  -4.555  -6.630
  203   3HD1  LEU  30          3HD1      LEU  30   7.255  -6.193  -6.153
  204   1HD2  LEU  30          1HD2      LEU  30   4.640  -7.707  -6.075
  205   2HD2  LEU  30          2HD2      LEU  30   6.200  -8.007  -6.840
  206   3HD2  LEU  30          3HD2      LEU  30   4.730  -8.006  -7.810
  207    H    TYR  31           H        TYR  31   3.958  -3.255  -9.606
  208    HA   TYR  31           HA       TYR  31   1.042  -2.733  -9.430
  209   1HB   TYR  31          2HB       TYR  31   2.629  -0.717 -10.953
  210   2HB   TYR  31          1HB       TYR  31   1.099  -0.516 -10.109
  211    HD1  TYR  31           HD1      TYR  31   4.740  -1.169  -9.426
  212    HD2  TYR  31           HD2      TYR  31   1.070   0.602  -8.063
  213    HE1  TYR  31           HE1      TYR  31   5.942  -0.146  -7.523
  214    HE2  TYR  31           HE2      TYR  31   2.275   1.626  -6.155
  215    HH   TYR  31           HH       TYR  31   5.748   1.605  -5.960
  216    H    HIS  32           H        HIS  32   0.064  -2.599 -11.564
  217    HA   HIS  32           HA       HIS  32   1.441  -4.302 -13.565
  218   1HB   HIS  32          2HB       HIS  32  -1.376  -3.427 -13.047
  219   2HB   HIS  32          1HB       HIS  32  -0.931  -3.757 -14.716
  220    HD2  HIS  32           HD2      HIS  32   0.205  -6.516 -15.008
  221    HE1  HIS  32           HE1      HIS  32  -2.030  -7.909 -11.711
  222    HE2  HIS  32           HE2      HIS  32  -0.687  -8.620 -13.743
  223    H    GLU  33           H        GLU  33   0.921  -3.426 -15.949
  224    HA   GLU  33           HA       GLU  33   2.079  -0.746 -16.063
  225   1HB   GLU  33          2HB       GLU  33   1.887  -1.034 -18.537
  226   2HB   GLU  33          1HB       GLU  33   2.709  -2.395 -17.777
  227   1HG   GLU  33          2HG       GLU  33   1.192  -3.777 -18.704
  228   2HG   GLU  33          1HG       GLU  33  -0.058  -3.013 -17.721
  229    H    GLN  34           H        GLN  34  -0.800  -1.620 -15.120
  230    HA   GLN  34           HA       GLN  34  -2.084   0.859 -15.967
  231   1HB   GLN  34          2HB       GLN  34  -2.550  -0.831 -17.823
  232   2HB   GLN  34          1HB       GLN  34  -3.469  -1.753 -16.634
  233   1HG   GLN  34          2HG       GLN  34  -5.143  -0.153 -16.480
  234   2HG   GLN  34          1HG       GLN  34  -4.071   1.166 -16.947
  235   1HE2  GLN  34          1HE2      GLN  34  -6.440  -1.021 -18.128
  236   2HE2  GLN  34          2HE2      GLN  34  -6.225  -0.717 -19.784
  237    H    CYS  35           H        CYS  35  -1.305   0.167 -13.459
  238    HA   CYS  35           HA       CYS  35  -3.912  -0.256 -12.087
  239   1HB   CYS  35          2HB       CYS  35  -1.367  -1.788 -11.632
  240   2HB   CYS  35          1HB       CYS  35  -2.512  -1.565 -10.320
  241    H    PHE  36           H        PHE  36  -0.867   1.316 -12.335
  242    HA   PHE  36           HA       PHE  36  -0.253   2.305  -9.827
  243   1HB   PHE  36          2HB       PHE  36  -0.324   3.666 -12.516
  244   2HB   PHE  36          1HB       PHE  36   0.170   4.541 -11.079
  245    HD1  PHE  36           HD1      PHE  36   0.833   1.269 -12.802
  246    HD2  PHE  36           HD2      PHE  36   2.403   4.521 -10.489
  247    HE1  PHE  36           HE1      PHE  36   3.104   0.290 -12.971
  248    HE2  PHE  36           HE2      PHE  36   4.678   3.543 -10.651
  249    HZ   PHE  36           HZ       PHE  36   5.027   1.426 -11.895
  250    H    VAL  37           H        VAL  37  -1.646   3.060  -8.266
  251    HA   VAL  37           HA       VAL  37  -3.840   4.898  -9.138
  252    HB   VAL  37           HB       VAL  37  -4.993   3.869  -6.985
  253   1HG1  VAL  37          1HG1      VAL  37  -4.849   2.545  -9.709
  254   2HG1  VAL  37          2HG1      VAL  37  -6.003   3.767  -9.180
  255   3HG1  VAL  37          3HG1      VAL  37  -6.056   2.150  -8.486
  256   1HG2  VAL  37          1HG2      VAL  37  -2.717   2.375  -6.958
  257   2HG2  VAL  37          2HG2      VAL  37  -3.776   1.331  -7.897
  258   3HG2  VAL  37          3HG2      VAL  37  -4.248   1.833  -6.275
  259    H    CYS  38           H        CYS  38  -4.767   6.085  -7.158
  260    HA   CYS  38           HA       CYS  38  -2.506   7.304  -5.673
  261   1HB   CYS  38          2HB       CYS  38  -4.303   8.667  -6.867
  262   2HB   CYS  38          1HB       CYS  38  -5.430   8.102  -5.642
  263    H    ALA  39           H        ALA  39  -2.066   6.495  -3.655
  264    HA   ALA  39           HA       ALA  39  -3.562   4.509  -2.335
  265   1HB   ALA  39          1HB       ALA  39  -1.331   6.272  -1.649
  266   2HB   ALA  39          2HB       ALA  39  -1.608   4.591  -1.202
  267   3HB   ALA  39          3HB       ALA  39  -2.335   5.886  -0.254
  268    H    GLN  40           H        GLN  40  -4.452   7.741  -2.769
  269    HA   GLN  40           HA       GLN  40  -6.271   7.651  -0.394
  270   1HB   GLN  40          2HB       GLN  40  -5.390  10.054  -2.014
  271   2HB   GLN  40          1HB       GLN  40  -6.376  10.089  -0.553
  272   1HG   GLN  40          2HG       GLN  40  -4.560   9.275   0.792
  273   2HG   GLN  40          1HG       GLN  40  -3.593   8.902  -0.635
  274   1HE2  GLN  40          1HE2      GLN  40  -2.244  10.552  -1.429
  275   2HE2  GLN  40          2HE2      GLN  40  -2.281  12.159  -0.885
  276    H    CYS  41           H        CYS  41  -6.348   9.292  -3.591
  277    HA   CYS  41           HA       CYS  41  -9.238   8.929  -3.757
  278   1HB   CYS  41          2HB       CYS  41  -9.126  10.167  -5.782
  279   2HB   CYS  41          1HB       CYS  41  -7.879  10.865  -4.754
  280    H    PHE  42           H        PHE  42  -6.553   7.004  -4.515
  281    HA   PHE  42           HA       PHE  42  -6.321   4.961  -5.614
  282   1HB   PHE  42          2HB       PHE  42  -9.339   4.901  -5.346
  283   2HB   PHE  42          1HB       PHE  42  -8.300   3.518  -5.690
  284    HD1  PHE  42           HD1      PHE  42  -9.984   5.190  -3.124
  285    HD2  PHE  42           HD2      PHE  42  -6.206   3.329  -3.977
  286    HE1  PHE  42           HE1      PHE  42  -9.589   4.876  -0.697
  287    HE2  PHE  42           HE2      PHE  42  -5.812   3.016  -1.550
  288    HZ   PHE  42           HZ       PHE  42  -7.503   3.790   0.091
  289    H    GLN  43           H        GLN  43  -7.117   7.553  -7.186
  290    HA   GLN  43           HA       GLN  43  -8.537   6.653  -9.515
  291   1HB   GLN  43          2HB       GLN  43  -7.681   8.641 -10.621
  292   2HB   GLN  43          1HB       GLN  43  -8.118   9.068  -8.968
  293   1HG   GLN  43          2HG       GLN  43  -6.041   9.954  -8.849
  294   2HG   GLN  43          1HG       GLN  43  -5.491   8.292  -8.677
  295   1HE2  GLN  43          1HE2      GLN  43  -6.356  10.609 -11.313
  296   2HE2  GLN  43          2HE2      GLN  43  -5.134  10.089 -12.369
  297    H    GLN  44           H        GLN  44  -7.808   5.365 -11.177
  298    HA   GLN  44           HA       GLN  44  -5.072   4.312 -10.950
  299   1HB   GLN  44          2HB       GLN  44  -6.253   3.184 -13.228
  300   2HB   GLN  44          1HB       GLN  44  -6.122   2.448 -11.633
  301   1HG   GLN  44          2HG       GLN  44  -8.445   2.381 -12.259
  302   2HG   GLN  44          1HG       GLN  44  -8.285   3.628 -11.023
  303   1HE2  GLN  44          1HE2      GLN  44  -8.083   3.368 -14.627
  304   2HE2  GLN  44          2HE2      GLN  44  -8.879   4.837 -14.920
  305    H    PHE  45           H        PHE  45  -3.534   4.367 -12.606
  306    HA   PHE  45           HA       PHE  45  -4.021   6.287 -14.831
  307   1HB   PHE  45          2HB       PHE  45  -2.654   7.096 -12.657
  308   2HB   PHE  45          1HB       PHE  45  -1.333   6.316 -13.521
  309    HD1  PHE  45           HD1      PHE  45  -2.935   9.363 -13.064
  310    HD2  PHE  45           HD2      PHE  45  -1.423   6.852 -16.206
  311    HE1  PHE  45           HE1      PHE  45  -2.754  11.336 -14.555
  312    HE2  PHE  45           HE2      PHE  45  -1.243   8.825 -17.696
  313    HZ   PHE  45           HZ       PHE  45  -1.908  11.067 -16.870
  314    HA   PRO  46           HA       PRO  46  -2.539   2.589 -16.871
  315   1HB   PRO  46          2HB       PRO  46  -2.371   4.088 -19.318
  316   2HB   PRO  46          1HB       PRO  46  -3.575   2.882 -18.856
  317   1HG   PRO  46          2HG       PRO  46  -3.931   5.736 -19.025
  318   2HG   PRO  46          1HG       PRO  46  -5.125   4.522 -18.549
  319   1HD   PRO  46          2HD       PRO  46  -3.796   6.435 -16.861
  320   2HD   PRO  46          1HD       PRO  46  -4.973   5.194 -16.381
  321    H    GLU  47           H        GLU  47  -0.435   2.166 -16.366
  322    HA   GLU  47           HA       GLU  47   1.889   2.605 -16.056
  323   1HB   GLU  47          2HB       GLU  47   2.944   2.674 -18.431
  324   2HB   GLU  47          1HB       GLU  47   1.998   1.259 -17.980
  325   1HG   GLU  47          2HG       GLU  47   0.011   2.270 -19.102
  326   2HG   GLU  47          1HG       GLU  47   1.024   3.618 -19.623
  327    H    GLY  48           H        GLY  48   0.703   4.981 -15.441
  328   1HA   GLY  48          2HA       GLY  48   1.911   7.097 -17.112
  329   2HA   GLY  48          1HA       GLY  48   0.850   7.352 -15.729
  330    H    LEU  49           H        LEU  49   2.464   5.456 -14.063
  331    HA   LEU  49           HA       LEU  49   4.256   5.578 -12.555
  332   1HB   LEU  49          2HB       LEU  49   5.479   5.648 -14.893
  333   2HB   LEU  49          1HB       LEU  49   5.764   7.337 -14.478
  334    HG   LEU  49           HG       LEU  49   6.358   5.227 -12.428
  335   1HD1  LEU  49          1HD1      LEU  49   8.672   5.060 -13.352
  336   2HD1  LEU  49          2HD1      LEU  49   8.140   5.961 -14.771
  337   3HD1  LEU  49          3HD1      LEU  49   7.459   4.370 -14.431
  338   1HD2  LEU  49          1HD2      LEU  49   7.509   7.935 -13.171
  339   2HD2  LEU  49          2HD2      LEU  49   8.181   6.899 -11.912
  340   3HD2  LEU  49          3HD2      LEU  49   6.549   7.544 -11.744
  341    H    PHE  50           H        PHE  50   3.558   6.833 -10.871
  342    HA   PHE  50           HA       PHE  50   3.813   9.794 -11.199
  343   1HB   PHE  50          2HB       PHE  50   1.939   9.874  -9.449
  344   2HB   PHE  50          1HB       PHE  50   1.491   9.369 -11.069
  345    HD1  PHE  50           HD1      PHE  50   3.299   7.216  -8.591
  346    HD2  PHE  50           HD2      PHE  50  -0.436   8.058 -10.542
  347    HE1  PHE  50           HE1      PHE  50   2.340   5.136  -7.666
  348    HE2  PHE  50           HE2      PHE  50  -1.382   5.970  -9.606
  349    HZ   PHE  50           HZ       PHE  50   0.008   4.507  -8.175
  350    H    TYR  51           H        TYR  51   2.951   9.601  -8.137
  351    HA   TYR  51           HA       TYR  51   5.752   9.532  -7.187
  352   1HB   TYR  51          2HB       TYR  51   3.286  10.878  -6.384
  353   2HB   TYR  51          1HB       TYR  51   4.086  10.110  -5.015
  354    HD1  TYR  51           HD1      TYR  51   6.488  10.634  -4.511
  355    HD2  TYR  51           HD2      TYR  51   4.229  12.807  -7.450
  356    HE1  TYR  51           HE1      TYR  51   8.170  12.454  -4.458
  357    HE2  TYR  51           HE2      TYR  51   5.912  14.628  -7.396
  358    HH   TYR  51           HH       TYR  51   7.650  15.471  -5.592
  359    H    GLU  52           H        GLU  52   5.196   7.052  -7.854
  360    HA   GLU  52           HA       GLU  52   3.814   5.519  -5.833
  361   1HB   GLU  52          2HB       GLU  52   4.684   3.553  -7.010
  362   2HB   GLU  52          1HB       GLU  52   4.084   4.726  -8.173
  363   1HG   GLU  52          2HG       GLU  52   7.002   4.585  -7.387
  364   2HG   GLU  52          1HG       GLU  52   6.331   3.668  -8.731
  365    H    PHE  53           H        PHE  53   4.626   4.565  -3.994
  366    HA   PHE  53           HA       PHE  53   7.572   4.617  -3.554
  367   1HB   PHE  53          2HB       PHE  53   5.963   6.543  -2.442
  368   2HB   PHE  53          1HB       PHE  53   5.965   5.315  -1.176
  369    HD1  PHE  53           HD1      PHE  53   7.994   4.735   0.022
  370    HD2  PHE  53           HD2      PHE  53   8.070   7.600  -3.180
  371    HE1  PHE  53           HE1      PHE  53  10.271   5.439   0.704
  372    HE2  PHE  53           HE2      PHE  53  10.347   8.303  -2.495
  373    HZ   PHE  53           HZ       PHE  53  11.448   7.222  -0.553
  374    H    GLU  54           H        GLU  54   8.094   3.329  -1.489
  375    HA   GLU  54           HA       GLU  54   6.931   0.707  -1.736
  376   1HB   GLU  54          2HB       GLU  54   9.257   1.005  -1.048
  377   2HB   GLU  54          1HB       GLU  54   8.744   1.877   0.397
  378   1HG   GLU  54          2HG       GLU  54   7.641  -0.105   1.268
  379   2HG   GLU  54          1HG       GLU  54   7.958  -0.986  -0.227
  380    H    GLY  55           H        GLY  55   4.929   0.230  -1.011
  381   1HA   GLY  55          2HA       GLY  55   3.232  -0.139   0.585
  382   2HA   GLY  55          1HA       GLY  55   4.235   0.675   1.783
  383    H    ARG  56           H        ARG  56   4.258   2.853  -0.615
  384    HA   ARG  56           HA       ARG  56   1.556   3.971  -0.131
  385   1HB   ARG  56          2HB       ARG  56   4.104   5.439   0.621
  386   2HB   ARG  56          1HB       ARG  56   2.489   6.147   0.609
  387   1HG   ARG  56          2HG       ARG  56   1.757   4.463   2.283
  388   2HG   ARG  56          1HG       ARG  56   3.397   3.817   2.327
  389   1HD   ARG  56          2HD       ARG  56   3.076   5.370   4.188
  390   2HD   ARG  56          1HD       ARG  56   4.232   6.049   3.041
  391    HE   ARG  56           HE       ARG  56   1.791   7.071   2.211
  392   1HH1  ARG  56          1HH2      ARG  56   3.579   6.963   5.163
  393   2HH1  ARG  56          2HH2      ARG  56   2.944   8.463   5.750
  394   1HH2  ARG  56          2HH1      ARG  56   0.962   9.021   2.964
  395   2HH2  ARG  56          1HH1      ARG  56   1.465   9.628   4.506
  396    H    LYS  57           H        LYS  57   1.045   4.051  -2.301
  397    HA   LYS  57           HA       LYS  57   2.934   5.523  -4.082
  398   1HB   LYS  57          2HB       LYS  57   2.253   4.214  -5.874
  399   2HB   LYS  57          1HB       LYS  57   2.126   3.058  -4.554
  400   1HG   LYS  57          2HG       LYS  57  -0.189   4.759  -5.501
  401   2HG   LYS  57          1HG       LYS  57   0.124   3.132  -6.094
  402   1HD   LYS  57          2HD       LYS  57   0.052   2.323  -3.715
  403   2HD   LYS  57          1HD       LYS  57  -0.466   3.939  -3.234
  404   1HE   LYS  57          2HE       LYS  57  -2.444   3.779  -4.644
  405   2HE   LYS  57          1HE       LYS  57  -1.891   2.226  -5.271
  406   1HZ   LYS  57          1HZ       LYS  57  -3.588   2.325  -3.318
  407   2HZ   LYS  57          2HZ       LYS  57  -2.195   2.553  -2.373
  408   3HZ   LYS  57          3HZ       LYS  57  -2.360   1.154  -3.324
  409    H    TYR  58           H        TYR  58   2.094   7.265  -5.344
  410    HA   TYR  58           HA       TYR  58  -0.757   8.005  -4.887
  411   1HB   TYR  58          2HB       TYR  58   1.577   9.869  -4.382
  412   2HB   TYR  58          1HB       TYR  58  -0.127  10.301  -4.259
  413    HD1  TYR  58           HD1      TYR  58   2.726   8.947  -2.568
  414    HD2  TYR  58           HD2      TYR  58  -1.569   8.998  -2.559
  415    HE1  TYR  58           HE1      TYR  58   2.731   8.202  -0.211
  416    HE2  TYR  58           HE2      TYR  58  -1.569   8.242  -0.193
  417    HH   TYR  58           HH       TYR  58   0.111   6.913   1.308
  418    H    CYS  59           H        CYS  59  -1.639   9.247  -6.543
  419    HA   CYS  59           HA       CYS  59  -0.011   9.433  -8.988
  420   1HB   CYS  59          2HB       CYS  59  -2.112  10.109 -10.089
  421   2HB   CYS  59          1HB       CYS  59  -2.326   8.607  -9.188
  422    H    GLU  60           H        GLU  60   0.207  11.470 -10.133
  423    HA   GLU  60           HA       GLU  60   1.214  13.575  -8.602
  424   1HB   GLU  60          2HB       GLU  60   1.548  13.317 -11.049
  425   2HB   GLU  60          1HB       GLU  60  -0.126  13.801 -11.316
  426   1HG   GLU  60          2HG       GLU  60   0.264  16.008 -10.646
  427   2HG   GLU  60          1HG       GLU  60   1.702  15.578  -9.720
  428    H    HIS  61           H        HIS  61  -2.093  12.725  -9.000
  429    HA   HIS  61           HA       HIS  61  -3.301  15.303  -8.780
  430   1HB   HIS  61          2HB       HIS  61  -4.970  13.828  -9.265
  431   2HB   HIS  61          1HB       HIS  61  -4.153  12.496  -8.462
  432    HD2  HIS  61           HD2      HIS  61  -6.094  15.739  -7.178
  433    HE1  HIS  61           HE1      HIS  61  -6.866  12.540  -4.540
  434    HE2  HIS  61           HE2      HIS  61  -7.363  14.976  -5.031
  435    H    ASP  62           H        ASP  62  -3.223  12.923  -6.101
  436    HA   ASP  62           HA       ASP  62  -3.723  14.856  -4.084
  437   1HB   ASP  62          2HB       ASP  62  -2.984  12.045  -4.205
  438   2HB   ASP  62          1HB       ASP  62  -2.172  12.863  -2.872
  439    H    PHE  63           H        PHE  63  -0.717  13.752  -5.528
  440    HA   PHE  63           HA       PHE  63   0.954  15.111  -3.589
  441   1HB   PHE  63          2HB       PHE  63   1.321  13.403  -5.950
  442   2HB   PHE  63          1HB       PHE  63   2.611  14.560  -5.649
  443    HD1  PHE  63           HD1      PHE  63   0.291  12.558  -3.493
  444    HD2  PHE  63           HD2      PHE  63   4.332  13.649  -4.379
  445    HE1  PHE  63           HE1      PHE  63   1.070  11.198  -1.577
  446    HE2  PHE  63           HE2      PHE  63   5.120  12.263  -2.479
  447    HZ   PHE  63           HZ       PHE  63   3.491  11.046  -1.071
  448    H    GLN  64           H        GLN  64  -0.271  15.970  -6.849
  449    HA   GLN  64           HA       GLN  64   1.431  18.340  -6.958
  450   1HB   GLN  64          2HB       GLN  64   0.210  18.989  -8.898
  451   2HB   GLN  64          1HB       GLN  64   0.307  17.234  -8.984
  452   1HG   GLN  64          2HG       GLN  64  -1.964  17.096  -7.961
  453   2HG   GLN  64          1HG       GLN  64  -2.057  18.852  -7.984
  454   1HE2  GLN  64          1HE2      GLN  64  -1.930  19.901 -10.193
  455   2HE2  GLN  64          2HE2      GLN  64  -2.489  19.033 -11.540
  456    H    MET  65           H        MET  65  -1.476  17.456  -5.404
  457    HA   MET  65           HA       MET  65  -2.602  20.093  -5.020
  458   1HB   MET  65          2HB       MET  65  -3.762  17.799  -4.687
  459   2HB   MET  65          1HB       MET  65  -2.939  17.754  -3.128
  460   1HG   MET  65          2HG       MET  65  -3.953  19.993  -2.602
  461   2HG   MET  65          1HG       MET  65  -4.884  19.869  -4.093
  462   1HE   MET  65          1HE       MET  65  -5.924  20.226  -1.053
  463   2HE   MET  65          2HE       MET  65  -7.395  19.260  -1.128
  464   3HE   MET  65          3HE       MET  65  -6.963  20.298  -2.484
  465    H    LEU  66           H        LEU  66  -0.401  17.977  -3.215
  466    HA   LEU  66           HA       LEU  66  -0.044  19.767  -0.965
  467   1HB   LEU  66          2HB       LEU  66   2.156  17.947  -1.927
  468   2HB   LEU  66          1HB       LEU  66   1.668  18.316  -0.274
  469    HG   LEU  66           HG       LEU  66   0.178  16.589  -2.262
  470   1HD1  LEU  66          1HD1      LEU  66   1.416  15.936   0.427
  471   2HD1  LEU  66          2HD1      LEU  66   2.145  15.558  -1.134
  472   3HD1  LEU  66          3HD1      LEU  66   0.625  14.797  -0.663
  473   1HD2  LEU  66          1HD2      LEU  66  -1.527  17.705  -1.035
  474   2HD2  LEU  66          2HD2      LEU  66  -0.591  17.663   0.459
  475   3HD2  LEU  66          3HD2      LEU  66  -1.301  16.180  -0.178
  476    H    PHE  67           H        PHE  67   1.208  19.510  -4.182
  477    HA   PHE  67           HA       PHE  67   2.545  20.911  -5.460
  478   1HB   PHE  67          2HB       PHE  67   1.092  22.600  -3.851
  479   2HB   PHE  67          1HB       PHE  67   2.743  23.072  -3.455
  480    HD1  PHE  67           HD1      PHE  67   0.124  23.126  -5.972
  481    HD2  PHE  67           HD2      PHE  67   4.323  23.735  -5.302
  482    HE1  PHE  67           HE1      PHE  67   0.286  24.365  -8.114
  483    HE2  PHE  67           HE2      PHE  67   4.485  24.975  -7.444
  484    HZ   PHE  67           HZ       PHE  67   2.467  25.289  -8.851
  485    H    ALA  68           H        ALA  68   4.359  19.502  -5.187
  486    HA   ALA  68           HA       ALA  68   6.446  20.579  -3.333
  487   1HB   ALA  68          1HB       ALA  68   7.248  18.220  -3.062
  488   2HB   ALA  68          2HB       ALA  68   5.821  17.674  -3.944
  489   3HB   ALA  68          3HB       ALA  68   5.639  18.486  -2.389
  490    HA   PRO  69           HA       PRO  69   7.881  20.662  -7.731
  491   1HB   PRO  69          2HB       PRO  69   9.441  22.963  -7.006
  492   2HB   PRO  69          1HB       PRO  69   8.010  22.907  -8.045
  493   1HG   PRO  69          2HG       PRO  69   8.204  23.971  -5.369
  494   2HG   PRO  69          1HG       PRO  69   6.782  23.924  -6.418
  495   1HD   PRO  69          2HD       PRO  69   7.304  22.324  -4.075
  496   2HD   PRO  69          1HD       PRO  69   5.876  22.284  -5.128
  497    H    CYS  70           H        CYS  70  10.212  20.592  -8.476
  498    HA   CYS  70           HA       CYS  70  11.783  18.877  -6.773
  499   1HB   CYS  70          2HB       CYS  70  13.538  19.185  -8.556
  500   2HB   CYS  70          1HB       CYS  70  11.975  18.660  -9.178
  501    HG   CYS  70           HG       CYS  70  12.235  21.694  -9.210
  Start of MODEL   21
    1    H    MET   1           1H       MET   1  -3.461 -18.463   1.848
    2    HA   MET   1           HA       MET   1  -3.233 -20.622   0.894
    3   1HB   MET   1          2HB       MET   1  -4.302 -18.491  -0.973
    4   2HB   MET   1          1HB       MET   1  -4.485 -20.215  -1.302
    5   1HG   MET   1          2HG       MET   1  -5.599 -20.487   0.911
    6   2HG   MET   1          1HG       MET   1  -5.486 -18.744   1.157
    7   1HE   MET   1          1HE       MET   1  -9.269 -19.579   0.424
    8   2HE   MET   1          2HE       MET   1  -8.100 -19.029   1.622
    9   3HE   MET   1          3HE       MET   1  -8.098 -20.715   1.110
   10    H    ALA   2           H        ALA   2  -2.554 -21.900  -1.022
   11    HA   ALA   2           HA       ALA   2   0.163 -21.269  -1.800
   12   1HB   ALA   2          1HB       ALA   2  -0.684 -23.599  -1.523
   13   2HB   ALA   2          2HB       ALA   2   0.042 -23.335  -3.108
   14   3HB   ALA   2          3HB       ALA   2  -1.713 -23.368  -2.936
   15    H    ASN   3           H        ASN   3   0.698 -21.477  -4.287
   16    HA   ASN   3           HA       ASN   3  -1.309 -20.008  -5.925
   17   1HB   ASN   3          2HB       ASN   3   1.596 -19.190  -5.591
   18   2HB   ASN   3          1HB       ASN   3   0.459 -18.465  -6.728
   19   1HD2  ASN   3          1HD2      ASN   3  -1.452 -17.317  -5.762
   20   2HD2  ASN   3          2HD2      ASN   3  -1.333 -16.677  -4.195
   21    H    ALA   4           H        ALA   4  -1.568 -22.027  -7.053
   22    HA   ALA   4           HA       ALA   4   0.649 -23.454  -8.223
   23   1HB   ALA   4          1HB       ALA   4  -2.290 -23.407  -8.982
   24   2HB   ALA   4          2HB       ALA   4  -1.519 -24.545  -7.876
   25   3HB   ALA   4          3HB       ALA   4  -1.110 -24.567  -9.592
   26    H    LEU   5           H        LEU   5  -1.805 -21.296  -9.696
   27    HA   LEU   5           HA       LEU   5  -0.267 -21.083 -12.171
   28   1HB   LEU   5          2HB       LEU   5  -2.814 -20.917 -11.965
   29   2HB   LEU   5          1HB       LEU   5  -2.558 -19.307 -11.294
   30    HG   LEU   5           HG       LEU   5  -1.075 -18.944 -13.431
   31   1HD1  LEU   5          1HD1      LEU   5  -2.885 -21.233 -14.268
   32   2HD1  LEU   5          2HD1      LEU   5  -1.123 -21.266 -14.206
   33   3HD1  LEU   5          3HD1      LEU   5  -1.944 -20.236 -15.377
   34   1HD2  LEU   5          1HD2      LEU   5  -3.101 -18.203 -14.675
   35   2HD2  LEU   5          2HD2      LEU   5  -3.160 -17.729 -12.977
   36   3HD2  LEU   5          3HD2      LEU   5  -4.106 -19.106 -13.541
   37    H    ALA   6           H        ALA   6   1.605 -19.930 -12.119
   38    HA   ALA   6           HA       ALA   6   3.086 -18.148 -11.773
   39   1HB   ALA   6          1HB       ALA   6   0.848 -16.362 -10.888
   40   2HB   ALA   6          2HB       ALA   6   0.849 -16.936 -12.555
   41   3HB   ALA   6          3HB       ALA   6   2.215 -16.005 -11.943
   42    H    SER   7           H        SER   7   3.387 -16.253  -9.895
   43    HA   SER   7           HA       SER   7   2.592 -17.292  -7.251
   44   1HB   SER   7          2HB       SER   7   5.481 -17.197  -8.166
   45   2HB   SER   7          1HB       SER   7   4.985 -17.389  -6.487
   46    HG   SER   7           HG       SER   7   3.643 -19.106  -8.063
   47    H    ALA   8           H        ALA   8   2.437 -14.791  -9.000
   48    HA   ALA   8           HA       ALA   8   3.014 -12.893  -6.826
   49   1HB   ALA   8          1HB       ALA   8   4.449 -11.449  -8.121
   50   2HB   ALA   8          2HB       ALA   8   4.227 -12.434  -9.567
   51   3HB   ALA   8          3HB       ALA   8   5.140 -13.070  -8.199
   52    H    THR   9           H        THR   9   1.351 -11.453  -6.768
   53    HA   THR   9           HA       THR   9  -0.171 -10.982  -9.303
   54    HB   THR   9           HB       THR   9  -2.233 -10.928  -8.030
   55    HG1  THR   9           HG1      THR   9  -0.616 -10.381  -6.037
   56   1HG2  THR   9          1HG2      THR   9  -0.672 -13.314  -7.023
   57   2HG2  THR   9          2HG2      THR   9  -1.228 -13.166  -8.690
   58   3HG2  THR   9          3HG2      THR   9  -2.398 -13.224  -7.372
   59    H    CYS  10           H        CYS  10  -1.258  -8.880  -9.385
   60    HA   CYS  10           HA       CYS  10   0.432  -6.707  -8.650
   61   1HB   CYS  10          2HB       CYS  10  -1.243  -6.722 -10.518
   62   2HB   CYS  10          1HB       CYS  10  -2.502  -6.559  -9.306
   63    H    GLU  11           H        GLU  11  -0.027  -4.940  -7.215
   64    HA   GLU  11           HA       GLU  11  -0.817  -5.837  -4.581
   65   1HB   GLU  11          2HB       GLU  11   0.958  -4.110  -5.194
   66   2HB   GLU  11          1HB       GLU  11  -0.362  -2.994  -5.522
   67   1HG   GLU  11          2HG       GLU  11   0.496  -4.216  -2.894
   68   2HG   GLU  11          1HG       GLU  11   0.228  -2.520  -3.278
   69    H    ARG  12           H        ARG  12  -2.059  -3.085  -6.486
   70    HA   ARG  12           HA       ARG  12  -4.510  -2.926  -4.991
   71   1HB   ARG  12          2HB       ARG  12  -5.131  -1.558  -7.225
   72   2HB   ARG  12          1HB       ARG  12  -4.115  -0.887  -5.962
   73   1HG   ARG  12          2HG       ARG  12  -2.732  -2.522  -8.022
   74   2HG   ARG  12          1HG       ARG  12  -3.379  -0.975  -8.548
   75   1HD   ARG  12          2HD       ARG  12  -0.925  -1.296  -7.368
   76   2HD   ARG  12          1HD       ARG  12  -1.827   0.215  -7.403
   77    HE   ARG  12           HE       ARG  12  -2.776  -1.087  -5.133
   78   1HH1  ARG  12          1HH2      ARG  12   0.329  -0.264  -6.379
   79   2HH1  ARG  12          2HH2      ARG  12   1.028   0.003  -4.818
   80   1HH2  ARG  12          2HH1      ARG  12  -1.878  -0.735  -3.098
   81   2HH2  ARG  12          1HH1      ARG  12  -0.216  -0.262  -2.967
   82    H    CYS  13           H        CYS  13  -3.834  -4.227  -8.268
   83    HA   CYS  13           HA       CYS  13  -6.651  -5.109  -8.440
   84   1HB   CYS  13          2HB       CYS  13  -6.376  -5.106 -10.698
   85   2HB   CYS  13          1HB       CYS  13  -4.996  -4.082 -10.313
   86    H    LYS  14           H        LYS  14  -3.559  -6.527  -7.686
   87    HA   LYS  14           HA       LYS  14  -2.974  -8.755  -7.217
   88   1HB   LYS  14          2HB       LYS  14  -5.979  -9.093  -6.966
   89   2HB   LYS  14          1HB       LYS  14  -4.761 -10.211  -6.358
   90   1HG   LYS  14          2HG       LYS  14  -4.747  -7.312  -5.521
   91   2HG   LYS  14          1HG       LYS  14  -5.770  -8.486  -4.695
   92   1HD   LYS  14          2HD       LYS  14  -2.820  -8.985  -5.113
   93   2HD   LYS  14          1HD       LYS  14  -3.414  -8.086  -3.720
   94   1HE   LYS  14          2HE       LYS  14  -3.571 -10.145  -2.758
   95   2HE   LYS  14          1HE       LYS  14  -5.073 -10.257  -3.673
   96   1HZ   LYS  14          1HZ       LYS  14  -2.627 -10.966  -5.088
   97   2HZ   LYS  14          2HZ       LYS  14  -4.173 -11.668  -5.164
   98   3HZ   LYS  14          3HZ       LYS  14  -3.131 -12.038  -3.874
   99    H    GLY  15           H        GLY  15  -3.054  -8.092  -9.915
  100   1HA   GLY  15          2HA       GLY  15  -4.435 -10.344 -11.273
  101   2HA   GLY  15          1HA       GLY  15  -3.638  -8.991 -12.077
  102    H    GLY  16           H        GLY  16  -3.327 -12.206 -11.617
  103   1HA   GLY  16          2HA       GLY  16  -0.649 -12.636 -10.806
  104   2HA   GLY  16          1HA       GLY  16  -1.537 -13.697 -11.899
  105    H    PHE  17           H        PHE  17   0.910 -11.296 -11.666
  106    HA   PHE  17           HA       PHE  17   1.141 -11.222 -14.647
  107   1HB   PHE  17          2HB       PHE  17   2.659  -9.177 -14.127
  108   2HB   PHE  17          1HB       PHE  17   0.919  -8.977 -14.014
  109    HD1  PHE  17           HD1      PHE  17   1.237  -7.011 -12.532
  110    HD2  PHE  17           HD2      PHE  17   2.642 -10.916 -11.401
  111    HE1  PHE  17           HE1      PHE  17   1.504  -6.244 -10.191
  112    HE2  PHE  17           HE2      PHE  17   2.901 -10.143  -9.073
  113    HZ   PHE  17           HZ       PHE  17   2.332  -7.818  -8.469
  114    H    ALA  18           H        ALA  18   3.736 -10.516 -14.995
  115    HA   ALA  18           HA       ALA  18   5.631 -11.864 -13.334
  116   1HB   ALA  18          1HB       ALA  18   5.303 -14.013 -13.926
  117   2HB   ALA  18          2HB       ALA  18   5.887 -13.584 -15.532
  118   3HB   ALA  18          3HB       ALA  18   4.159 -13.556 -15.186
  119    HA   PRO  19           HA       PRO  19   7.648 -10.872 -17.656
  120   1HB   PRO  19          2HB       PRO  19   5.678  -9.365 -19.144
  121   2HB   PRO  19          1HB       PRO  19   6.486 -10.869 -19.605
  122   1HG   PRO  19          2HG       PRO  19   3.753 -10.543 -18.786
  123   2HG   PRO  19          1HG       PRO  19   4.585 -12.050 -19.186
  124   1HD   PRO  19          2HD       PRO  19   3.750 -11.129 -16.587
  125   2HD   PRO  19          1HD       PRO  19   4.578 -12.645 -16.993
  126    H    ALA  20           H        ALA  20   8.784  -8.900 -17.919
  127    HA   ALA  20           HA       ALA  20   8.491  -6.899 -15.935
  128   1HB   ALA  20          1HB       ALA  20  10.587  -7.266 -17.179
  129   2HB   ALA  20          2HB       ALA  20  10.079  -5.580 -17.296
  130   3HB   ALA  20          3HB       ALA  20   9.821  -6.675 -18.654
  131    H    GLU  21           H        GLU  21   6.758  -7.344 -18.875
  132    HA   GLU  21           HA       GLU  21   5.978  -4.550 -19.211
  133   1HB   GLU  21          2HB       GLU  21   4.580  -6.989 -20.341
  134   2HB   GLU  21          1HB       GLU  21   4.561  -5.344 -20.976
  135   1HG   GLU  21          2HG       GLU  21   6.176  -6.208 -22.363
  136   2HG   GLU  21          1HG       GLU  21   7.218  -5.766 -21.011
  137    H    LYS  22           H        LYS  22   4.618  -7.474 -17.759
  138    HA   LYS  22           HA       LYS  22   2.201  -5.998 -16.911
  139   1HB   LYS  22          2HB       LYS  22   3.004  -8.876 -16.381
  140   2HB   LYS  22          1HB       LYS  22   1.416  -8.166 -16.092
  141   1HG   LYS  22          2HG       LYS  22   2.637  -8.044 -18.841
  142   2HG   LYS  22          1HG       LYS  22   1.824  -9.511 -18.303
  143   1HD   LYS  22          2HD       LYS  22   0.373  -6.958 -17.823
  144   2HD   LYS  22          1HD       LYS  22   0.516  -7.471 -19.504
  145   1HE   LYS  22          2HE       LYS  22  -0.445  -9.315 -17.303
  146   2HE   LYS  22          1HE       LYS  22  -1.539  -8.334 -18.278
  147   1HZ   LYS  22          1HZ       LYS  22  -0.684  -9.394 -20.263
  148   2HZ   LYS  22          2HZ       LYS  22  -1.277 -10.564 -19.185
  149   3HZ   LYS  22          3HZ       LYS  22   0.397 -10.320 -19.342
  150    H    ILE  23           H        ILE  23   5.195  -7.292 -15.616
  151    HA   ILE  23           HA       ILE  23   4.395  -6.671 -12.840
  152    HB   ILE  23           HB       ILE  23   6.553  -8.207 -14.164
  153   1HG1  ILE  23          2HG1      ILE  23   4.560  -9.076 -12.811
  154   2HG1  ILE  23          1HG1      ILE  23   6.137  -9.735 -12.380
  155   1HG2  ILE  23          1HG2      ILE  23   7.966  -8.011 -12.022
  156   2HG2  ILE  23          2HG2      ILE  23   7.079  -6.519 -11.712
  157   3HG2  ILE  23          3HG2      ILE  23   8.064  -6.675 -13.167
  158   1HD1  ILE  23          1HD1      ILE  23   4.619  -7.543 -10.935
  159   2HD1  ILE  23          2HD1      ILE  23   6.284  -7.990 -10.565
  160   3HD1  ILE  23          3HD1      ILE  23   4.988  -9.159 -10.333
  161    H    VAL  24           H        VAL  24   4.739  -4.702 -11.996
  162    HA   VAL  24           HA       VAL  24   7.026  -3.061 -12.994
  163    HB   VAL  24           HB       VAL  24   4.356  -1.812 -12.329
  164   1HG1  VAL  24          1HG1      VAL  24   5.344  -0.121 -14.015
  165   2HG1  VAL  24          2HG1      VAL  24   6.861  -0.995 -13.806
  166   3HG1  VAL  24          3HG1      VAL  24   6.095  -0.212 -12.423
  167   1HG2  VAL  24          1HG2      VAL  24   3.946  -1.750 -14.821
  168   2HG2  VAL  24          2HG2      VAL  24   3.837  -3.365 -14.122
  169   3HG2  VAL  24          3HG2      VAL  24   5.280  -2.887 -15.017
  170    H    ASN  25           H        ASN  25   7.931  -3.945 -10.924
  171    HA   ASN  25           HA       ASN  25   6.637  -3.190  -8.427
  172   1HB   ASN  25          2HB       ASN  25   7.936  -5.118  -8.219
  173   2HB   ASN  25          1HB       ASN  25   9.273  -4.446  -9.150
  174   1HD2  ASN  25          1HD2      ASN  25  10.910  -3.345  -7.987
  175   2HD2  ASN  25          2HD2      ASN  25  10.843  -3.040  -6.319
  176    H    SER  26           H        SER  26   7.091  -1.490  -7.123
  177    HA   SER  26           HA       SER  26   9.376   0.274  -7.554
  178   1HB   SER  26          2HB       SER  26   8.289   2.122  -8.461
  179   2HB   SER  26          1HB       SER  26   7.404   0.821  -9.258
  180    HG   SER  26           HG       SER  26   5.689   1.352  -8.163
  181    H    ASN  27           H        ASN  27   9.727   1.525  -5.671
  182    HA   ASN  27           HA       ASN  27   9.457   2.189  -3.436
  183   1HB   ASN  27          2HB       ASN  27   7.498   3.270  -3.171
  184   2HB   ASN  27          1HB       ASN  27   6.902   2.502  -4.637
  185   1HD2  ASN  27          1HD2      ASN  27   6.095   2.911  -1.437
  186   2HD2  ASN  27          2HD2      ASN  27   5.181   1.502  -1.194
  187    H    GLY  28           H        GLY  28   8.638  -0.856  -4.604
  188   1HA   GLY  28          2HA       GLY  28   9.397  -2.780  -3.197
  189   2HA   GLY  28          1HA       GLY  28   8.595  -1.992  -1.835
  190    H    GLU  29           H        GLU  29   6.331  -1.136  -3.586
  191    HA   GLU  29           HA       GLU  29   4.712  -3.566  -3.290
  192   1HB   GLU  29          2HB       GLU  29   4.220  -0.697  -3.904
  193   2HB   GLU  29          1HB       GLU  29   3.063  -1.841  -4.575
  194   1HG   GLU  29          2HG       GLU  29   2.327  -2.535  -2.493
  195   2HG   GLU  29          1HG       GLU  29   3.856  -2.140  -1.703
  196    H    LEU  30           H        LEU  30   3.239  -4.180  -5.185
  197    HA   LEU  30           HA       LEU  30   4.806  -4.143  -7.739
  198   1HB   LEU  30          2HB       LEU  30   3.440  -6.313  -6.247
  199   2HB   LEU  30          1HB       LEU  30   3.140  -6.287  -7.981
  200    HG   LEU  30           HG       LEU  30   5.547  -6.293  -8.431
  201   1HD1  LEU  30          1HD1      LEU  30   5.702  -6.156  -5.416
  202   2HD1  LEU  30          2HD1      LEU  30   6.500  -5.124  -6.602
  203   3HD1  LEU  30          3HD1      LEU  30   7.041  -6.786  -6.376
  204   1HD2  LEU  30          1HD2      LEU  30   4.559  -8.422  -6.512
  205   2HD2  LEU  30          2HD2      LEU  30   6.069  -8.560  -7.411
  206   3HD2  LEU  30          3HD2      LEU  30   4.536  -8.473  -8.274
  207    H    TYR  31           H        TYR  31   3.757  -3.215  -9.424
  208    HA   TYR  31           HA       TYR  31   0.783  -3.068  -9.335
  209   1HB   TYR  31          2HB       TYR  31   2.122  -0.740 -10.568
  210   2HB   TYR  31          1HB       TYR  31   0.665  -0.790  -9.601
  211    HD1  TYR  31           HD1      TYR  31   4.258  -1.709  -8.839
  212    HD2  TYR  31           HD2      TYR  31   0.858   0.715  -7.853
  213    HE1  TYR  31           HE1      TYR  31   5.512  -0.732  -6.960
  214    HE2  TYR  31           HE2      TYR  31   2.120   1.699  -5.955
  215    HH   TYR  31           HH       TYR  31   5.433   0.639  -5.209
  216    H    HIS  32           H        HIS  32  -0.120  -2.607 -11.491
  217    HA   HIS  32           HA       HIS  32   1.417  -3.972 -13.626
  218   1HB   HIS  32          2HB       HIS  32  -1.448  -3.211 -13.191
  219   2HB   HIS  32          1HB       HIS  32  -0.882  -3.351 -14.849
  220    HD2  HIS  32           HD2      HIS  32   0.303  -6.036 -15.387
  221    HE1  HIS  32           HE1      HIS  32  -2.020  -7.822 -12.351
  222    HE2  HIS  32           HE2      HIS  32  -0.583  -8.282 -14.392
  223    H    GLU  33           H        GLU  33   0.578  -2.696 -15.880
  224    HA   GLU  33           HA       GLU  33   2.040  -0.182 -15.725
  225   1HB   GLU  33          2HB       GLU  33   0.419  -0.931 -18.137
  226   2HB   GLU  33          1HB       GLU  33   2.021  -0.197 -18.056
  227   1HG   GLU  33          2HG       GLU  33   2.767  -2.289 -18.559
  228   2HG   GLU  33          1HG       GLU  33   2.480  -2.610 -16.848
  229    H    GLN  34           H        GLN  34  -1.164  -1.182 -15.289
  230    HA   GLN  34           HA       GLN  34  -2.050   1.658 -15.236
  231   1HB   GLN  34          2HB       GLN  34  -3.626  -0.600 -16.515
  232   2HB   GLN  34          1HB       GLN  34  -4.173   1.067 -16.334
  233   1HG   GLN  34          2HG       GLN  34  -2.089   1.748 -17.654
  234   2HG   GLN  34          1HG       GLN  34  -1.897   0.038 -18.042
  235   1HE2  GLN  34          1HE2      GLN  34  -3.722  -1.008 -19.255
  236   2HE2  GLN  34          2HE2      GLN  34  -4.728  -0.050 -20.231
  237    H    CYS  35           H        CYS  35  -1.359   0.461 -12.949
  238    HA   CYS  35           HA       CYS  35  -3.990  -0.090 -11.654
  239   1HB   CYS  35          2HB       CYS  35  -1.427  -1.636 -11.301
  240   2HB   CYS  35          1HB       CYS  35  -2.702  -1.672 -10.105
  241    H    PHE  36           H        PHE  36  -0.846   1.362 -11.623
  242    HA   PHE  36           HA       PHE  36  -0.305   2.021  -8.992
  243   1HB   PHE  36          2HB       PHE  36  -0.139   3.673 -11.503
  244   2HB   PHE  36          1HB       PHE  36   0.327   4.349  -9.953
  245    HD1  PHE  36           HD1      PHE  36   0.914   1.393 -12.161
  246    HD2  PHE  36           HD2      PHE  36   2.454   3.937  -9.086
  247    HE1  PHE  36           HE1      PHE  36   3.111   0.257 -12.322
  248    HE2  PHE  36           HE2      PHE  36   4.655   2.807  -9.233
  249    HZ   PHE  36           HZ       PHE  36   4.984   0.962 -10.857
  250    H    VAL  37           H        VAL  37  -2.193   2.214  -7.679
  251    HA   VAL  37           HA       VAL  37  -4.168   4.301  -8.369
  252    HB   VAL  37           HB       VAL  37  -5.053   3.390  -5.993
  253   1HG1  VAL  37          1HG1      VAL  37  -5.393   1.806  -8.555
  254   2HG1  VAL  37          2HG1      VAL  37  -6.162   3.368  -8.280
  255   3HG1  VAL  37          3HG1      VAL  37  -6.560   1.997  -7.247
  256   1HG2  VAL  37          1HG2      VAL  37  -4.493   1.149  -5.577
  257   2HG2  VAL  37          2HG2      VAL  37  -2.942   1.851  -6.023
  258   3HG2  VAL  37          3HG2      VAL  37  -3.849   0.908  -7.199
  259    H    CYS  38           H        CYS  38  -4.969   5.570  -6.339
  260    HA   CYS  38           HA       CYS  38  -2.567   6.888  -5.177
  261   1HB   CYS  38          2HB       CYS  38  -4.205   8.273  -6.441
  262   2HB   CYS  38          1HB       CYS  38  -5.451   7.819  -5.283
  263    H    ALA  39           H        ALA  39  -2.102   6.489  -3.075
  264    HA   ALA  39           HA       ALA  39  -3.477   4.721  -1.394
  265   1HB   ALA  39          1HB       ALA  39  -2.309   6.352   0.441
  266   2HB   ALA  39          2HB       ALA  39  -1.421   6.822  -1.006
  267   3HB   ALA  39          3HB       ALA  39  -1.424   5.139  -0.482
  268    H    GLN  40           H        GLN  40  -4.438   7.893  -2.276
  269    HA   GLN  40           HA       GLN  40  -6.287   8.040   0.074
  270   1HB   GLN  40          2HB       GLN  40  -5.586  10.309  -1.802
  271   2HB   GLN  40          1HB       GLN  40  -6.370  10.413  -0.227
  272   1HG   GLN  40          2HG       GLN  40  -4.383  10.481   0.833
  273   2HG   GLN  40          1HG       GLN  40  -3.841   9.024   0.006
  274   1HE2  GLN  40          1HE2      GLN  40  -2.199  11.425   0.529
  275   2HE2  GLN  40          2HE2      GLN  40  -1.727  12.026  -0.985
  276    H    CYS  41           H        CYS  41  -6.380   9.335  -3.270
  277    HA   CYS  41           HA       CYS  41  -9.261   8.941  -3.399
  278   1HB   CYS  41          2HB       CYS  41  -9.152   9.930  -5.556
  279   2HB   CYS  41          1HB       CYS  41  -7.908  10.745  -4.615
  280    H    PHE  42           H        PHE  42  -6.645   6.856  -3.849
  281    HA   PHE  42           HA       PHE  42  -6.467   4.695  -4.734
  282   1HB   PHE  42          2HB       PHE  42  -9.496   4.720  -4.671
  283   2HB   PHE  42          1HB       PHE  42  -8.436   3.312  -4.619
  284    HD1  PHE  42           HD1      PHE  42 -10.466   5.240  -2.618
  285    HD2  PHE  42           HD2      PHE  42  -6.460   3.687  -2.699
  286    HE1  PHE  42           HE1      PHE  42 -10.347   5.415  -0.147
  287    HE2  PHE  42           HE2      PHE  42  -6.343   3.863  -0.229
  288    HZ   PHE  42           HZ       PHE  42  -8.286   4.727   1.047
  289    H    GLN  43           H        GLN  43  -6.977   7.113  -6.560
  290    HA   GLN  43           HA       GLN  43  -8.327   5.923  -8.879
  291   1HB   GLN  43          2HB       GLN  43  -8.401   8.379  -8.451
  292   2HB   GLN  43          1HB       GLN  43  -6.653   8.452  -8.673
  293   1HG   GLN  43          2HG       GLN  43  -7.845   9.094 -10.743
  294   2HG   GLN  43          1HG       GLN  43  -6.900   7.625 -10.982
  295   1HE2  GLN  43          1HE2      GLN  43  -8.025   5.770 -11.673
  296   2HE2  GLN  43          2HE2      GLN  43  -9.716   5.662 -11.766
  297    H    GLN  44           H        GLN  44  -7.294   4.725 -10.445
  298    HA   GLN  44           HA       GLN  44  -4.571   3.907 -10.068
  299   1HB   GLN  44          2HB       GLN  44  -4.854   2.672 -12.140
  300   2HB   GLN  44          1HB       GLN  44  -6.268   2.473 -11.126
  301   1HG   GLN  44          2HG       GLN  44  -7.596   3.335 -12.729
  302   2HG   GLN  44          1HG       GLN  44  -6.618   4.800 -12.792
  303   1HE2  GLN  44          1HE2      GLN  44  -4.423   4.448 -14.060
  304   2HE2  GLN  44          2HE2      GLN  44  -4.531   3.525 -15.480
  305    H    PHE  45           H        PHE  45  -3.106   3.945 -12.124
  306    HA   PHE  45           HA       PHE  45  -3.177   6.492 -13.596
  307   1HB   PHE  45          2HB       PHE  45  -1.997   6.687 -11.212
  308   2HB   PHE  45          1HB       PHE  45  -0.642   5.989 -12.093
  309    HD1  PHE  45           HD1      PHE  45  -2.547   8.975 -11.451
  310    HD2  PHE  45           HD2      PHE  45   0.094   7.111 -14.273
  311    HE1  PHE  45           HE1      PHE  45  -2.048  11.192 -12.445
  312    HE2  PHE  45           HE2      PHE  45   0.596   9.325 -15.269
  313    HZ   PHE  45           HZ       PHE  45  -0.475  11.366 -14.355
  314    HA   PRO  46           HA       PRO  46  -1.544   3.418 -16.398
  315   1HB   PRO  46          2HB       PRO  46  -1.228   5.415 -18.411
  316   2HB   PRO  46          1HB       PRO  46  -2.534   4.234 -18.264
  317   1HG   PRO  46          2HG       PRO  46  -2.654   7.087 -17.778
  318   2HG   PRO  46          1HG       PRO  46  -3.971   5.909 -17.699
  319   1HD   PRO  46          2HD       PRO  46  -2.647   7.219 -15.503
  320   2HD   PRO  46          1HD       PRO  46  -3.956   6.023 -15.428
  321    H    GLU  47           H        GLU  47   0.354   4.025 -18.316
  322    HA   GLU  47           HA       GLU  47   2.624   4.499 -18.662
  323   1HB   GLU  47          2HB       GLU  47   1.772   6.719 -17.386
  324   2HB   GLU  47          1HB       GLU  47   2.884   6.102 -16.163
  325   1HG   GLU  47          2HG       GLU  47   4.255   7.460 -17.523
  326   2HG   GLU  47          1HG       GLU  47   4.563   5.830 -18.121
  327    H    GLY  48           H        GLY  48   1.357   3.032 -15.886
  328   1HA   GLY  48          2HA       GLY  48   2.251   1.396 -14.465
  329   2HA   GLY  48          1HA       GLY  48   3.612   1.285 -15.583
  330    H    LEU  49           H        LEU  49   2.793   4.359 -14.177
  331    HA   LEU  49           HA       LEU  49   4.429   4.221 -11.833
  332   1HB   LEU  49          2HB       LEU  49   6.168   4.000 -13.718
  333   2HB   LEU  49          1HB       LEU  49   5.785   5.674 -14.115
  334    HG   LEU  49           HG       LEU  49   6.290   5.173 -11.243
  335   1HD1  LEU  49          1HD1      LEU  49   8.733   5.059 -11.521
  336   2HD1  LEU  49          2HD1      LEU  49   8.539   4.990 -13.272
  337   3HD1  LEU  49          3HD1      LEU  49   7.959   3.661 -12.268
  338   1HD2  LEU  49          1HD2      LEU  49   7.440   7.294 -11.426
  339   2HD2  LEU  49          2HD2      LEU  49   5.950   7.419 -12.361
  340   3HD2  LEU  49          3HD2      LEU  49   7.489   7.173 -13.185
  341    H    PHE  50           H        PHE  50   4.308   6.158 -10.674
  342    HA   PHE  50           HA       PHE  50   3.448   8.631 -11.937
  343   1HB   PHE  50          2HB       PHE  50   1.288   8.846 -10.888
  344   2HB   PHE  50          1HB       PHE  50   1.307   7.330 -11.774
  345    HD1  PHE  50           HD1      PHE  50   3.308   6.364  -9.212
  346    HD2  PHE  50           HD2      PHE  50  -0.735   7.690  -9.803
  347    HE1  PHE  50           HE1      PHE  50   2.605   5.182  -7.153
  348    HE2  PHE  50           HE2      PHE  50  -1.420   6.512  -7.737
  349    HZ   PHE  50           HZ       PHE  50   0.254   5.259  -6.415
  350    H    TYR  51           H        TYR  51   2.195   9.208  -9.076
  351    HA   TYR  51           HA       TYR  51   4.807  10.033  -7.970
  352   1HB   TYR  51          2HB       TYR  51   2.057  10.972  -7.775
  353   2HB   TYR  51          1HB       TYR  51   2.808  10.833  -6.185
  354    HD1  TYR  51           HD1      TYR  51   5.328  11.691  -6.076
  355    HD2  TYR  51           HD2      TYR  51   2.426  12.934  -8.987
  356    HE1  TYR  51           HE1      TYR  51   6.642  13.747  -6.504
  357    HE2  TYR  51           HE2      TYR  51   3.739  14.996  -9.416
  358    HH   TYR  51           HH       TYR  51   6.192  15.691  -9.168
  359    H    GLU  52           H        GLU  52   4.670   7.331  -7.909
  360    HA   GLU  52           HA       GLU  52   3.512   6.240  -5.512
  361   1HB   GLU  52          2HB       GLU  52   4.465   4.229  -6.174
  362   2HB   GLU  52          1HB       GLU  52   4.492   5.088  -7.710
  363   1HG   GLU  52          2HG       GLU  52   6.817   5.032  -5.763
  364   2HG   GLU  52          1HG       GLU  52   6.671   3.986  -7.172
  365    H    PHE  53           H        PHE  53   4.906   5.355  -3.673
  366    HA   PHE  53           HA       PHE  53   7.440   6.801  -3.215
  367   1HB   PHE  53          2HB       PHE  53   4.980   7.873  -2.268
  368   2HB   PHE  53          1HB       PHE  53   5.817   7.207  -0.866
  369    HD1  PHE  53           HD1      PHE  53   8.114   7.975  -0.289
  370    HD2  PHE  53           HD2      PHE  53   5.836   9.799  -3.446
  371    HE1  PHE  53           HE1      PHE  53   9.646   9.925  -0.271
  372    HE2  PHE  53           HE2      PHE  53   7.370  11.747  -3.426
  373    HZ   PHE  53           HZ       PHE  53   9.274  11.811  -1.839
  374    H    GLU  54           H        GLU  54   8.727   5.734  -1.668
  375    HA   GLU  54           HA       GLU  54   8.217   2.984  -1.177
  376   1HB   GLU  54          2HB       GLU  54   9.988   3.365   0.717
  377   2HB   GLU  54          1HB       GLU  54  10.473   3.591  -0.962
  378   1HG   GLU  54          2HG       GLU  54  10.467   5.929  -0.791
  379   2HG   GLU  54          1HG       GLU  54   9.395   5.921   0.609
  380    H    GLY  55           H        GLY  55   6.680   2.128   0.103
  381   1HA   GLY  55          2HA       GLY  55   5.550   1.717   2.161
  382   2HA   GLY  55          1HA       GLY  55   6.218   3.218   2.802
  383    H    ARG  56           H        ARG  56   5.171   4.237  -0.066
  384    HA   ARG  56           HA       ARG  56   2.294   4.467   0.661
  385   1HB   ARG  56          2HB       ARG  56   3.800   6.936  -0.172
  386   2HB   ARG  56          1HB       ARG  56   2.261   6.810   0.675
  387   1HG   ARG  56          2HG       ARG  56   3.444   5.934   2.672
  388   2HG   ARG  56          1HG       ARG  56   4.982   6.114   1.824
  389   1HD   ARG  56          2HD       ARG  56   3.050   8.395   2.312
  390   2HD   ARG  56          1HD       ARG  56   4.432   8.042   3.345
  391    HE   ARG  56           HE       ARG  56   5.544   8.226   0.817
  392   1HH1  ARG  56          1HH2      ARG  56   3.493  10.198   2.775
  393   2HH1  ARG  56          2HH2      ARG  56   4.079  11.687   2.114
  394   1HH2  ARG  56          2HH1      ARG  56   6.310  10.160  -0.051
  395   2HH2  ARG  56          1HH1      ARG  56   5.670  11.666   0.517
  396    H    LYS  57           H        LYS  57   1.413   6.151  -1.261
  397    HA   LYS  57           HA       LYS  57   2.584   5.760  -3.864
  398   1HB   LYS  57          2HB       LYS  57   0.597   4.284  -4.643
  399   2HB   LYS  57          1HB       LYS  57   1.930   3.500  -3.798
  400   1HG   LYS  57          2HG       LYS  57   0.718   3.337  -1.776
  401   2HG   LYS  57          1HG       LYS  57  -0.450   4.559  -2.280
  402   1HD   LYS  57          2HD       LYS  57  -0.146   1.809  -3.497
  403   2HD   LYS  57          1HD       LYS  57  -1.442   2.313  -2.411
  404   1HE   LYS  57          2HE       LYS  57  -2.557   2.901  -4.298
  405   2HE   LYS  57          1HE       LYS  57  -1.471   4.282  -4.336
  406   1HZ   LYS  57          1HZ       LYS  57   0.114   2.756  -5.560
  407   2HZ   LYS  57          2HZ       LYS  57  -1.252   3.285  -6.420
  408   3HZ   LYS  57          3HZ       LYS  57  -1.205   1.714  -5.776
  409    H    TYR  58           H        TYR  58   1.889   7.589  -4.899
  410    HA   TYR  58           HA       TYR  58  -0.973   8.377  -4.599
  411   1HB   TYR  58          2HB       TYR  58   1.298  10.369  -4.426
  412   2HB   TYR  58          1HB       TYR  58  -0.416  10.684  -4.164
  413    HD1  TYR  58           HD1      TYR  58   2.692   9.658  -2.668
  414    HD2  TYR  58           HD2      TYR  58  -1.575   9.498  -2.209
  415    HE1  TYR  58           HE1      TYR  58   2.977   9.130  -0.271
  416    HE2  TYR  58           HE2      TYR  58  -1.294   8.961   0.197
  417    HH   TYR  58           HH       TYR  58   0.145   8.746   1.870
  418    H    CYS  59           H        CYS  59  -1.697   9.817  -6.293
  419    HA   CYS  59           HA       CYS  59  -0.128   9.480  -8.805
  420   1HB   CYS  59          2HB       CYS  59  -2.348  10.229  -9.855
  421   2HB   CYS  59          1HB       CYS  59  -2.352   8.639  -9.089
  422    H    GLU  60           H        GLU  60  -0.783  11.543 -10.322
  423    HA   GLU  60           HA       GLU  60   0.501  13.796  -9.033
  424   1HB   GLU  60          2HB       GLU  60   0.127  13.021 -11.647
  425   2HB   GLU  60          1HB       GLU  60  -1.035  14.340 -11.501
  426   1HG   GLU  60          2HG       GLU  60   0.648  15.821 -11.687
  427   2HG   GLU  60          1HG       GLU  60   1.355  15.186 -10.202
  428    H    HIS  61           H        HIS  61  -2.404  12.653  -8.318
  429    HA   HIS  61           HA       HIS  61  -3.971  15.118  -8.593
  430   1HB   HIS  61          2HB       HIS  61  -5.603  13.550  -8.592
  431   2HB   HIS  61          1HB       HIS  61  -4.507  12.322  -7.979
  432    HD2  HIS  61           HD2      HIS  61  -6.290  15.429  -6.197
  433    HE1  HIS  61           HE1      HIS  61  -6.512  12.050  -3.678
  434    HE2  HIS  61           HE2      HIS  61  -7.117  14.504  -3.902
  435    H    ASP  62           H        ASP  62  -3.417  13.186  -5.621
  436    HA   ASP  62           HA       ASP  62  -3.744  15.446  -3.899
  437   1HB   ASP  62          2HB       ASP  62  -3.186  12.652  -3.610
  438   2HB   ASP  62          1HB       ASP  62  -1.993  13.550  -2.678
  439    H    PHE  63           H        PHE  63  -0.958  14.018  -5.468
  440    HA   PHE  63           HA       PHE  63   0.984  15.584  -4.032
  441   1HB   PHE  63          2HB       PHE  63   0.966  13.584  -6.178
  442   2HB   PHE  63          1HB       PHE  63   2.301  14.724  -6.231
  443    HD1  PHE  63           HD1      PHE  63   0.307  13.003  -3.566
  444    HD2  PHE  63           HD2      PHE  63   4.185  14.024  -5.061
  445    HE1  PHE  63           HE1      PHE  63   1.344  11.876  -1.622
  446    HE2  PHE  63           HE2      PHE  63   5.228  12.869  -3.132
  447    HZ   PHE  63           HZ       PHE  63   3.813  11.803  -1.407
  448    H    GLN  64           H        GLN  64  -0.688  16.099  -7.192
  449    HA   GLN  64           HA       GLN  64   1.047  18.346  -7.830
  450   1HB   GLN  64          2HB       GLN  64  -0.471  18.911  -9.575
  451   2HB   GLN  64          1HB       GLN  64  -0.494  17.156  -9.500
  452   1HG   GLN  64          2HG       GLN  64  -2.772  17.528  -9.494
  453   2HG   GLN  64          1HG       GLN  64  -2.484  17.662  -7.763
  454   1HE2  GLN  64          1HE2      GLN  64  -2.071  19.895 -10.579
  455   2HE2  GLN  64          2HE2      GLN  64  -2.862  21.201  -9.837
  456    H    MET  65           H        MET  65  -1.691  17.848  -5.789
  457    HA   MET  65           HA       MET  65  -2.517  20.581  -5.454
  458   1HB   MET  65          2HB       MET  65  -3.642  18.344  -4.629
  459   2HB   MET  65          1HB       MET  65  -2.614  18.565  -3.213
  460   1HG   MET  65          2HG       MET  65  -4.292  20.850  -4.226
  461   2HG   MET  65          1HG       MET  65  -5.013  19.606  -3.204
  462   1HE   MET  65          1HE       MET  65  -4.630  22.830  -2.639
  463   2HE   MET  65          2HE       MET  65  -3.095  22.743  -3.498
  464   3HE   MET  65          3HE       MET  65  -3.125  23.262  -1.815
  465    H    LEU  66           H        LEU  66  -0.134  18.496  -3.856
  466    HA   LEU  66           HA       LEU  66   0.770  20.515  -1.969
  467   1HB   LEU  66          2HB       LEU  66   2.572  18.329  -2.993
  468   2HB   LEU  66          1HB       LEU  66   2.432  18.974  -1.359
  469    HG   LEU  66           HG       LEU  66   0.424  17.210  -2.778
  470   1HD1  LEU  66          1HD1      LEU  66   2.467  16.077  -1.916
  471   2HD1  LEU  66          2HD1      LEU  66   1.009  15.572  -1.062
  472   3HD1  LEU  66          3HD1      LEU  66   2.116  16.721  -0.311
  473   1HD2  LEU  66          1HD2      LEU  66  -0.626  17.233  -0.411
  474   2HD2  LEU  66          2HD2      LEU  66  -0.877  18.658  -1.417
  475   3HD2  LEU  66          3HD2      LEU  66   0.339  18.683  -0.140
  476    H    PHE  67           H        PHE  67   1.192  19.875  -5.297
  477    HA   PHE  67           HA       PHE  67   2.292  21.064  -6.969
  478   1HB   PHE  67          2HB       PHE  67   1.961  22.956  -4.970
  479   2HB   PHE  67          1HB       PHE  67   3.702  22.983  -5.245
  480    HD1  PHE  67           HD1      PHE  67   0.422  23.783  -6.614
  481    HD2  PHE  67           HD2      PHE  67   4.597  23.399  -7.551
  482    HE1  PHE  67           HE1      PHE  67   0.073  25.074  -8.702
  483    HE2  PHE  67           HE2      PHE  67   4.246  24.690  -9.639
  484    HZ   PHE  67           HZ       PHE  67   1.984  25.528 -10.214
  485    H    ALA  68           H        ALA  68   3.578  19.106  -4.846
  486    HA   ALA  68           HA       ALA  68   5.671  18.096  -4.522
  487   1HB   ALA  68          1HB       ALA  68   6.218  19.200  -7.293
  488   2HB   ALA  68          2HB       ALA  68   5.289  17.735  -6.980
  489   3HB   ALA  68          3HB       ALA  68   6.993  17.809  -6.534
  490    HA   PRO  69           HA       PRO  69   7.480  22.234  -3.398
  491   1HB   PRO  69          2HB       PRO  69   7.972  21.133  -0.788
  492   2HB   PRO  69          1HB       PRO  69   6.823  22.401  -1.232
  493   1HG   PRO  69          2HG       PRO  69   6.234  19.680  -0.473
  494   2HG   PRO  69          1HG       PRO  69   5.090  20.957  -0.906
  495   1HD   PRO  69          2HD       PRO  69   5.834  18.647  -2.465
  496   2HD   PRO  69          1HD       PRO  69   4.683  19.927  -2.894
  497    H    CYS  70           H        CYS  70   9.368  21.878  -4.633
  498    HA   CYS  70           HA       CYS  70  11.247  19.743  -3.954
  499   1HB   CYS  70          2HB       CYS  70  11.547  22.123  -5.814
  500   2HB   CYS  70          1HB       CYS  70  12.650  20.750  -5.722
  501    HG   CYS  70           HG       CYS  70   9.723  19.995  -6.315
  Start of MODEL   22
    1    H    MET   1           1H       MET   1   8.433 -23.280   3.005
    2    HA   MET   1           HA       MET   1   8.710 -25.529   1.914
    3   1HB   MET   1          2HB       MET   1   7.146 -24.892   0.063
    4   2HB   MET   1          1HB       MET   1   6.681 -24.213   1.622
    5   1HG   MET   1          2HG       MET   1   8.429 -22.638  -0.260
    6   2HG   MET   1          1HG       MET   1   6.679 -22.651  -0.468
    7   1HE   MET   1          1HE       MET   1   8.164 -20.055  -0.098
    8   2HE   MET   1          2HE       MET   1   9.463 -20.756   0.864
    9   3HE   MET   1          3HE       MET   1   8.478 -19.460   1.538
   10    H    ALA   2           H        ALA   2   9.085 -26.430  -0.316
   11    HA   ALA   2           HA       ALA   2  11.726 -25.666  -1.263
   12   1HB   ALA   2          1HB       ALA   2  11.059 -28.009  -1.320
   13   2HB   ALA   2          2HB       ALA   2  11.321 -27.454  -2.974
   14   3HB   ALA   2          3HB       ALA   2   9.681 -27.626  -2.351
   15    H    ASN   3           H        ASN   3  11.586 -23.556  -2.096
   16    HA   ASN   3           HA       ASN   3  11.229 -21.935  -3.750
   17   1HB   ASN   3          2HB       ASN   3  11.664 -24.174  -5.149
   18   2HB   ASN   3          1HB       ASN   3   9.974 -23.930  -5.591
   19   1HD2  ASN   3          1HD2      ASN   3  13.228 -22.711  -6.027
   20   2HD2  ASN   3          2HD2      ASN   3  12.827 -21.472  -7.115
   21    H    ALA   4           H        ALA   4   9.208 -21.424  -5.493
   22    HA   ALA   4           HA       ALA   4   6.607 -22.015  -4.255
   23   1HB   ALA   4          1HB       ALA   4   7.750 -19.203  -4.284
   24   2HB   ALA   4          2HB       ALA   4   7.366 -20.159  -2.853
   25   3HB   ALA   4          3HB       ALA   4   6.072 -19.600  -3.913
   26    H    LEU   5           H        LEU   5   4.903 -21.646  -5.710
   27    HA   LEU   5           HA       LEU   5   5.673 -21.352  -8.510
   28   1HB   LEU   5          2HB       LEU   5   3.219 -21.628  -8.924
   29   2HB   LEU   5          1HB       LEU   5   3.903 -22.918  -7.938
   30    HG   LEU   5           HG       LEU   5   3.073 -20.776  -6.206
   31   1HD1  LEU   5          1HD1      LEU   5   1.533 -20.138  -8.014
   32   2HD1  LEU   5          2HD1      LEU   5   0.640 -20.840  -6.665
   33   3HD1  LEU   5          3HD1      LEU   5   0.945 -21.798  -8.114
   34   1HD2  LEU   5          1HD2      LEU   5   3.315 -23.160  -5.591
   35   2HD2  LEU   5          2HD2      LEU   5   1.975 -23.572  -6.660
   36   3HD2  LEU   5          3HD2      LEU   5   1.689 -22.577  -5.232
   37    H    ALA   6           H        ALA   6   4.712 -19.722  -9.946
   38    HA   ALA   6           HA       ALA   6   4.312 -17.489 -10.533
   39   1HB   ALA   6          1HB       ALA   6   2.866 -17.190  -7.902
   40   2HB   ALA   6          2HB       ALA   6   2.181 -18.157  -9.207
   41   3HB   ALA   6          3HB       ALA   6   2.495 -16.439  -9.454
   42    H    SER   7           H        SER   7   3.992 -15.276  -8.613
   43    HA   SER   7           HA       SER   7   6.573 -15.233  -7.166
   44   1HB   SER   7          2HB       SER   7   7.151 -13.031  -8.233
   45   2HB   SER   7          1HB       SER   7   7.213 -14.393  -9.348
   46    HG   SER   7           HG       SER   7   5.201 -13.792 -10.133
   47    H    ALA   8           H        ALA   8   4.038 -12.961  -8.213
   48    HA   ALA   8           HA       ALA   8   3.016 -12.636  -5.511
   49   1HB   ALA   8          1HB       ALA   8   3.623 -10.134  -5.478
   50   2HB   ALA   8          2HB       ALA   8   4.820 -10.526  -6.713
   51   3HB   ALA   8          3HB       ALA   8   4.924 -11.267  -5.116
   52    H    THR   9           H        THR   9   1.581 -10.425  -5.609
   53    HA   THR   9           HA       THR   9   0.205 -10.438  -8.269
   54    HB   THR   9           HB       THR   9  -1.913 -10.007  -6.931
   55    HG1  THR   9           HG1      THR   9  -0.512 -11.086  -4.757
   56   1HG2  THR   9          1HG2      THR   9  -0.363 -12.582  -6.716
   57   2HG2  THR   9          2HG2      THR   9  -1.704 -12.192  -7.792
   58   3HG2  THR   9          3HG2      THR   9  -1.998 -12.443  -6.072
   59    H    CYS  10           H        CYS  10  -0.974  -8.400  -8.728
   60    HA   CYS  10           HA       CYS  10   0.655  -6.091  -8.149
   61   1HB   CYS  10          2HB       CYS  10  -0.394  -5.911 -10.200
   62   2HB   CYS  10          1HB       CYS  10  -1.901  -6.580  -9.604
   63    H    GLU  11           H        GLU  11  -0.197  -4.063  -7.168
   64    HA   GLU  11           HA       GLU  11  -1.208  -4.614  -4.513
   65   1HB   GLU  11          2HB       GLU  11   0.380  -2.837  -4.793
   66   2HB   GLU  11          1HB       GLU  11  -0.617  -2.053  -6.010
   67   1HG   GLU  11          2HG       GLU  11  -0.868  -0.884  -3.874
   68   2HG   GLU  11          1HG       GLU  11  -2.380  -1.697  -4.269
   69    H    ARG  12           H        ARG  12  -2.506  -2.395  -6.992
   70    HA   ARG  12           HA       ARG  12  -5.060  -2.185  -5.700
   71   1HB   ARG  12          2HB       ARG  12  -3.977  -0.535  -7.321
   72   2HB   ARG  12          1HB       ARG  12  -4.516  -1.607  -8.611
   73   1HG   ARG  12          2HG       ARG  12  -6.774  -1.346  -7.021
   74   2HG   ARG  12          1HG       ARG  12  -6.066   0.266  -6.984
   75   1HD   ARG  12          2HD       ARG  12  -7.601   0.073  -8.891
   76   2HD   ARG  12          1HD       ARG  12  -5.944   0.254  -9.466
   77    HE   ARG  12           HE       ARG  12  -6.333  -2.501  -9.308
   78   1HH1  ARG  12          1HH2      ARG  12  -7.870   0.185 -10.839
   79   2HH1  ARG  12          2HH2      ARG  12  -8.457  -0.748 -12.174
   80   1HH2  ARG  12          2HH1      ARG  12  -7.090  -3.722 -11.043
   81   2HH2  ARG  12          1HH1      ARG  12  -8.016  -2.955 -12.290
   82    H    CYS  13           H        CYS  13  -4.075  -3.948  -8.656
   83    HA   CYS  13           HA       CYS  13  -6.761  -5.152  -8.801
   84   1HB   CYS  13          2HB       CYS  13  -6.300  -5.506 -10.990
   85   2HB   CYS  13          1HB       CYS  13  -4.987  -4.368 -10.711
   86    H    LYS  14           H        LYS  14  -3.595  -6.080  -7.631
   87    HA   LYS  14           HA       LYS  14  -2.868  -8.105  -6.679
   88   1HB   LYS  14          2HB       LYS  14  -5.627  -7.783  -5.970
   89   2HB   LYS  14          1HB       LYS  14  -5.331  -9.487  -6.301
   90   1HG   LYS  14          2HG       LYS  14  -4.848  -9.130  -3.971
   91   2HG   LYS  14          1HG       LYS  14  -3.303  -9.336  -4.796
   92   1HD   LYS  14          2HD       LYS  14  -2.643  -7.330  -4.019
   93   2HD   LYS  14          1HD       LYS  14  -3.946  -6.569  -4.930
   94   1HE   LYS  14          2HE       LYS  14  -5.491  -6.907  -3.060
   95   2HE   LYS  14          1HE       LYS  14  -4.235  -7.748  -2.150
   96   1HZ   LYS  14          1HZ       LYS  14  -4.317  -5.495  -1.417
   97   2HZ   LYS  14          2HZ       LYS  14  -4.223  -4.905  -3.008
   98   3HZ   LYS  14          3HZ       LYS  14  -2.889  -5.692  -2.310
   99    H    GLY  15           H        GLY  15  -2.908  -7.972  -9.478
  100   1HA   GLY  15          2HA       GLY  15  -4.019 -10.557 -10.401
  101   2HA   GLY  15          1HA       GLY  15  -3.283  -9.327 -11.428
  102    H    GLY  16           H        GLY  16  -2.770 -12.354 -10.310
  103   1HA   GLY  16          2HA       GLY  16  -0.096 -12.380  -9.369
  104   2HA   GLY  16          1HA       GLY  16  -0.863 -13.721 -10.224
  105    H    PHE  17           H        PHE  17   1.346 -11.097 -10.483
  106    HA   PHE  17           HA       PHE  17   1.607 -11.552 -13.420
  107   1HB   PHE  17          2HB       PHE  17   3.074  -9.406 -13.219
  108   2HB   PHE  17          1HB       PHE  17   1.328  -9.246 -13.150
  109    HD1  PHE  17           HD1      PHE  17   1.531  -7.076 -11.968
  110    HD2  PHE  17           HD2      PHE  17   3.110 -10.698 -10.268
  111    HE1  PHE  17           HE1      PHE  17   1.748  -5.958  -9.770
  112    HE2  PHE  17           HE2      PHE  17   3.320  -9.576  -8.084
  113    HZ   PHE  17           HZ       PHE  17   2.637  -7.217  -7.831
  114    H    ALA  18           H        ALA  18   4.155 -10.876 -13.935
  115    HA   ALA  18           HA       ALA  18   6.128 -11.848 -12.119
  116   1HB   ALA  18          1HB       ALA  18   6.364 -13.941 -13.984
  117   2HB   ALA  18          2HB       ALA  18   4.654 -13.898 -13.551
  118   3HB   ALA  18          3HB       ALA  18   5.877 -14.079 -12.295
  119    HA   PRO  19           HA       PRO  19   7.998 -11.567 -16.591
  120   1HB   PRO  19          2HB       PRO  19   5.965 -10.565 -18.359
  121   2HB   PRO  19          1HB       PRO  19   6.807 -12.118 -18.443
  122   1HG   PRO  19          2HG       PRO  19   4.068 -11.636 -17.670
  123   2HG   PRO  19          1HG       PRO  19   4.911 -13.187 -17.772
  124   1HD   PRO  19          2HD       PRO  19   4.124 -11.764 -15.399
  125   2HD   PRO  19          1HD       PRO  19   4.981 -13.314 -15.505
  126    H    ALA  20           H        ALA  20   8.938  -9.598 -17.357
  127    HA   ALA  20           HA       ALA  20   8.456  -7.246 -15.816
  128   1HB   ALA  20          1HB       ALA  20   9.845  -7.513 -18.500
  129   2HB   ALA  20          2HB       ALA  20  10.610  -7.707 -16.924
  130   3HB   ALA  20          3HB       ALA  20   9.981  -6.133 -17.410
  131    H    GLU  21           H        GLU  21   6.798  -8.486 -18.547
  132    HA   GLU  21           HA       GLU  21   5.837  -5.899 -19.531
  133   1HB   GLU  21          2HB       GLU  21   6.105  -8.069 -20.901
  134   2HB   GLU  21          1HB       GLU  21   4.617  -8.604 -20.119
  135   1HG   GLU  21          2HG       GLU  21   4.229  -5.920 -21.055
  136   2HG   GLU  21          1HG       GLU  21   4.889  -6.881 -22.378
  137    H    LYS  22           H        LYS  22   4.979  -8.146 -17.070
  138    HA   LYS  22           HA       LYS  22   2.353  -6.760 -16.696
  139   1HB   LYS  22          2HB       LYS  22   3.209  -9.602 -16.112
  140   2HB   LYS  22          1HB       LYS  22   1.781  -8.888 -15.363
  141   1HG   LYS  22          2HG       LYS  22   2.150  -8.762 -18.351
  142   2HG   LYS  22          1HG       LYS  22   1.494 -10.213 -17.595
  143   1HD   LYS  22          2HD       LYS  22  -0.526  -9.230 -17.478
  144   2HD   LYS  22          1HD       LYS  22   0.154  -7.983 -16.432
  145   1HE   LYS  22          2HE       LYS  22  -0.738  -6.791 -18.280
  146   2HE   LYS  22          1HE       LYS  22   0.995  -6.870 -18.594
  147   1HZ   LYS  22          1HZ       LYS  22   0.531  -7.858 -20.502
  148   2HZ   LYS  22          2HZ       LYS  22  -1.129  -7.903 -20.135
  149   3HZ   LYS  22          3HZ       LYS  22  -0.113  -9.178 -19.651
  150    H    ILE  23           H        ILE  23   5.200  -8.135 -15.088
  151    HA   ILE  23           HA       ILE  23   4.420  -7.118 -12.467
  152    HB   ILE  23           HB       ILE  23   6.440  -8.881 -13.548
  153   1HG1  ILE  23          2HG1      ILE  23   4.782  -9.351 -11.732
  154   2HG1  ILE  23          1HG1      ILE  23   6.436  -9.759 -11.286
  155   1HG2  ILE  23          1HG2      ILE  23   8.257  -8.235 -11.897
  156   2HG2  ILE  23          2HG2      ILE  23   7.442  -6.682 -11.722
  157   3HG2  ILE  23          3HG2      ILE  23   8.094  -7.166 -13.289
  158   1HD1  ILE  23          1HD1      ILE  23   5.510  -8.595  -9.412
  159   2HD1  ILE  23          2HD1      ILE  23   4.843  -7.328 -10.440
  160   3HD1  ILE  23          3HD1      ILE  23   6.587  -7.452 -10.210
  161    H    VAL  24           H        VAL  24   4.700  -5.058 -11.803
  162    HA   VAL  24           HA       VAL  24   6.952  -3.469 -12.942
  163    HB   VAL  24           HB       VAL  24   4.286  -2.150 -12.463
  164   1HG1  VAL  24          1HG1      VAL  24   5.175  -0.546 -14.085
  165   2HG1  VAL  24          2HG1      VAL  24   6.581  -1.572 -14.359
  166   3HG1  VAL  24          3HG1      VAL  24   6.344  -0.803 -12.790
  167   1HG2  VAL  24          1HG2      VAL  24   5.159  -3.591 -14.993
  168   2HG2  VAL  24          2HG2      VAL  24   3.828  -2.436 -14.925
  169   3HG2  VAL  24          3HG2      VAL  24   3.732  -3.943 -14.017
  170    H    ASN  25           H        ASN  25   8.144  -3.216 -11.089
  171    HA   ASN  25           HA       ASN  25   6.690  -2.593  -8.565
  172   1HB   ASN  25          2HB       ASN  25   8.167  -4.341  -8.110
  173   2HB   ASN  25          1HB       ASN  25   9.417  -3.709  -9.180
  174   1HD2  ASN  25          1HD2      ASN  25  10.791  -1.976  -8.355
  175   2HD2  ASN  25          2HD2      ASN  25  10.821  -1.574  -6.707
  176    H    SER  26           H        SER  26   7.315  -0.747  -7.335
  177    HA   SER  26           HA       SER  26   9.208   1.159  -8.542
  178   1HB   SER  26          2HB       SER  26   7.667   2.838  -9.059
  179   2HB   SER  26          1HB       SER  26   6.781   1.389  -9.540
  180    HG   SER  26           HG       SER  26   5.353   2.261  -8.230
  181    H    ASN  27           H        ASN  27  10.309   2.064  -6.908
  182    HA   ASN  27           HA       ASN  27  10.877   2.871  -4.801
  183   1HB   ASN  27          2HB       ASN  27   7.868   3.030  -4.504
  184   2HB   ASN  27          1HB       ASN  27   9.003   3.627  -3.297
  185   1HD2  ASN  27          1HD2      ASN  27   8.574   5.891  -3.588
  186   2HD2  ASN  27          2HD2      ASN  27   8.920   6.710  -5.033
  187    H    GLY  28           H        GLY  28   8.253   0.470  -4.651
  188   1HA   GLY  28          2HA       GLY  28   9.761  -1.513  -3.341
  189   2HA   GLY  28          1HA       GLY  28   8.994  -0.561  -2.072
  190    H    GLU  29           H        GLU  29   6.669  -0.027  -3.979
  191    HA   GLU  29           HA       GLU  29   5.175  -2.475  -3.261
  192   1HB   GLU  29          2HB       GLU  29   4.522   0.255  -3.473
  193   2HB   GLU  29          1HB       GLU  29   3.662  -0.536  -4.792
  194   1HG   GLU  29          2HG       GLU  29   2.816  -2.227  -3.130
  195   2HG   GLU  29          1HG       GLU  29   3.525  -1.240  -1.852
  196    H    LEU  30           H        LEU  30   3.534  -3.220  -5.041
  197    HA   LEU  30           HA       LEU  30   5.009  -3.419  -7.642
  198   1HB   LEU  30          2HB       LEU  30   3.655  -5.432  -5.930
  199   2HB   LEU  30          1HB       LEU  30   3.381  -5.577  -7.664
  200    HG   LEU  30           HG       LEU  30   5.767  -5.668  -8.096
  201   1HD1  LEU  30          1HD1      LEU  30   5.935  -5.004  -5.161
  202   2HD1  LEU  30          2HD1      LEU  30   6.777  -4.252  -6.515
  203   3HD1  LEU  30          3HD1      LEU  30   7.259  -5.852  -5.958
  204   1HD2  LEU  30          1HD2      LEU  30   4.821  -7.489  -5.866
  205   2HD2  LEU  30          2HD2      LEU  30   6.338  -7.738  -6.730
  206   3HD2  LEU  30          3HD2      LEU  30   4.806  -7.814  -7.599
  207    H    TYR  31           H        TYR  31   3.809  -3.156  -9.528
  208    HA   TYR  31           HA       TYR  31   0.874  -2.761  -9.334
  209   1HB   TYR  31          2HB       TYR  31   2.409  -0.695 -10.864
  210   2HB   TYR  31          1HB       TYR  31   0.837  -0.552 -10.088
  211    HD1  TYR  31           HD1      TYR  31   4.464  -1.060  -9.230
  212    HD2  TYR  31           HD2      TYR  31   0.683   0.618  -8.074
  213    HE1  TYR  31           HE1      TYR  31   5.544   0.028  -7.293
  214    HE2  TYR  31           HE2      TYR  31   1.767   1.712  -6.131
  215    HH   TYR  31           HH       TYR  31   5.207   1.844  -5.785
  216    H    HIS  32           H        HIS  32   0.061  -2.265 -11.649
  217    HA   HIS  32           HA       HIS  32   1.467  -4.057 -13.586
  218   1HB   HIS  32          2HB       HIS  32  -1.410  -3.451 -13.014
  219   2HB   HIS  32          1HB       HIS  32  -0.965  -3.775 -14.684
  220    HD2  HIS  32           HD2      HIS  32   0.633  -6.382 -14.802
  221    HE1  HIS  32           HE1      HIS  32  -1.711  -7.966 -11.671
  222    HE2  HIS  32           HE2      HIS  32  -0.109  -8.549 -13.549
  223    H    GLU  33           H        GLU  33   0.666  -3.257 -15.949
  224    HA   GLU  33           HA       GLU  33   1.698  -0.538 -16.207
  225   1HB   GLU  33          2HB       GLU  33   0.319  -1.813 -18.523
  226   2HB   GLU  33          1HB       GLU  33   1.886  -1.005 -18.457
  227   1HG   GLU  33          2HG       GLU  33   2.682  -3.144 -18.659
  228   2HG   GLU  33          1HG       GLU  33   2.423  -3.166 -16.915
  229    H    GLN  34           H        GLN  34  -1.179  -1.762 -15.259
  230    HA   GLN  34           HA       GLN  34  -2.585   0.760 -15.864
  231   1HB   GLN  34          2HB       GLN  34  -3.569  -1.971 -16.732
  232   2HB   GLN  34          1HB       GLN  34  -4.642  -0.581 -16.567
  233   1HG   GLN  34          2HG       GLN  34  -3.006   0.663 -18.113
  234   2HG   GLN  34          1HG       GLN  34  -2.317  -0.922 -18.467
  235   1HE2  GLN  34          1HE2      GLN  34  -3.745  -2.528 -19.529
  236   2HE2  GLN  34          2HE2      GLN  34  -5.123  -2.016 -20.378
  237    H    CYS  35           H        CYS  35  -1.630   0.125 -13.422
  238    HA   CYS  35           HA       CYS  35  -4.119  -0.369 -11.892
  239   1HB   CYS  35          2HB       CYS  35  -1.558  -1.934 -11.562
  240   2HB   CYS  35          1HB       CYS  35  -2.775  -1.840 -10.292
  241    H    PHE  36           H        PHE  36  -1.338   1.422 -12.436
  242    HA   PHE  36           HA       PHE  36  -0.446   2.222  -9.861
  243   1HB   PHE  36          2HB       PHE  36  -0.661   3.642 -12.516
  244   2HB   PHE  36          1HB       PHE  36  -0.090   4.493 -11.092
  245    HD1  PHE  36           HD1      PHE  36   0.464   1.049 -12.521
  246    HD2  PHE  36           HD2      PHE  36   2.217   4.676 -11.041
  247    HE1  PHE  36           HE1      PHE  36   2.728   0.095 -12.856
  248    HE2  PHE  36           HE2      PHE  36   4.479   3.721 -11.370
  249    HZ   PHE  36           HZ       PHE  36   4.734   1.430 -12.279
  250    H    VAL  37           H        VAL  37  -1.849   2.867  -8.229
  251    HA   VAL  37           HA       VAL  37  -3.976   4.840  -8.966
  252    HB   VAL  37           HB       VAL  37  -5.006   3.627  -6.729
  253   1HG1  VAL  37          1HG1      VAL  37  -6.136   4.250  -8.884
  254   2HG1  VAL  37          2HG1      VAL  37  -6.655   2.698  -8.231
  255   3HG1  VAL  37          3HG1      VAL  37  -5.523   2.753  -9.582
  256   1HG2  VAL  37          1HG2      VAL  37  -4.499   1.220  -8.320
  257   2HG2  VAL  37          2HG2      VAL  37  -4.456   1.440  -6.573
  258   3HG2  VAL  37          3HG2      VAL  37  -3.048   1.845  -7.547
  259    H    CYS  38           H        CYS  38  -4.805   6.004  -6.979
  260    HA   CYS  38           HA       CYS  38  -2.478   6.944  -5.395
  261   1HB   CYS  38          2HB       CYS  38  -3.916   8.568  -6.646
  262   2HB   CYS  38          1HB       CYS  38  -5.279   8.094  -5.643
  263    H    ALA  39           H        ALA  39  -2.237   6.167  -3.353
  264    HA   ALA  39           HA       ALA  39  -4.022   4.375  -2.085
  265   1HB   ALA  39          1HB       ALA  39  -1.703   6.029  -1.175
  266   2HB   ALA  39          2HB       ALA  39  -1.912   4.279  -1.147
  267   3HB   ALA  39          3HB       ALA  39  -2.722   5.282   0.054
  268    H    GLN  40           H        GLN  40  -4.393   7.727  -2.496
  269    HA   GLN  40           HA       GLN  40  -6.186   7.921  -0.117
  270   1HB   GLN  40          2HB       GLN  40  -5.081  10.133  -1.873
  271   2HB   GLN  40          1HB       GLN  40  -6.008  10.345  -0.386
  272   1HG   GLN  40          2HG       GLN  40  -4.208   9.022   0.811
  273   2HG   GLN  40          1HG       GLN  40  -3.257   9.107  -0.672
  274   1HE2  GLN  40          1HE2      GLN  40  -1.747  10.764  -0.537
  275   2HE2  GLN  40          2HE2      GLN  40  -2.006  12.266   0.211
  276    H    CYS  41           H        CYS  41  -6.185   9.354  -3.413
  277    HA   CYS  41           HA       CYS  41  -9.129   9.258  -3.431
  278   1HB   CYS  41          2HB       CYS  41  -8.998  10.539  -5.439
  279   2HB   CYS  41          1HB       CYS  41  -7.717  11.155  -4.397
  280    H    PHE  42           H        PHE  42  -6.641   7.139  -4.273
  281    HA   PHE  42           HA       PHE  42  -6.617   5.115  -5.445
  282   1HB   PHE  42          2HB       PHE  42  -9.631   5.360  -5.544
  283   2HB   PHE  42          1HB       PHE  42  -8.661   3.888  -5.609
  284    HD1  PHE  42           HD1      PHE  42 -10.623   5.862  -3.493
  285    HD2  PHE  42           HD2      PHE  42  -6.916   3.690  -3.545
  286    HE1  PHE  42           HE1      PHE  42 -10.674   5.712  -1.018
  287    HE2  PHE  42           HE2      PHE  42  -6.970   3.539  -1.071
  288    HZ   PHE  42           HZ       PHE  42  -8.849   4.551   0.192
  289    H    GLN  43           H        GLN  43  -6.845   7.841  -6.837
  290    HA   GLN  43           HA       GLN  43  -8.239   7.442  -9.320
  291   1HB   GLN  43          2HB       GLN  43  -7.487   9.676  -8.572
  292   2HB   GLN  43          1HB       GLN  43  -5.807   9.164  -8.715
  293   1HG   GLN  43          2HG       GLN  43  -6.239   8.690 -11.154
  294   2HG   GLN  43          1HG       GLN  43  -7.831   9.423 -10.955
  295   1HE2  GLN  43          1HE2      GLN  43  -4.330  10.144 -10.664
  296   2HE2  GLN  43          2HE2      GLN  43  -4.498  11.818 -10.887
  297    H    GLN  44           H        GLN  44  -7.729   5.921 -10.820
  298    HA   GLN  44           HA       GLN  44  -5.097   4.615 -10.720
  299   1HB   GLN  44          2HB       GLN  44  -6.765   3.777 -12.949
  300   2HB   GLN  44          1HB       GLN  44  -6.174   2.833 -11.580
  301   1HG   GLN  44          2HG       GLN  44  -8.026   3.977 -10.204
  302   2HG   GLN  44          1HG       GLN  44  -8.699   4.490 -11.752
  303   1HE2  GLN  44          1HE2      GLN  44  -9.262   2.215  -9.526
  304   2HE2  GLN  44          2HE2      GLN  44  -9.692   0.896 -10.506
  305    H    PHE  45           H        PHE  45  -3.568   4.657 -12.363
  306    HA   PHE  45           HA       PHE  45  -4.059   6.517 -14.641
  307   1HB   PHE  45          2HB       PHE  45  -2.672   7.422 -12.568
  308   2HB   PHE  45          1HB       PHE  45  -1.372   6.488 -13.297
  309    HD1  PHE  45           HD1      PHE  45  -2.755   9.658 -13.173
  310    HD2  PHE  45           HD2      PHE  45  -1.354   6.778 -16.036
  311    HE1  PHE  45           HE1      PHE  45  -2.387  11.474 -14.820
  312    HE2  PHE  45           HE2      PHE  45  -0.986   8.593 -17.683
  313    HZ   PHE  45           HZ       PHE  45  -1.502  10.942 -17.075
  314    HA   PRO  46           HA       PRO  46  -2.713   2.769 -16.660
  315   1HB   PRO  46          2HB       PRO  46  -2.452   4.239 -19.116
  316   2HB   PRO  46          1HB       PRO  46  -3.724   3.103 -18.651
  317   1HG   PRO  46          2HG       PRO  46  -3.914   5.975 -18.840
  318   2HG   PRO  46          1HG       PRO  46  -5.182   4.831 -18.381
  319   1HD   PRO  46          2HD       PRO  46  -3.782   6.674 -16.675
  320   2HD   PRO  46          1HD       PRO  46  -5.022   5.491 -16.209
  321    H    GLU  47           H        GLU  47  -0.637   2.324 -16.018
  322    HA   GLU  47           HA       GLU  47   1.699   2.690 -15.690
  323   1HB   GLU  47          2HB       GLU  47   2.833   2.442 -17.965
  324   2HB   GLU  47          1HB       GLU  47   1.675   1.186 -17.539
  325   1HG   GLU  47          2HG       GLU  47  -0.066   2.351 -18.866
  326   2HG   GLU  47          1HG       GLU  47   1.115   3.582 -19.316
  327    H    GLY  48           H        GLY  48   0.631   5.163 -15.285
  328   1HA   GLY  48          2HA       GLY  48   1.995   7.060 -17.104
  329   2HA   GLY  48          1HA       GLY  48   0.896   7.494 -15.797
  330    H    LEU  49           H        LEU  49   2.790   5.294 -14.354
  331    HA   LEU  49           HA       LEU  49   4.432   5.555 -12.684
  332   1HB   LEU  49          2HB       LEU  49   5.606   5.786 -15.119
  333   2HB   LEU  49          1HB       LEU  49   6.020   7.361 -14.444
  334    HG   LEU  49           HG       LEU  49   6.498   4.741 -12.994
  335   1HD1  LEU  49          1HD1      LEU  49   7.832   4.870 -15.081
  336   2HD1  LEU  49          2HD1      LEU  49   8.852   4.993 -13.647
  337   3HD1  LEU  49          3HD1      LEU  49   8.456   6.441 -14.573
  338   1HD2  LEU  49          1HD2      LEU  49   6.366   6.641 -11.492
  339   2HD2  LEU  49          2HD2      LEU  49   7.405   7.604 -12.542
  340   3HD2  LEU  49          3HD2      LEU  49   8.068   6.218 -11.675
  341    H    PHE  50           H        PHE  50   2.520   7.082 -11.912
  342    HA   PHE  50           HA       PHE  50   3.100   9.923 -11.941
  343   1HB   PHE  50          2HB       PHE  50   1.213   9.987 -10.240
  344   2HB   PHE  50          1HB       PHE  50   0.802   9.324 -11.815
  345    HD1  PHE  50           HD1      PHE  50   2.871   7.125  -9.775
  346    HD2  PHE  50           HD2      PHE  50  -1.177   8.325 -10.571
  347    HE1  PHE  50           HE1      PHE  50   2.038   5.091  -8.659
  348    HE2  PHE  50           HE2      PHE  50  -1.999   6.283  -9.438
  349    HZ   PHE  50           HZ       PHE  50  -0.388   4.663  -8.485
  350    H    TYR  51           H        TYR  51   2.195   9.004  -8.795
  351    HA   TYR  51           HA       TYR  51   5.022   9.296  -7.891
  352   1HB   TYR  51          2HB       TYR  51   2.702  10.939  -7.305
  353   2HB   TYR  51          1HB       TYR  51   3.393  10.274  -5.827
  354    HD1  TYR  51           HD1      TYR  51   5.993  10.387  -5.606
  355    HD2  TYR  51           HD2      TYR  51   3.693  12.831  -8.288
  356    HE1  TYR  51           HE1      TYR  51   7.862  12.007  -5.729
  357    HE2  TYR  51           HE2      TYR  51   5.563  14.455  -8.411
  358    HH   TYR  51           HH       TYR  51   8.487  13.936  -7.824
  359    H    GLU  52           H        GLU  52   4.306   6.775  -8.198
  360    HA   GLU  52           HA       GLU  52   2.874   5.596  -5.984
  361   1HB   GLU  52          2HB       GLU  52   4.523   3.578  -6.817
  362   2HB   GLU  52          1HB       GLU  52   2.998   3.969  -7.585
  363   1HG   GLU  52          2HG       GLU  52   4.924   3.773  -9.194
  364   2HG   GLU  52          1HG       GLU  52   4.105   5.329  -9.256
  365    H    PHE  53           H        PHE  53   4.015   4.161  -4.309
  366    HA   PHE  53           HA       PHE  53   6.794   4.987  -3.722
  367   1HB   PHE  53          2HB       PHE  53   4.493   6.136  -2.395
  368   2HB   PHE  53          1HB       PHE  53   5.484   5.245  -1.239
  369    HD1  PHE  53           HD1      PHE  53   7.791   5.893  -0.780
  370    HD2  PHE  53           HD2      PHE  53   5.407   8.068  -3.621
  371    HE1  PHE  53           HE1      PHE  53   9.455   7.730  -0.774
  372    HE2  PHE  53           HE2      PHE  53   7.072   9.901  -3.612
  373    HZ   PHE  53           HZ       PHE  53   9.096   9.733  -2.190
  374    H    GLU  54           H        GLU  54   7.573   3.810  -1.670
  375    HA   GLU  54           HA       GLU  54   7.068   0.989  -1.995
  376   1HB   GLU  54          2HB       GLU  54   8.515   0.814   0.097
  377   2HB   GLU  54          1HB       GLU  54   9.257   1.634  -1.275
  378   1HG   GLU  54          2HG       GLU  54   9.579   3.456   0.003
  379   2HG   GLU  54          1HG       GLU  54   7.835   3.608   0.210
  380    H    GLY  55           H        GLY  55   5.366  -0.108  -1.164
  381   1HA   GLY  55          2HA       GLY  55   3.691  -0.776   0.346
  382   2HA   GLY  55          1HA       GLY  55   4.508   0.191   1.574
  383    H    ARG  56           H        ARG  56   4.116   2.298  -0.864
  384    HA   ARG  56           HA       ARG  56   1.322   3.052  -0.121
  385   1HB   ARG  56          2HB       ARG  56   3.684   4.952  -0.292
  386   2HB   ARG  56          1HB       ARG  56   2.017   5.405   0.056
  387   1HG   ARG  56          2HG       ARG  56   2.149   4.720   2.221
  388   2HG   ARG  56          1HG       ARG  56   3.083   3.284   1.807
  389   1HD   ARG  56          2HD       ARG  56   4.756   5.509   1.280
  390   2HD   ARG  56          1HD       ARG  56   4.020   5.806   2.852
  391    HE   ARG  56           HE       ARG  56   6.153   4.031   2.419
  392   1HH1  ARG  56          1HH2      ARG  56   2.949   3.866   3.716
  393   2HH1  ARG  56          2HH2      ARG  56   3.284   2.469   4.682
  394   1HH2  ARG  56          2HH1      ARG  56   6.588   2.230   3.675
  395   2HH2  ARG  56          1HH1      ARG  56   5.339   1.549   4.661
  396    H    LYS  57           H        LYS  57   0.934   5.209  -1.691
  397    HA   LYS  57           HA       LYS  57   2.116   5.108  -4.298
  398   1HB   LYS  57          2HB       LYS  57   0.198   4.087  -5.524
  399   2HB   LYS  57          1HB       LYS  57   1.013   2.931  -4.470
  400   1HG   LYS  57          2HG       LYS  57  -0.749   3.700  -2.691
  401   2HG   LYS  57          1HG       LYS  57  -1.654   4.272  -4.093
  402   1HD   LYS  57          2HD       LYS  57  -0.585   1.454  -3.816
  403   2HD   LYS  57          1HD       LYS  57  -2.230   1.925  -3.391
  404   1HE   LYS  57          2HE       LYS  57  -2.590   2.743  -5.696
  405   2HE   LYS  57          1HE       LYS  57  -0.952   2.235  -6.122
  406   1HZ   LYS  57          1HZ       LYS  57  -3.274   0.558  -5.428
  407   2HZ   LYS  57          2HZ       LYS  57  -1.695  -0.033  -5.220
  408   3HZ   LYS  57          3HZ       LYS  57  -2.232   0.438  -6.761
  409    H    TYR  58           H        TYR  58   1.533   6.972  -5.363
  410    HA   TYR  58           HA       TYR  58  -1.073   8.241  -4.752
  411   1HB   TYR  58          2HB       TYR  58   1.481   9.842  -4.536
  412   2HB   TYR  58          1HB       TYR  58  -0.143  10.341  -4.076
  413    HD1  TYR  58           HD1      TYR  58   2.913   8.844  -2.984
  414    HD2  TYR  58           HD2      TYR  58  -1.308   8.997  -2.190
  415    HE1  TYR  58           HE1      TYR  58   3.323   7.997  -0.697
  416    HE2  TYR  58           HE2      TYR  58  -0.900   8.140   0.108
  417    HH   TYR  58           HH       TYR  58   1.932   8.216   1.621
  418    H    CYS  59           H        CYS  59  -1.746   9.663  -6.384
  419    HA   CYS  59           HA       CYS  59  -0.172   9.447  -8.885
  420   1HB   CYS  59          2HB       CYS  59  -2.271  10.367  -9.946
  421   2HB   CYS  59          1HB       CYS  59  -2.488   8.802  -9.155
  422    H    GLU  60           H        GLU  60  -0.433  11.607 -10.256
  423    HA   GLU  60           HA       GLU  60   1.007  13.619  -8.822
  424   1HB   GLU  60          2HB       GLU  60   0.956  13.217 -11.356
  425   2HB   GLU  60          1HB       GLU  60  -0.579  14.084 -11.362
  426   1HG   GLU  60          2HG       GLU  60   1.455  15.512 -11.858
  427   2HG   GLU  60          1HG       GLU  60   0.458  16.088 -10.527
  428    H    HIS  61           H        HIS  61  -2.100  12.766  -8.304
  429    HA   HIS  61           HA       HIS  61  -3.288  15.446  -8.224
  430   1HB   HIS  61          2HB       HIS  61  -5.105  14.111  -8.468
  431   2HB   HIS  61          1HB       HIS  61  -4.220  12.687  -7.944
  432    HD2  HIS  61           HD2      HIS  61  -5.826  15.815  -6.049
  433    HE1  HIS  61           HE1      HIS  61  -6.245  12.374  -3.641
  434    HE2  HIS  61           HE2      HIS  61  -6.745  14.856  -3.804
  435    H    ASP  62           H        ASP  62  -3.081  13.054  -5.564
  436    HA   ASP  62           HA       ASP  62  -3.205  15.018  -3.515
  437   1HB   ASP  62          2HB       ASP  62  -2.936  12.187  -3.662
  438   2HB   ASP  62          1HB       ASP  62  -1.647  12.785  -2.623
  439    H    PHE  63           H        PHE  63  -0.520  13.767  -5.364
  440    HA   PHE  63           HA       PHE  63   1.493  14.901  -3.602
  441   1HB   PHE  63          2HB       PHE  63   1.413  13.213  -5.984
  442   2HB   PHE  63          1HB       PHE  63   2.786  14.310  -5.933
  443    HD1  PHE  63           HD1      PHE  63   0.788  12.419  -3.386
  444    HD2  PHE  63           HD2      PHE  63   4.661  13.350  -4.950
  445    HE1  PHE  63           HE1      PHE  63   1.828  11.038  -1.614
  446    HE2  PHE  63           HE2      PHE  63   5.705  11.944  -3.194
  447    HZ   PHE  63           HZ       PHE  63   4.292  10.795  -1.520
  448    H    GLN  64           H        GLN  64  -0.056  15.962  -6.664
  449    HA   GLN  64           HA       GLN  64   1.776  18.235  -6.870
  450   1HB   GLN  64          2HB       GLN  64   0.439  19.011  -8.673
  451   2HB   GLN  64          1HB       GLN  64   0.395  17.259  -8.813
  452   1HG   GLN  64          2HG       GLN  64  -1.773  17.250  -7.576
  453   2HG   GLN  64          1HG       GLN  64  -1.735  19.009  -7.547
  454   1HE2  GLN  64          1HE2      GLN  64  -0.805  19.564 -10.162
  455   2HE2  GLN  64          2HE2      GLN  64  -1.951  19.016 -11.288
  456    H    MET  65           H        MET  65  -0.808  17.405  -4.918
  457    HA   MET  65           HA       MET  65  -1.825  20.093  -4.391
  458   1HB   MET  65          2HB       MET  65  -3.190  17.984  -4.068
  459   2HB   MET  65          1HB       MET  65  -2.133  17.574  -2.718
  460   1HG   MET  65          2HG       MET  65  -3.271  20.314  -2.665
  461   2HG   MET  65          1HG       MET  65  -4.426  19.001  -2.433
  462   1HE   MET  65          1HE       MET  65  -2.906  16.697  -0.881
  463   2HE   MET  65          2HE       MET  65  -4.518  17.396  -0.755
  464   3HE   MET  65          3HE       MET  65  -3.523  17.231   0.689
  465    H    LEU  66           H        LEU  66   0.455  17.781  -2.994
  466    HA   LEU  66           HA       LEU  66   1.112  19.441  -0.694
  467   1HB   LEU  66          2HB       LEU  66   3.079  17.483  -1.868
  468   2HB   LEU  66          1HB       LEU  66   2.739  17.836  -0.178
  469    HG   LEU  66           HG       LEU  66   0.979  16.304  -2.098
  470   1HD1  LEU  66          1HD1      LEU  66   1.415  14.416  -0.615
  471   2HD1  LEU  66          2HD1      LEU  66   2.365  15.444   0.458
  472   3HD1  LEU  66          3HD1      LEU  66   2.949  15.089  -1.168
  473   1HD2  LEU  66          1HD2      LEU  66   0.516  17.282   0.730
  474   2HD2  LEU  66          2HD2      LEU  66  -0.381  15.922   0.055
  475   3HD2  LEU  66          3HD2      LEU  66  -0.515  17.518  -0.681
  476    H    PHE  67           H        PHE  67   3.370  18.454  -3.269
  477    HA   PHE  67           HA       PHE  67   3.816  21.189  -4.135
  478   1HB   PHE  67          2HB       PHE  67   6.214  19.840  -2.872
  479   2HB   PHE  67          1HB       PHE  67   6.038  21.527  -3.345
  480    HD1  PHE  67           HD1      PHE  67   5.162  18.978  -0.820
  481    HD2  PHE  67           HD2      PHE  67   4.875  23.122  -1.922
  482    HE1  PHE  67           HE1      PHE  67   4.410  19.537   1.475
  483    HE2  PHE  67           HE2      PHE  67   4.122  23.679   0.375
  484    HZ   PHE  67           HZ       PHE  67   3.889  21.886   2.073
  485    H    ALA  68           H        ALA  68   3.211  19.940  -6.098
  486    HA   ALA  68           HA       ALA  68   5.594  19.076  -7.536
  487   1HB   ALA  68          1HB       ALA  68   3.446  17.040  -6.867
  488   2HB   ALA  68          2HB       ALA  68   5.137  16.985  -6.375
  489   3HB   ALA  68          3HB       ALA  68   4.707  16.794  -8.074
  490    HA   PRO  69           HA       PRO  69   1.960  20.911  -9.875
  491   1HB   PRO  69          2HB       PRO  69   3.730  22.901 -10.921
  492   2HB   PRO  69          1HB       PRO  69   2.415  23.135  -9.762
  493   1HG   PRO  69          2HG       PRO  69   5.268  23.218  -9.260
  494   2HG   PRO  69          1HG       PRO  69   3.949  23.534  -8.125
  495   1HD   PRO  69          2HD       PRO  69   5.661  21.222  -8.228
  496   2HD   PRO  69          1HD       PRO  69   4.316  21.533  -7.112
  497    H    CYS  70           H        CYS  70   1.999  19.163 -11.358
  498    HA   CYS  70           HA       CYS  70   4.289  18.889 -13.206
  499   1HB   CYS  70          2HB       CYS  70   3.168  16.879 -12.215
  500   2HB   CYS  70          1HB       CYS  70   1.703  17.308 -13.098
  501    HG   CYS  70           HG       CYS  70   3.610  17.208 -15.234
  Start of MODEL   23
    1    H    MET   1           1H       MET   1  -3.990 -32.039 -12.040
    2    HA   MET   1           HA       MET   1  -3.981 -29.934 -11.024
    3   1HB   MET   1          2HB       MET   1  -1.723 -31.078 -12.015
    4   2HB   MET   1          1HB       MET   1  -1.637 -29.500 -12.798
    5   1HG   MET   1          2HG       MET   1  -2.000 -29.951  -9.818
    6   2HG   MET   1          1HG       MET   1  -0.487 -29.493 -10.600
    7   1HE   MET   1          1HE       MET   1   0.250 -27.061 -10.751
    8   2HE   MET   1          2HE       MET   1  -0.781 -25.961 -11.664
    9   3HE   MET   1          3HE       MET   1  -0.404 -27.552 -12.320
   10    H    ALA   2           H        ALA   2  -3.380 -29.564 -14.532
   11    HA   ALA   2           HA       ALA   2  -3.960 -27.835 -16.002
   12   1HB   ALA   2          1HB       ALA   2  -6.220 -28.340 -14.723
   13   2HB   ALA   2          2HB       ALA   2  -6.083 -26.911 -15.748
   14   3HB   ALA   2          3HB       ALA   2  -5.921 -26.759 -13.999
   15    H    ASN   3           H        ASN   3  -4.682 -25.174 -15.528
   16    HA   ASN   3           HA       ASN   3  -2.137 -24.090 -14.606
   17   1HB   ASN   3          2HB       ASN   3  -3.465 -23.111 -16.500
   18   2HB   ASN   3          1HB       ASN   3  -4.681 -22.602 -15.328
   19   1HD2  ASN   3          1HD2      ASN   3  -1.527 -21.860 -16.647
   20   2HD2  ASN   3          2HD2      ASN   3  -1.243 -20.475 -15.708
   21    H    ALA   4           H        ALA   4  -1.689 -23.316 -12.594
   22    HA   ALA   4           HA       ALA   4  -3.807 -22.352 -10.813
   23   1HB   ALA   4          1HB       ALA   4  -3.453 -23.980  -9.050
   24   2HB   ALA   4          2HB       ALA   4  -2.177 -24.769  -9.977
   25   3HB   ALA   4          3HB       ALA   4  -3.850 -24.855 -10.529
   26    H    LEU   5           H        LEU   5  -0.843 -22.036 -12.044
   27    HA   LEU   5           HA       LEU   5   0.649 -21.360  -9.607
   28   1HB   LEU   5          2HB       LEU   5   1.252 -21.090 -12.563
   29   2HB   LEU   5          1HB       LEU   5   2.348 -20.510 -11.309
   30    HG   LEU   5           HG       LEU   5   2.104 -22.917 -10.321
   31   1HD1  LEU   5          1HD1      LEU   5   1.021 -23.199 -13.122
   32   2HD1  LEU   5          2HD1      LEU   5   0.387 -23.874 -11.621
   33   3HD1  LEU   5          3HD1      LEU   5   1.852 -24.543 -12.339
   34   1HD2  LEU   5          1HD2      LEU   5   4.187 -22.027 -11.270
   35   2HD2  LEU   5          2HD2      LEU   5   3.613 -22.377 -12.900
   36   3HD2  LEU   5          3HD2      LEU   5   3.958 -23.698 -11.783
   37    H    ALA   6           H        ALA   6  -0.430 -19.638  -8.613
   38    HA   ALA   6           HA       ALA   6  -1.434 -17.344 -10.048
   39   1HB   ALA   6          1HB       ALA   6  -1.653 -16.323  -7.813
   40   2HB   ALA   6          2HB       ALA   6  -0.678 -17.618  -7.121
   41   3HB   ALA   6          3HB       ALA   6  -2.263 -17.977  -7.805
   42    H    SER   7           H        SER   7   1.656 -18.162  -8.582
   43    HA   SER   7           HA       SER   7   3.714 -17.045  -8.565
   44   1HB   SER   7          2HB       SER   7   4.376 -16.204 -10.625
   45   2HB   SER   7          1HB       SER   7   2.970 -17.147 -11.108
   46    HG   SER   7           HG       SER   7   1.806 -15.058 -10.681
   47    H    ALA   8           H        ALA   8   4.358 -14.384  -9.301
   48    HA   ALA   8           HA       ALA   8   3.517 -12.955  -6.958
   49   1HB   ALA   8          1HB       ALA   8   5.650 -12.537  -8.225
   50   2HB   ALA   8          2HB       ALA   8   4.729 -11.070  -7.897
   51   3HB   ALA   8          3HB       ALA   8   4.690 -11.795  -9.505
   52    H    THR   9           H        THR   9   1.958 -11.313  -6.730
   53    HA   THR   9           HA       THR   9   0.151 -10.910  -9.083
   54    HB   THR   9           HB       THR   9  -1.706 -10.715  -7.366
   55    HG1  THR   9           HG1      THR   9  -0.185 -10.411  -5.610
   56   1HG2  THR   9          1HG2      THR   9  -1.770 -13.223  -6.933
   57   2HG2  THR   9          2HG2      THR   9  -0.184 -13.305  -7.701
   58   3HG2  THR   9          3HG2      THR   9  -1.581 -12.746  -8.620
   59    H    CYS  10           H        CYS  10  -0.977  -8.847  -9.100
   60    HA   CYS  10           HA       CYS  10   0.704  -6.619  -8.488
   61   1HB   CYS  10          2HB       CYS  10  -1.122  -6.781 -10.258
   62   2HB   CYS  10          1HB       CYS  10  -2.262  -6.472  -8.957
   63    H    GLU  11           H        GLU  11   0.104  -4.760  -7.107
   64    HA   GLU  11           HA       GLU  11  -0.570  -5.698  -4.410
   65   1HB   GLU  11          2HB       GLU  11   1.288  -4.180  -4.615
   66   2HB   GLU  11          1HB       GLU  11   0.319  -3.029  -5.533
   67   1HG   GLU  11          2HG       GLU  11  -0.807  -3.741  -2.894
   68   2HG   GLU  11          1HG       GLU  11   0.734  -2.890  -2.823
   69    H    ARG  12           H        ARG  12  -1.870  -3.280  -6.708
   70    HA   ARG  12           HA       ARG  12  -4.201  -2.855  -4.954
   71   1HB   ARG  12          2HB       ARG  12  -4.375  -0.859  -5.998
   72   2HB   ARG  12          1HB       ARG  12  -2.808  -1.228  -6.707
   73   1HG   ARG  12          2HG       ARG  12  -3.973  -0.836  -8.645
   74   2HG   ARG  12          1HG       ARG  12  -4.368  -2.540  -8.469
   75   1HD   ARG  12          2HD       ARG  12  -6.290  -1.367  -6.905
   76   2HD   ARG  12          1HD       ARG  12  -6.092  -0.156  -8.166
   77    HE   ARG  12           HE       ARG  12  -7.558  -2.543  -8.459
   78   1HH1  ARG  12          1HH2      ARG  12  -4.920  -0.970 -10.043
   79   2HH1  ARG  12          2HH2      ARG  12  -5.195  -1.766 -11.553
   80   1HH2  ARG  12          2HH1      ARG  12  -7.924  -3.562 -10.420
   81   2HH2  ARG  12          1HH1      ARG  12  -6.890  -3.225 -11.768
   82    H    CYS  13           H        CYS  13  -3.398  -4.746  -7.758
   83    HA   CYS  13           HA       CYS  13  -6.306  -5.379  -8.080
   84   1HB   CYS  13          2HB       CYS  13  -6.097  -5.303 -10.342
   85   2HB   CYS  13          1HB       CYS  13  -4.695  -4.300  -9.987
   86    H    LYS  14           H        LYS  14  -3.234  -6.670  -7.249
   87    HA   LYS  14           HA       LYS  14  -2.510  -8.847  -6.838
   88   1HB   LYS  14          2HB       LYS  14  -3.909  -9.914  -5.407
   89   2HB   LYS  14          1HB       LYS  14  -4.888  -8.466  -5.579
   90   1HG   LYS  14          2HG       LYS  14  -6.545  -9.886  -6.185
   91   2HG   LYS  14          1HG       LYS  14  -5.715  -9.997  -7.735
   92   1HD   LYS  14          2HD       LYS  14  -4.279 -11.825  -6.620
   93   2HD   LYS  14          1HD       LYS  14  -5.521 -11.858  -5.368
   94   1HE   LYS  14          2HE       LYS  14  -6.000 -13.558  -7.083
   95   2HE   LYS  14          1HE       LYS  14  -7.245 -12.309  -7.089
   96   1HZ   LYS  14          1HZ       LYS  14  -5.808 -13.136  -9.244
   97   2HZ   LYS  14          2HZ       LYS  14  -5.036 -11.687  -8.804
   98   3HZ   LYS  14          3HZ       LYS  14  -6.701 -11.697  -9.143
   99    H    GLY  15           H        GLY  15  -3.153  -8.059  -9.624
  100   1HA   GLY  15          2HA       GLY  15  -4.258 -10.437 -10.904
  101   2HA   GLY  15          1HA       GLY  15  -3.507  -9.072 -11.730
  102    H    GLY  16           H        GLY  16  -3.124 -12.282 -11.217
  103   1HA   GLY  16          2HA       GLY  16  -0.382 -12.605 -10.527
  104   2HA   GLY  16          1HA       GLY  16  -1.311 -13.747 -11.503
  105    H    PHE  17           H        PHE  17   1.020 -11.211 -11.567
  106    HA   PHE  17           HA       PHE  17   1.007 -11.234 -14.554
  107   1HB   PHE  17          2HB       PHE  17   2.525  -9.149 -14.186
  108   2HB   PHE  17          1HB       PHE  17   0.793  -8.993 -13.938
  109    HD1  PHE  17           HD1      PHE  17   1.128  -7.018 -12.480
  110    HD2  PHE  17           HD2      PHE  17   2.800 -10.851 -11.468
  111    HE1  PHE  17           HE1      PHE  17   1.559  -6.232 -10.181
  112    HE2  PHE  17           HE2      PHE  17   3.218 -10.052  -9.173
  113    HZ   PHE  17           HZ       PHE  17   2.595  -7.757  -8.530
  114    H    ALA  18           H        ALA  18   3.555 -10.411 -15.099
  115    HA   ALA  18           HA       ALA  18   5.600 -11.789 -13.638
  116   1HB   ALA  18          1HB       ALA  18   4.045 -13.395 -15.494
  117   2HB   ALA  18          2HB       ALA  18   5.299 -13.901 -14.361
  118   3HB   ALA  18          3HB       ALA  18   5.742 -13.341 -15.973
  119    HA   PRO  19           HA       PRO  19   7.283 -10.434 -18.010
  120   1HB   PRO  19          2HB       PRO  19   5.185  -8.854 -19.224
  121   2HB   PRO  19          1HB       PRO  19   5.981 -10.299 -19.862
  122   1HG   PRO  19          2HG       PRO  19   3.311 -10.097 -18.821
  123   2HG   PRO  19          1HG       PRO  19   4.135 -11.551 -19.402
  124   1HD   PRO  19          2HD       PRO  19   3.481 -10.861 -16.685
  125   2HD   PRO  19          1HD       PRO  19   4.304 -12.319 -17.271
  126    H    ALA  20           H        ALA  20   8.396  -8.453 -18.151
  127    HA   ALA  20           HA       ALA  20   8.215  -6.615 -16.011
  128   1HB   ALA  20          1HB       ALA  20   9.368  -6.162 -18.780
  129   2HB   ALA  20          2HB       ALA  20  10.227  -6.863 -17.409
  130   3HB   ALA  20          3HB       ALA  20   9.710  -5.178 -17.357
  131    H    GLU  21           H        GLU  21   6.417  -6.724 -19.000
  132    HA   GLU  21           HA       GLU  21   5.585  -3.943 -18.964
  133   1HB   GLU  21          2HB       GLU  21   5.154  -6.276 -20.630
  134   2HB   GLU  21          1HB       GLU  21   3.617  -5.478 -20.296
  135   1HG   GLU  21          2HG       GLU  21   6.014  -3.848 -21.108
  136   2HG   GLU  21          1HG       GLU  21   5.045  -4.666 -22.333
  137    H    LYS  22           H        LYS  22   4.421  -6.954 -17.588
  138    HA   LYS  22           HA       LYS  22   2.032  -5.573 -16.495
  139   1HB   LYS  22          2HB       LYS  22   2.853  -8.492 -16.537
  140   2HB   LYS  22          1HB       LYS  22   1.396  -7.891 -15.743
  141   1HG   LYS  22          2HG       LYS  22   0.770  -6.841 -17.988
  142   2HG   LYS  22          1HG       LYS  22   2.068  -7.807 -18.691
  143   1HD   LYS  22          2HD       LYS  22   1.011  -9.856 -18.089
  144   2HD   LYS  22          1HD       LYS  22  -0.111  -9.044 -16.998
  145   1HE   LYS  22          2HE       LYS  22  -1.230  -9.658 -19.110
  146   2HE   LYS  22          1HE       LYS  22  -1.165  -7.906 -18.918
  147   1HZ   LYS  22          1HZ       LYS  22  -0.484  -8.906 -21.156
  148   2HZ   LYS  22          2HZ       LYS  22   0.957  -9.352 -20.373
  149   3HZ   LYS  22          3HZ       LYS  22   0.516  -7.714 -20.480
  150    H    ILE  23           H        ILE  23   5.143  -6.838 -15.590
  151    HA   ILE  23           HA       ILE  23   4.514  -6.577 -12.700
  152    HB   ILE  23           HB       ILE  23   6.573  -7.981 -14.314
  153   1HG1  ILE  23          2HG1      ILE  23   4.630  -8.999 -13.005
  154   2HG1  ILE  23          1HG1      ILE  23   6.215  -9.706 -12.697
  155   1HG2  ILE  23          1HG2      ILE  23   8.174  -6.643 -13.216
  156   2HG2  ILE  23          2HG2      ILE  23   8.046  -8.063 -12.179
  157   3HG2  ILE  23          3HG2      ILE  23   7.227  -6.568 -11.729
  158   1HD1  ILE  23          1HD1      ILE  23   5.193  -9.380 -10.555
  159   2HD1  ILE  23          2HD1      ILE  23   4.702  -7.738 -10.964
  160   3HD1  ILE  23          3HD1      ILE  23   6.406  -8.114 -10.716
  161    H    VAL  24           H        VAL  24   4.803  -4.608 -11.828
  162    HA   VAL  24           HA       VAL  24   7.154  -2.983 -12.694
  163    HB   VAL  24           HB       VAL  24   4.530  -1.671 -11.998
  164   1HG1  VAL  24          1HG1      VAL  24   6.606  -0.326 -12.062
  165   2HG1  VAL  24          2HG1      VAL  24   5.493   0.156 -13.342
  166   3HG1  VAL  24          3HG1      VAL  24   6.890  -0.850 -13.722
  167   1HG2  VAL  24          1HG2      VAL  24   3.965  -3.158 -13.849
  168   2HG2  VAL  24          2HG2      VAL  24   5.407  -2.662 -14.735
  169   3HG2  VAL  24          3HG2      VAL  24   4.095  -1.513 -14.471
  170    H    ASN  25           H        ASN  25   7.991  -3.998 -10.668
  171    HA   ASN  25           HA       ASN  25   6.713  -3.245  -8.153
  172   1HB   ASN  25          2HB       ASN  25   7.804  -5.250  -7.851
  173   2HB   ASN  25          1HB       ASN  25   9.122  -4.830  -8.946
  174   1HD2  ASN  25          1HD2      ASN  25  10.878  -3.484  -8.077
  175   2HD2  ASN  25          2HD2      ASN  25  11.084  -3.288  -6.403
  176    H    SER  26           H        SER  26   7.408  -1.667  -6.752
  177    HA   SER  26           HA       SER  26   9.819  -0.106  -7.271
  178   1HB   SER  26          2HB       SER  26   8.797   1.328  -8.703
  179   2HB   SER  26          1HB       SER  26   7.199   0.689  -8.321
  180    HG   SER  26           HG       SER  26   8.682   2.425  -6.620
  181    H    ASN  27           H        ASN  27  10.394   1.051  -5.403
  182    HA   ASN  27           HA       ASN  27  10.302   1.748  -3.168
  183   1HB   ASN  27          2HB       ASN  27   8.358   2.688  -2.492
  184   2HB   ASN  27          1HB       ASN  27   7.733   2.230  -4.068
  185   1HD2  ASN  27          1HD2      ASN  27   8.262   0.610  -0.861
  186   2HD2  ASN  27          2HD2      ASN  27   6.772  -0.200  -0.872
  187    H    GLY  28           H        GLY  28   8.467  -1.129  -4.025
  188   1HA   GLY  28          2HA       GLY  28   9.802  -3.123  -2.818
  189   2HA   GLY  28          1HA       GLY  28   9.015  -2.393  -1.416
  190    H    GLU  29           H        GLU  29   6.778  -1.618  -3.428
  191    HA   GLU  29           HA       GLU  29   5.254  -4.145  -3.074
  192   1HB   GLU  29          2HB       GLU  29   4.615  -1.275  -3.216
  193   2HB   GLU  29          1HB       GLU  29   3.491  -2.298  -4.108
  194   1HG   GLU  29          2HG       GLU  29   2.756  -3.384  -2.205
  195   2HG   GLU  29          1HG       GLU  29   4.285  -3.156  -1.355
  196    H    LEU  30           H        LEU  30   3.559  -4.421  -5.003
  197    HA   LEU  30           HA       LEU  30   5.109  -4.254  -7.566
  198   1HB   LEU  30          2HB       LEU  30   3.447  -6.421  -6.344
  199   2HB   LEU  30          1HB       LEU  30   3.430  -6.241  -8.096
  200    HG   LEU  30           HG       LEU  30   5.888  -6.381  -8.143
  201   1HD1  LEU  30          1HD1      LEU  30   6.678  -5.581  -6.094
  202   2HD1  LEU  30          2HD1      LEU  30   6.871  -7.320  -5.886
  203   3HD1  LEU  30          3HD1      LEU  30   5.490  -6.494  -5.165
  204   1HD2  LEU  30          1HD2      LEU  30   4.296  -8.585  -6.841
  205   2HD2  LEU  30          2HD2      LEU  30   6.011  -8.803  -7.189
  206   3HD2  LEU  30          3HD2      LEU  30   4.880  -8.477  -8.501
  207    H    TYR  31           H        TYR  31   3.998  -3.576  -9.404
  208    HA   TYR  31           HA       TYR  31   1.097  -2.993  -9.187
  209   1HB   TYR  31          2HB       TYR  31   2.965  -0.867 -10.235
  210   2HB   TYR  31          1HB       TYR  31   1.284  -0.691  -9.755
  211    HD1  TYR  31           HD1      TYR  31   4.570  -1.761  -8.251
  212    HD2  TYR  31           HD2      TYR  31   0.864   0.343  -7.712
  213    HE1  TYR  31           HE1      TYR  31   5.314  -1.045  -6.008
  214    HE2  TYR  31           HE2      TYR  31   1.609   1.062  -5.454
  215    HH   TYR  31           HH       TYR  31   3.248   0.155  -3.697
  216    H    HIS  32           H        HIS  32   0.151  -2.564 -11.289
  217    HA   HIS  32           HA       HIS  32   1.519  -4.009 -13.482
  218   1HB   HIS  32          2HB       HIS  32  -1.278  -3.229 -12.830
  219   2HB   HIS  32          1HB       HIS  32  -0.860  -3.227 -14.537
  220    HD2  HIS  32           HD2      HIS  32   0.316  -5.883 -15.346
  221    HE1  HIS  32           HE1      HIS  32  -1.940  -7.872 -12.386
  222    HE2  HIS  32           HE2      HIS  32  -0.579  -8.188 -14.508
  223    H    GLU  33           H        GLU  33   0.954  -2.859 -15.730
  224    HA   GLU  33           HA       GLU  33   2.216  -0.235 -15.598
  225   1HB   GLU  33          2HB       GLU  33   1.794  -0.252 -18.111
  226   2HB   GLU  33          1HB       GLU  33   2.766  -1.600 -17.518
  227   1HG   GLU  33          2HG       GLU  33   0.749  -3.033 -17.470
  228   2HG   GLU  33          1HG       GLU  33  -0.219  -1.688 -18.072
  229    H    GLN  34           H        GLN  34  -0.800  -1.255 -14.900
  230    HA   GLN  34           HA       GLN  34  -1.941   1.424 -15.301
  231   1HB   GLN  34          2HB       GLN  34  -2.459  -0.002 -17.377
  232   2HB   GLN  34          1HB       GLN  34  -3.470  -0.983 -16.317
  233   1HG   GLN  34          2HG       GLN  34  -4.255   1.609 -15.703
  234   2HG   GLN  34          1HG       GLN  34  -3.983   1.676 -17.442
  235   1HE2  GLN  34          1HE2      GLN  34  -5.773   1.069 -18.656
  236   2HE2  GLN  34          2HE2      GLN  34  -6.994   0.012 -18.136
  237    H    CYS  35           H        CYS  35  -1.183   0.206 -12.936
  238    HA   CYS  35           HA       CYS  35  -3.837  -0.262 -11.644
  239   1HB   CYS  35          2HB       CYS  35  -1.290  -1.825 -11.324
  240   2HB   CYS  35          1HB       CYS  35  -2.449  -1.746 -10.003
  241    H    PHE  36           H        PHE  36  -0.789   1.292 -11.713
  242    HA   PHE  36           HA       PHE  36  -0.206   2.045  -9.112
  243   1HB   PHE  36          2HB       PHE  36  -0.135   3.588 -11.700
  244   2HB   PHE  36          1HB       PHE  36   0.348   4.346 -10.195
  245    HD1  PHE  36           HD1      PHE  36   0.928   1.187 -12.136
  246    HD2  PHE  36           HD2      PHE  36   2.551   4.153  -9.505
  247    HE1  PHE  36           HE1      PHE  36   3.152   0.103 -12.288
  248    HE2  PHE  36           HE2      PHE  36   4.777   3.073  -9.648
  249    HZ   PHE  36           HZ       PHE  36   5.078   1.046 -11.041
  250    H    VAL  37           H        VAL  37  -1.842   2.441  -7.640
  251    HA   VAL  37           HA       VAL  37  -3.947   4.420  -8.397
  252    HB   VAL  37           HB       VAL  37  -4.850   3.399  -6.055
  253   1HG1  VAL  37          1HG1      VAL  37  -5.216   2.086  -8.766
  254   2HG1  VAL  37          2HG1      VAL  37  -6.032   3.559  -8.251
  255   3HG1  VAL  37          3HG1      VAL  37  -6.348   2.040  -7.415
  256   1HG2  VAL  37          1HG2      VAL  37  -3.850   0.917  -7.384
  257   2HG2  VAL  37          2HG2      VAL  37  -4.244   1.201  -5.691
  258   3HG2  VAL  37          3HG2      VAL  37  -2.726   1.796  -6.353
  259    H    CYS  38           H        CYS  38  -4.681   5.863  -6.674
  260    HA   CYS  38           HA       CYS  38  -2.385   7.036  -5.227
  261   1HB   CYS  38          2HB       CYS  38  -3.985   8.412  -6.596
  262   2HB   CYS  38          1HB       CYS  38  -5.247   8.009  -5.439
  263    H    ALA  39           H        ALA  39  -2.054   6.548  -3.106
  264    HA   ALA  39           HA       ALA  39  -3.703   4.826  -1.576
  265   1HB   ALA  39          1HB       ALA  39  -2.411   6.231   0.367
  266   2HB   ALA  39          2HB       ALA  39  -1.405   6.615  -1.030
  267   3HB   ALA  39          3HB       ALA  39  -1.659   4.934  -0.562
  268    H    GLN  40           H        GLN  40  -4.302   8.028  -2.467
  269    HA   GLN  40           HA       GLN  40  -6.080   8.482  -0.110
  270   1HB   GLN  40          2HB       GLN  40  -5.121  10.472  -2.187
  271   2HB   GLN  40          1HB       GLN  40  -6.035  10.844  -0.724
  272   1HG   GLN  40          2HG       GLN  40  -4.114   9.733   0.570
  273   2HG   GLN  40          1HG       GLN  40  -3.200   9.811  -0.936
  274   1HE2  GLN  40          1HE2      GLN  40  -1.868  11.618  -0.946
  275   2HE2  GLN  40          2HE2      GLN  40  -2.270  13.134  -0.298
  276    H    CYS  41           H        CYS  41  -6.139   9.288  -3.624
  277    HA   CYS  41           HA       CYS  41  -9.079   9.093  -3.587
  278   1HB   CYS  41          2HB       CYS  41  -8.999   9.905  -5.853
  279   2HB   CYS  41          1HB       CYS  41  -7.832  10.838  -4.923
  280    H    PHE  42           H        PHE  42  -6.482   6.979  -4.072
  281    HA   PHE  42           HA       PHE  42  -6.334   4.787  -4.871
  282   1HB   PHE  42          2HB       PHE  42  -9.350   4.794  -4.592
  283   2HB   PHE  42          1HB       PHE  42  -8.277   3.393  -4.578
  284    HD1  PHE  42           HD1      PHE  42 -10.001   5.711  -2.540
  285    HD2  PHE  42           HD2      PHE  42  -6.320   3.506  -2.778
  286    HE1  PHE  42           HE1      PHE  42  -9.687   5.969  -0.095
  287    HE2  PHE  42           HE2      PHE  42  -6.008   3.764  -0.332
  288    HZ   PHE  42           HZ       PHE  42  -7.691   4.996   1.009
  289    H    GLN  43           H        GLN  43  -7.029   7.120  -6.758
  290    HA   GLN  43           HA       GLN  43  -8.519   5.822  -8.914
  291   1HB   GLN  43          2HB       GLN  43  -8.585   8.271  -8.675
  292   2HB   GLN  43          1HB       GLN  43  -6.837   8.353  -8.887
  293   1HG   GLN  43          2HG       GLN  43  -8.045   8.883 -10.991
  294   2HG   GLN  43          1HG       GLN  43  -7.043   7.443 -11.157
  295   1HE2  GLN  43          1HE2      GLN  43 -10.428   8.493 -10.621
  296   2HE2  GLN  43          2HE2      GLN  43 -11.130   7.065 -11.211
  297    H    GLN  44           H        GLN  44  -7.625   4.499 -10.438
  298    HA   GLN  44           HA       GLN  44  -4.736   3.962 -10.308
  299   1HB   GLN  44          2HB       GLN  44  -6.032   2.584 -12.489
  300   2HB   GLN  44          1HB       GLN  44  -5.328   1.909 -11.018
  301   1HG   GLN  44          2HG       GLN  44  -7.503   2.632  -9.845
  302   2HG   GLN  44          1HG       GLN  44  -8.166   2.856 -11.464
  303   1HE2  GLN  44          1HE2      GLN  44  -8.509   0.700  -9.173
  304   2HE2  GLN  44          2HE2      GLN  44  -8.431  -0.762 -10.034
  305    H    PHE  45           H        PHE  45  -3.317   4.202 -12.139
  306    HA   PHE  45           HA       PHE  45  -4.355   5.967 -14.305
  307   1HB   PHE  45          2HB       PHE  45  -1.906   6.369 -12.577
  308   2HB   PHE  45          1HB       PHE  45  -2.132   7.203 -14.116
  309    HD1  PHE  45           HD1      PHE  45  -3.230   6.939 -10.633
  310    HD2  PHE  45           HD2      PHE  45  -4.011   8.772 -14.432
  311    HE1  PHE  45           HE1      PHE  45  -4.701   8.601  -9.528
  312    HE2  PHE  45           HE2      PHE  45  -5.479  10.440 -13.330
  313    HZ   PHE  45           HZ       PHE  45  -5.825  10.353 -10.876
  314    HA   PRO  46           HA       PRO  46  -2.360   2.908 -16.826
  315   1HB   PRO  46          2HB       PRO  46  -2.367   4.678 -19.065
  316   2HB   PRO  46          1HB       PRO  46  -3.497   3.362 -18.734
  317   1HG   PRO  46          2HG       PRO  46  -3.995   6.204 -18.573
  318   2HG   PRO  46          1HG       PRO  46  -5.132   4.882 -18.278
  319   1HD   PRO  46          2HD       PRO  46  -3.915   6.624 -16.333
  320   2HD   PRO  46          1HD       PRO  46  -5.045   5.285 -16.042
  321    H    GLU  47           H        GLU  47  -1.152   5.917 -15.905
  322    HA   GLU  47           HA       GLU  47   1.120   6.346 -17.505
  323   1HB   GLU  47          2HB       GLU  47   0.600   6.794 -14.565
  324   2HB   GLU  47          1HB       GLU  47   2.128   7.261 -15.313
  325   1HG   GLU  47          2HG       GLU  47   1.160   8.939 -16.572
  326   2HG   GLU  47          1HG       GLU  47  -0.400   8.120 -16.659
  327    H    GLY  48           H        GLY  48   0.538   3.900 -15.061
  328   1HA   GLY  48          2HA       GLY  48   1.777   1.963 -14.559
  329   2HA   GLY  48          1HA       GLY  48   2.815   2.341 -15.935
  330    H    LEU  49           H        LEU  49   2.691   5.079 -14.103
  331    HA   LEU  49           HA       LEU  49   4.410   4.529 -11.892
  332   1HB   LEU  49          2HB       LEU  49   5.927   4.023 -13.943
  333   2HB   LEU  49          1HB       LEU  49   5.932   5.768 -14.189
  334    HG   LEU  49           HG       LEU  49   6.590   4.585 -11.492
  335   1HD1  LEU  49          1HD1      LEU  49   8.115   3.518 -13.081
  336   2HD1  LEU  49          2HD1      LEU  49   8.987   4.732 -12.145
  337   3HD1  LEU  49          3HD1      LEU  49   8.493   5.084 -13.802
  338   1HD2  LEU  49          1HD2      LEU  49   6.349   6.889 -11.254
  339   2HD2  LEU  49          2HD2      LEU  49   6.895   7.220 -12.898
  340   3HD2  LEU  49          3HD2      LEU  49   8.064   6.785 -11.652
  341    H    PHE  50           H        PHE  50   3.766   6.201 -10.626
  342    HA   PHE  50           HA       PHE  50   3.759   8.931 -11.825
  343   1HB   PHE  50          2HB       PHE  50   1.726   9.445 -10.421
  344   2HB   PHE  50          1HB       PHE  50   1.435   8.336 -11.751
  345    HD1  PHE  50           HD1      PHE  50   3.284   6.877  -8.969
  346    HD2  PHE  50           HD2      PHE  50  -0.657   7.742 -10.448
  347    HE1  PHE  50           HE1      PHE  50   2.329   5.249  -7.379
  348    HE2  PHE  50           HE2      PHE  50  -1.606   6.103  -8.852
  349    HZ   PHE  50           HZ       PHE  50  -0.109   4.856  -7.320
  350    H    TYR  51           H        TYR  51   2.554   9.268  -8.793
  351    HA   TYR  51           HA       TYR  51   5.259   9.836  -7.712
  352   1HB   TYR  51          2HB       TYR  51   2.639  11.049  -7.439
  353   2HB   TYR  51          1HB       TYR  51   3.326  10.681  -5.858
  354    HD1  TYR  51           HD1      TYR  51   5.879  11.282  -5.562
  355    HD2  TYR  51           HD2      TYR  51   3.294  13.018  -8.519
  356    HE1  TYR  51           HE1      TYR  51   7.416  13.214  -5.767
  357    HE2  TYR  51           HE2      TYR  51   4.830  14.955  -8.724
  358    HH   TYR  51           HH       TYR  51   7.285  15.402  -8.304
  359    H    GLU  52           H        GLU  52   4.795   7.155  -7.851
  360    HA   GLU  52           HA       GLU  52   3.563   5.957  -5.581
  361   1HB   GLU  52          2HB       GLU  52   4.624   5.013  -7.873
  362   2HB   GLU  52          1HB       GLU  52   5.974   4.684  -6.783
  363   1HG   GLU  52          2HG       GLU  52   3.906   3.817  -5.267
  364   2HG   GLU  52          1HG       GLU  52   3.277   3.474  -6.877
  365    H    PHE  53           H        PHE  53   4.757   4.916  -3.729
  366    HA   PHE  53           HA       PHE  53   7.445   5.985  -3.148
  367   1HB   PHE  53          2HB       PHE  53   5.034   7.242  -2.103
  368   2HB   PHE  53          1HB       PHE  53   6.067   6.656  -0.801
  369    HD1  PHE  53           HD1      PHE  53   8.559   7.269  -0.862
  370    HD2  PHE  53           HD2      PHE  53   5.595   9.215  -3.292
  371    HE1  PHE  53           HE1      PHE  53  10.098   9.181  -1.210
  372    HE2  PHE  53           HE2      PHE  53   7.136  11.125  -3.638
  373    HZ   PHE  53           HZ       PHE  53   9.387  11.108  -2.598
  374    H    GLU  54           H        GLU  54   8.041   5.315  -0.774
  375    HA   GLU  54           HA       GLU  54   7.765   2.446  -0.621
  376   1HB   GLU  54          2HB       GLU  54   8.965   4.498   1.250
  377   2HB   GLU  54          1HB       GLU  54   9.002   2.766   1.576
  378   1HG   GLU  54          2HG       GLU  54  11.077   3.292   0.493
  379   2HG   GLU  54          1HG       GLU  54  10.081   2.470  -0.709
  380    H    GLY  55           H        GLY  55   6.057   1.386   0.220
  381   1HA   GLY  55          2HA       GLY  55   4.217   0.887   1.590
  382   2HA   GLY  55          1HA       GLY  55   4.923   1.986   2.777
  383    H    ARG  56           H        ARG  56   4.535   3.525  -0.192
  384    HA   ARG  56           HA       ARG  56   1.796   4.493   0.450
  385   1HB   ARG  56          2HB       ARG  56   4.191   6.291  -0.042
  386   2HB   ARG  56          1HB       ARG  56   2.526   6.831   0.162
  387   1HG   ARG  56          2HG       ARG  56   2.469   5.979   2.437
  388   2HG   ARG  56          1HG       ARG  56   4.067   5.258   2.241
  389   1HD   ARG  56          2HD       ARG  56   4.338   7.976   1.519
  390   2HD   ARG  56          1HD       ARG  56   3.381   7.963   2.997
  391    HE   ARG  56           HE       ARG  56   6.163   7.601   2.919
  392   1HH1  ARG  56          1HH2      ARG  56   3.416   5.828   4.056
  393   2HH1  ARG  56          2HH2      ARG  56   4.328   4.928   5.218
  394   1HH2  ARG  56          2HH1      ARG  56   7.340   6.438   4.431
  395   2HH2  ARG  56          1HH1      ARG  56   6.540   5.272   5.431
  396    H    LYS  57           H        LYS  57   1.154   6.096  -1.438
  397    HA   LYS  57           HA       LYS  57   2.390   5.685  -4.019
  398   1HB   LYS  57          2HB       LYS  57   0.477   4.380  -5.003
  399   2HB   LYS  57          1HB       LYS  57   1.427   3.457  -3.838
  400   1HG   LYS  57          2HG       LYS  57  -0.327   4.412  -2.107
  401   2HG   LYS  57          1HG       LYS  57  -1.330   4.611  -3.543
  402   1HD   LYS  57          2HD       LYS  57   0.064   1.993  -3.128
  403   2HD   LYS  57          1HD       LYS  57  -1.371   2.346  -2.167
  404   1HE   LYS  57          2HE       LYS  57  -2.417   3.049  -4.474
  405   2HE   LYS  57          1HE       LYS  57  -1.117   2.053  -5.143
  406   1HZ   LYS  57          1HZ       LYS  57  -1.966   0.390  -3.321
  407   2HZ   LYS  57          2HZ       LYS  57  -2.709   0.477  -4.845
  408   3HZ   LYS  57          3HZ       LYS  57  -3.411   1.258  -3.509
  409    H    TYR  58           H        TYR  58   1.834   7.500  -5.159
  410    HA   TYR  58           HA       TYR  58  -0.904   8.611  -4.817
  411   1HB   TYR  58          2HB       TYR  58   1.530  10.394  -4.673
  412   2HB   TYR  58          1HB       TYR  58  -0.144  10.825  -4.332
  413    HD1  TYR  58           HD1      TYR  58   2.948   9.617  -2.972
  414    HD2  TYR  58           HD2      TYR  58  -1.306   9.639  -2.360
  415    HE1  TYR  58           HE1      TYR  58   3.296   9.051  -0.592
  416    HE2  TYR  58           HE2      TYR  58  -0.960   9.060   0.031
  417    HH   TYR  58           HH       TYR  58   1.253   7.752   1.305
  418    H    CYS  59           H        CYS  59  -1.579   9.889  -6.566
  419    HA   CYS  59           HA       CYS  59   0.050   9.541  -9.033
  420   1HB   CYS  59          2HB       CYS  59  -2.165  10.321 -10.113
  421   2HB   CYS  59          1HB       CYS  59  -2.158   8.718  -9.375
  422    H    GLU  60           H        GLU  60  -0.528  11.605 -10.578
  423    HA   GLU  60           HA       GLU  60   0.734  13.860  -9.273
  424   1HB   GLU  60          2HB       GLU  60   0.585  13.140 -11.842
  425   2HB   GLU  60          1HB       GLU  60  -0.817  14.207 -11.816
  426   1HG   GLU  60          2HG       GLU  60   0.738  15.829 -12.228
  427   2HG   GLU  60          1HG       GLU  60   0.985  15.750 -10.484
  428    H    HIS  61           H        HIS  61  -2.186  12.708  -8.618
  429    HA   HIS  61           HA       HIS  61  -3.759  15.169  -8.885
  430   1HB   HIS  61          2HB       HIS  61  -5.353  13.557  -8.967
  431   2HB   HIS  61          1HB       HIS  61  -4.275  12.355  -8.274
  432    HD2  HIS  61           HD2      HIS  61  -6.202  15.472  -6.673
  433    HE1  HIS  61           HE1      HIS  61  -6.482  12.167  -4.064
  434    HE2  HIS  61           HE2      HIS  61  -7.128  14.597  -4.396
  435    H    ASP  62           H        ASP  62  -3.292  13.192  -5.931
  436    HA   ASP  62           HA       ASP  62  -3.655  15.410  -4.179
  437   1HB   ASP  62          2HB       ASP  62  -3.008  12.610  -3.933
  438   2HB   ASP  62          1HB       ASP  62  -1.930  13.552  -2.908
  439    H    PHE  63           H        PHE  63  -0.828  14.095  -5.765
  440    HA   PHE  63           HA       PHE  63   1.062  15.652  -4.235
  441   1HB   PHE  63          2HB       PHE  63   1.129  13.707  -6.432
  442   2HB   PHE  63          1HB       PHE  63   2.437  14.880  -6.430
  443    HD1  PHE  63           HD1      PHE  63   0.438  13.049  -3.844
  444    HD2  PHE  63           HD2      PHE  63   4.316  14.189  -5.247
  445    HE1  PHE  63           HE1      PHE  63   1.469  11.895  -1.911
  446    HE2  PHE  63           HE2      PHE  63   5.354  13.009  -3.330
  447    HZ   PHE  63           HZ       PHE  63   3.934  11.871  -1.656
  448    H    GLN  64           H        GLN  64  -0.567  16.204  -7.407
  449    HA   GLN  64           HA       GLN  64   1.125  18.499  -7.977
  450   1HB   GLN  64          2HB       GLN  64  -0.388  19.065  -9.727
  451   2HB   GLN  64          1HB       GLN  64  -0.369  17.308  -9.687
  452   1HG   GLN  64          2HG       GLN  64  -2.646  17.547  -9.646
  453   2HG   GLN  64          1HG       GLN  64  -2.387  17.821  -7.926
  454   1HE2  GLN  64          1HE2      GLN  64  -2.459  19.663 -11.028
  455   2HE2  GLN  64          2HE2      GLN  64  -3.119  21.070 -10.345
  456    H    MET  65           H        MET  65  -1.616  17.907  -5.965
  457    HA   MET  65           HA       MET  65  -2.484  20.628  -5.594
  458   1HB   MET  65          2HB       MET  65  -2.940  18.011  -4.292
  459   2HB   MET  65          1HB       MET  65  -3.023  19.385  -3.190
  460   1HG   MET  65          2HG       MET  65  -5.235  19.152  -4.015
  461   2HG   MET  65          1HG       MET  65  -4.553  20.481  -4.951
  462   1HE   MET  65          1HE       MET  65  -6.883  19.691  -6.267
  463   2HE   MET  65          2HE       MET  65  -6.424  19.208  -7.898
  464   3HE   MET  65          3HE       MET  65  -5.626  20.582  -7.137
  465    H    LEU  66           H        LEU  66  -0.116  18.520  -4.006
  466    HA   LEU  66           HA       LEU  66   0.721  20.480  -2.031
  467   1HB   LEU  66          2HB       LEU  66   2.590  18.379  -3.115
  468   2HB   LEU  66          1HB       LEU  66   2.410  18.953  -1.458
  469    HG   LEU  66           HG       LEU  66   0.470  17.200  -2.982
  470   1HD1  LEU  66          1HD1      LEU  66   2.118  16.655  -0.495
  471   2HD1  LEU  66          2HD1      LEU  66   2.529  16.090  -2.116
  472   3HD1  LEU  66          3HD1      LEU  66   1.064  15.510  -1.324
  473   1HD2  LEU  66          1HD2      LEU  66  -0.635  17.107  -0.646
  474   2HD2  LEU  66          2HD2      LEU  66  -0.887  18.574  -1.591
  475   3HD2  LEU  66          3HD2      LEU  66   0.299  18.558  -0.284
  476    H    PHE  67           H        PHE  67   1.218  19.980  -5.376
  477    HA   PHE  67           HA       PHE  67   2.359  21.207  -6.984
  478   1HB   PHE  67          2HB       PHE  67   1.724  23.074  -5.087
  479   2HB   PHE  67          1HB       PHE  67   3.481  23.200  -5.098
  480    HD1  PHE  67           HD1      PHE  67   0.417  23.948  -6.869
  481    HD2  PHE  67           HD2      PHE  67   4.672  23.567  -7.318
  482    HE1  PHE  67           HE1      PHE  67   0.310  25.236  -8.986
  483    HE2  PHE  67           HE2      PHE  67   4.565  24.855  -9.433
  484    HZ   PHE  67           HZ       PHE  67   2.383  25.689 -10.268
  485    H    ALA  68           H        ALA  68   3.634  19.011  -5.949
  486    HA   ALA  68           HA       ALA  68   6.263  19.518  -4.913
  487   1HB   ALA  68          1HB       ALA  68   5.244  17.150  -6.513
  488   2HB   ALA  68          2HB       ALA  68   5.171  17.309  -4.758
  489   3HB   ALA  68          3HB       ALA  68   6.733  17.184  -5.568
  490    HA   PRO  69           HA       PRO  69   7.979  21.202  -8.667
  491   1HB   PRO  69          2HB       PRO  69  10.627  20.908  -7.610
  492   2HB   PRO  69          1HB       PRO  69   9.653  22.383  -7.689
  493   1HG   PRO  69          2HG       PRO  69  10.313  20.820  -5.348
  494   2HG   PRO  69          1HG       PRO  69   9.375  22.316  -5.429
  495   1HD   PRO  69          2HD       PRO  69   8.401  19.648  -4.943
  496   2HD   PRO  69          1HD       PRO  69   7.461  21.153  -5.035
  497    H    CYS  70           H        CYS  70   8.487  18.113  -7.315
  498    HA   CYS  70           HA       CYS  70   9.246  16.087  -8.213
  499   1HB   CYS  70          2HB       CYS  70   9.124  17.435 -10.919
  500   2HB   CYS  70          1HB       CYS  70   8.881  15.731 -10.539
  501    HG   CYS  70           HG       CYS  70   6.843  17.691  -9.285
  Start of MODEL   24
    1    H    MET   1           1H       MET   1   3.503 -21.038 -23.178
    2    HA   MET   1           HA       MET   1   2.639 -21.889 -20.998
    3   1HB   MET   1          2HB       MET   1   5.001 -22.843 -20.481
    4   2HB   MET   1          1HB       MET   1   5.402 -21.194 -19.999
    5   1HG   MET   1          2HG       MET   1   4.674 -22.266 -18.001
    6   2HG   MET   1          1HG       MET   1   3.306 -21.282 -18.521
    7   1HE   MET   1          1HE       MET   1   0.541 -23.588 -18.371
    8   2HE   MET   1          2HE       MET   1   1.103 -22.028 -18.965
    9   3HE   MET   1          3HE       MET   1   1.442 -22.502 -17.302
   10    H    ALA   2           H        ALA   2   5.251 -19.456 -21.345
   11    HA   ALA   2           HA       ALA   2   5.222 -17.135 -21.035
   12   1HB   ALA   2          1HB       ALA   2   2.239 -17.199 -21.460
   13   2HB   ALA   2          2HB       ALA   2   3.342 -17.520 -22.798
   14   3HB   ALA   2          3HB       ALA   2   3.402 -15.970 -21.960
   15    H    ASN   3           H        ASN   3   4.457 -19.082 -18.782
   16    HA   ASN   3           HA       ASN   3   2.911 -17.206 -17.052
   17   1HB   ASN   3          2HB       ASN   3   2.091 -19.528 -17.139
   18   2HB   ASN   3          1HB       ASN   3   3.674 -20.112 -16.622
   19   1HD2  ASN   3          1HD2      ASN   3   3.704 -20.572 -14.425
   20   2HD2  ASN   3          2HD2      ASN   3   2.829 -19.735 -13.236
   21    H    ALA   4           H        ALA   4   5.972 -18.997 -17.236
   22    HA   ALA   4           HA       ALA   4   7.981 -18.729 -16.060
   23   1HB   ALA   4          1HB       ALA   4   7.524 -16.366 -17.051
   24   2HB   ALA   4          2HB       ALA   4   8.709 -16.509 -15.753
   25   3HB   ALA   4          3HB       ALA   4   7.083 -15.926 -15.401
   26    H    LEU   5           H        LEU   5   5.584 -19.654 -14.617
   27    HA   LEU   5           HA       LEU   5   4.933 -20.137 -12.422
   28   1HB   LEU   5          2HB       LEU   5   7.473 -20.624 -12.374
   29   2HB   LEU   5          1HB       LEU   5   7.623 -19.075 -11.545
   30    HG   LEU   5           HG       LEU   5   5.676 -20.072 -10.037
   31   1HD1  LEU   5          1HD1      LEU   5   5.423 -22.127 -11.384
   32   2HD1  LEU   5          2HD1      LEU   5   5.944 -22.508  -9.744
   33   3HD1  LEU   5          3HD1      LEU   5   7.107 -22.543 -11.069
   34   1HD2  LEU   5          1HD2      LEU   5   7.424 -20.952  -8.506
   35   2HD2  LEU   5          2HD2      LEU   5   7.900 -19.413  -9.222
   36   3HD2  LEU   5          3HD2      LEU   5   8.585 -20.918  -9.833
   37    H    ALA   6           H        ALA   6   3.602 -18.048 -12.984
   38    HA   ALA   6           HA       ALA   6   4.283 -15.544 -11.783
   39   1HB   ALA   6          1HB       ALA   6   1.556 -16.747 -12.357
   40   2HB   ALA   6          2HB       ALA   6   2.494 -15.731 -13.451
   41   3HB   ALA   6          3HB       ALA   6   1.848 -15.055 -11.956
   42    H    SER   7           H        SER   7   4.980 -15.751  -9.652
   43    HA   SER   7           HA       SER   7   3.019 -16.907  -7.707
   44   1HB   SER   7          2HB       SER   7   5.997 -16.526  -7.299
   45   2HB   SER   7          1HB       SER   7   4.885 -17.416  -6.262
   46    HG   SER   7           HG       SER   7   5.490 -18.029  -8.973
   47    H    ALA   8           H        ALA   8   2.792 -14.230  -8.699
   48    HA   ALA   8           HA       ALA   8   2.934 -12.782  -6.143
   49   1HB   ALA   8          1HB       ALA   8   5.170 -12.377  -7.179
   50   2HB   ALA   8          2HB       ALA   8   4.219 -10.899  -7.033
   51   3HB   ALA   8          3HB       ALA   8   4.362 -11.703  -8.596
   52    H    THR   9           H        THR   9   1.405 -11.103  -6.067
   53    HA   THR   9           HA       THR   9  -0.250 -10.762  -8.539
   54    HB   THR   9           HB       THR   9  -2.214 -10.534  -7.106
   55    HG1  THR   9           HG1      THR   9  -1.090  -9.602  -5.329
   56   1HG2  THR   9          1HG2      THR   9  -1.472 -12.824  -7.771
   57   2HG2  THR   9          2HG2      THR   9  -2.353 -12.806  -6.244
   58   3HG2  THR   9          3HG2      THR   9  -0.596 -12.947  -6.245
   59    H    CYS  10           H        CYS  10  -1.415  -8.654  -8.608
   60    HA   CYS  10           HA       CYS  10   0.374  -6.455  -8.215
   61   1HB   CYS  10          2HB       CYS  10  -1.514  -6.643  -9.902
   62   2HB   CYS  10          1HB       CYS  10  -2.606  -6.258  -8.581
   63    H    GLU  11           H        GLU  11   0.445  -4.858  -6.698
   64    HA   GLU  11           HA       GLU  11  -0.588  -5.531  -4.046
   65   1HB   GLU  11          2HB       GLU  11   1.706  -4.650  -4.451
   66   2HB   GLU  11          1HB       GLU  11   0.999  -3.136  -5.017
   67   1HG   GLU  11          2HG       GLU  11   1.773  -3.197  -2.566
   68   2HG   GLU  11          1HG       GLU  11   0.133  -2.625  -2.841
   69    H    ARG  12           H        ARG  12  -2.290  -4.425  -6.440
   70    HA   ARG  12           HA       ARG  12  -3.877  -2.572  -4.742
   71   1HB   ARG  12          2HB       ARG  12  -4.141  -1.379  -7.201
   72   2HB   ARG  12          1HB       ARG  12  -3.045  -0.815  -5.945
   73   1HG   ARG  12          2HG       ARG  12  -1.391  -2.587  -6.998
   74   2HG   ARG  12          1HG       ARG  12  -2.435  -2.424  -8.402
   75   1HD   ARG  12          2HD       ARG  12  -1.387  -0.521  -8.950
   76   2HD   ARG  12          1HD       ARG  12  -1.877   0.202  -7.423
   77    HE   ARG  12           HE       ARG  12   0.768  -0.589  -8.123
   78   1HH1  ARG  12          1HH2      ARG  12  -1.470  -1.031  -5.530
   79   2HH1  ARG  12          2HH2      ARG  12  -0.239  -1.374  -4.366
   80   1HH2  ARG  12          2HH1      ARG  12   2.364  -1.037  -6.612
   81   2HH2  ARG  12          1HH1      ARG  12   1.920  -1.374  -4.973
   82    H    CYS  13           H        CYS  13  -3.651  -4.278  -7.846
   83    HA   CYS  13           HA       CYS  13  -6.600  -4.685  -7.815
   84   1HB   CYS  13          2HB       CYS  13  -6.483  -4.879 -10.107
   85   2HB   CYS  13          1HB       CYS  13  -5.025  -3.924  -9.864
   86    H    LYS  14           H        LYS  14  -3.686  -6.224  -7.010
   87    HA   LYS  14           HA       LYS  14  -3.143  -8.413  -6.412
   88   1HB   LYS  14          2HB       LYS  14  -6.126  -8.331  -5.955
   89   2HB   LYS  14          1HB       LYS  14  -5.205  -9.806  -5.668
   90   1HG   LYS  14          2HG       LYS  14  -5.105  -8.799  -3.568
   91   2HG   LYS  14          1HG       LYS  14  -3.614  -8.210  -4.303
   92   1HD   LYS  14          2HD       LYS  14  -5.485  -6.348  -5.144
   93   2HD   LYS  14          1HD       LYS  14  -6.017  -6.721  -3.505
   94   1HE   LYS  14          2HE       LYS  14  -3.192  -5.927  -4.274
   95   2HE   LYS  14          1HE       LYS  14  -4.383  -4.848  -3.549
   96   1HZ   LYS  14          1HZ       LYS  14  -3.510  -7.391  -2.299
   97   2HZ   LYS  14          2HZ       LYS  14  -4.436  -6.154  -1.592
   98   3HZ   LYS  14          3HZ       LYS  14  -2.796  -5.891  -1.955
   99    H    GLY  15           H        GLY  15  -3.203  -7.966  -9.139
  100   1HA   GLY  15          2HA       GLY  15  -4.632 -10.306 -10.301
  101   2HA   GLY  15          1HA       GLY  15  -3.895  -8.996 -11.225
  102    H    GLY  16           H        GLY  16  -3.487 -12.170 -10.451
  103   1HA   GLY  16          2HA       GLY  16  -0.758 -12.458  -9.775
  104   2HA   GLY  16          1HA       GLY  16  -1.679 -13.642 -10.701
  105    H    PHE  17           H        PHE  17   0.649 -11.085 -10.878
  106    HA   PHE  17           HA       PHE  17   0.680 -11.308 -13.852
  107   1HB   PHE  17          2HB       PHE  17   2.239  -9.241 -13.620
  108   2HB   PHE  17          1HB       PHE  17   0.514  -9.023 -13.390
  109    HD1  PHE  17           HD1      PHE  17   0.944  -6.937 -12.110
  110    HD2  PHE  17           HD2      PHE  17   2.435 -10.742 -10.758
  111    HE1  PHE  17           HE1      PHE  17   1.403  -5.973  -9.891
  112    HE2  PHE  17           HE2      PHE  17   2.882  -9.762  -8.533
  113    HZ   PHE  17           HZ       PHE  17   2.364  -7.380  -8.100
  114    H    ALA  18           H        ALA  18   3.230 -10.658 -14.477
  115    HA   ALA  18           HA       ALA  18   5.256 -11.907 -12.892
  116   1HB   ALA  18          1HB       ALA  18   3.606 -13.712 -14.441
  117   2HB   ALA  18          2HB       ALA  18   4.916 -14.089 -13.324
  118   3HB   ALA  18          3HB       ALA  18   5.272 -13.761 -15.019
  119    HA   PRO  19           HA       PRO  19   6.849 -11.224 -17.458
  120   1HB   PRO  19          2HB       PRO  19   4.763  -9.705 -18.775
  121   2HB   PRO  19          1HB       PRO  19   5.493 -11.234 -19.276
  122   1HG   PRO  19          2HG       PRO  19   2.869 -10.844 -18.202
  123   2HG   PRO  19          1HG       PRO  19   3.648 -12.382 -18.591
  124   1HD   PRO  19          2HD       PRO  19   3.086 -11.284 -15.983
  125   2HD   PRO  19          1HD       PRO  19   3.821 -12.849 -16.373
  126    H    ALA  20           H        ALA  20   8.064  -9.355 -17.852
  127    HA   ALA  20           HA       ALA  20   8.083  -7.269 -15.962
  128   1HB   ALA  20          1HB       ALA  20  10.001  -7.815 -17.405
  129   2HB   ALA  20          2HB       ALA  20   9.599  -6.102 -17.518
  130   3HB   ALA  20          3HB       ALA  20   9.123  -7.205 -18.808
  131    H    GLU  21           H        GLU  21   6.221  -7.520 -18.938
  132    HA   GLU  21           HA       GLU  21   5.564  -4.704 -19.092
  133   1HB   GLU  21          2HB       GLU  21   3.662  -5.556 -20.570
  134   2HB   GLU  21          1HB       GLU  21   5.291  -5.961 -21.107
  135   1HG   GLU  21          2HG       GLU  21   4.085  -7.934 -19.268
  136   2HG   GLU  21          1HG       GLU  21   3.263  -7.782 -20.820
  137    H    LYS  22           H        LYS  22   4.221  -7.495 -17.440
  138    HA   LYS  22           HA       LYS  22   1.961  -5.840 -16.453
  139   1HB   LYS  22          2HB       LYS  22   2.529  -8.805 -16.446
  140   2HB   LYS  22          1HB       LYS  22   1.273  -8.110 -15.422
  141   1HG   LYS  22          2HG       LYS  22   0.555  -6.926 -17.695
  142   2HG   LYS  22          1HG       LYS  22   1.391  -8.306 -18.406
  143   1HD   LYS  22          2HD       LYS  22  -0.628  -8.719 -16.207
  144   2HD   LYS  22          1HD       LYS  22  -1.155  -8.528 -17.879
  145   1HE   LYS  22          2HE       LYS  22   0.930 -10.549 -17.013
  146   2HE   LYS  22          1HE       LYS  22  -0.786 -10.927 -17.164
  147   1HZ   LYS  22          1HZ       LYS  22   1.094 -10.962 -19.171
  148   2HZ   LYS  22          2HZ       LYS  22   0.170  -9.568 -19.468
  149   3HZ   LYS  22          3HZ       LYS  22  -0.589 -11.083 -19.353
  150    H    ILE  23           H        ILE  23   5.034  -7.057 -15.524
  151    HA   ILE  23           HA       ILE  23   4.440  -6.594 -12.639
  152    HB   ILE  23           HB       ILE  23   6.422  -8.255 -14.131
  153   1HG1  ILE  23          2HG1      ILE  23   4.354  -9.108 -12.936
  154   2HG1  ILE  23          1HG1      ILE  23   5.862  -9.875 -12.444
  155   1HG2  ILE  23          1HG2      ILE  23   7.725  -8.356 -11.862
  156   2HG2  ILE  23          2HG2      ILE  23   7.039  -6.754 -11.596
  157   3HG2  ILE  23          3HG2      ILE  23   8.074  -7.048 -12.992
  158   1HD1  ILE  23          1HD1      ILE  23   4.777  -9.395 -10.401
  159   2HD1  ILE  23          2HD1      ILE  23   4.235  -7.813 -10.959
  160   3HD1  ILE  23          3HD1      ILE  23   5.936  -8.079 -10.579
  161    H    VAL  24           H        VAL  24   4.779  -4.511 -12.103
  162    HA   VAL  24           HA       VAL  24   7.311  -3.213 -13.027
  163    HB   VAL  24           HB       VAL  24   4.801  -1.623 -12.510
  164   1HG1  VAL  24          1HG1      VAL  24   7.249  -1.181 -14.248
  165   2HG1  VAL  24          2HG1      VAL  24   6.968  -0.456 -12.665
  166   3HG1  VAL  24          3HG1      VAL  24   5.929  -0.033 -14.025
  167   1HG2  VAL  24          1HG2      VAL  24   4.100  -3.205 -14.210
  168   2HG2  VAL  24          2HG2      VAL  24   5.607  -2.989 -15.100
  169   3HG2  VAL  24          3HG2      VAL  24   4.437  -1.672 -15.014
  170    H    ASN  25           H        ASN  25   8.523  -3.035 -11.184
  171    HA   ASN  25           HA       ASN  25   7.097  -2.627  -8.609
  172   1HB   ASN  25          2HB       ASN  25   8.576  -4.374  -8.261
  173   2HB   ASN  25          1HB       ASN  25   9.782  -3.719  -9.369
  174   1HD2  ASN  25          1HD2      ASN  25   8.210  -2.874  -6.224
  175   2HD2  ASN  25          2HD2      ASN  25   9.612  -2.206  -5.538
  176    H    SER  26           H        SER  26   7.641  -0.899  -7.238
  177    HA   SER  26           HA       SER  26   9.571   1.121  -8.158
  178   1HB   SER  26          2HB       SER  26   8.069   2.813  -8.655
  179   2HB   SER  26          1HB       SER  26   7.131   1.423  -9.194
  180    HG   SER  26           HG       SER  26   6.591   3.188  -7.249
  181    H    ASN  27           H        ASN  27  10.525   2.002  -6.385
  182    HA   ASN  27           HA       ASN  27  10.912   2.611  -4.156
  183   1HB   ASN  27          2HB       ASN  27   8.032   2.174  -3.447
  184   2HB   ASN  27          1HB       ASN  27   9.144   3.418  -2.883
  185   1HD2  ASN  27          1HD2      ASN  27   6.468   3.037  -4.799
  186   2HD2  ASN  27          2HD2      ASN  27   6.708   4.322  -5.881
  187    H    GLY  28           H        GLY  28   8.227   0.299  -3.882
  188   1HA   GLY  28          2HA       GLY  28   9.829  -1.960  -3.174
  189   2HA   GLY  28          1HA       GLY  28   9.286  -1.159  -1.697
  190    H    GLU  29           H        GLU  29   7.477  -1.291  -4.725
  191    HA   GLU  29           HA       GLU  29   5.579  -3.261  -3.548
  192   1HB   GLU  29          2HB       GLU  29   5.099  -0.390  -4.012
  193   2HB   GLU  29          1HB       GLU  29   3.882  -1.441  -4.733
  194   1HG   GLU  29          2HG       GLU  29   3.627  -2.586  -2.529
  195   2HG   GLU  29          1HG       GLU  29   4.755  -1.425  -1.830
  196    H    LEU  30           H        LEU  30   3.896  -3.875  -5.315
  197    HA   LEU  30           HA       LEU  30   5.283  -3.913  -7.970
  198   1HB   LEU  30          2HB       LEU  30   3.705  -5.960  -6.459
  199   2HB   LEU  30          1HB       LEU  30   3.563  -5.940  -8.214
  200    HG   LEU  30           HG       LEU  30   5.348  -7.472  -7.463
  201   1HD1  LEU  30          1HD1      LEU  30   6.931  -6.815  -9.079
  202   2HD1  LEU  30          2HD1      LEU  30   6.685  -5.100  -8.757
  203   3HD1  LEU  30          3HD1      LEU  30   5.451  -6.021  -9.614
  204   1HD2  LEU  30          1HD2      LEU  30   7.184  -6.784  -6.183
  205   2HD2  LEU  30          2HD2      LEU  30   5.867  -5.872  -5.446
  206   3HD2  LEU  30          3HD2      LEU  30   6.956  -5.084  -6.587
  207    H    TYR  31           H        TYR  31   4.204  -2.973  -9.629
  208    HA   TYR  31           HA       TYR  31   1.272  -2.478  -9.304
  209   1HB   TYR  31          2HB       TYR  31   3.085  -0.542 -10.747
  210   2HB   TYR  31          1HB       TYR  31   1.465  -0.262 -10.130
  211    HD1  TYR  31           HD1      TYR  31   4.816  -1.334  -8.747
  212    HD2  TYR  31           HD2      TYR  31   1.326   1.129  -8.285
  213    HE1  TYR  31           HE1      TYR  31   5.785  -0.352  -6.696
  214    HE2  TYR  31           HE2      TYR  31   2.291   2.105  -6.222
  215    HH   TYR  31           HH       TYR  31   4.002   1.384  -4.470
  216    H    HIS  32           H        HIS  32   0.071  -2.764 -11.157
  217    HA   HIS  32           HA       HIS  32   1.275  -4.263 -13.355
  218   1HB   HIS  32          2HB       HIS  32  -1.437  -3.309 -12.621
  219   2HB   HIS  32          1HB       HIS  32  -1.133  -3.440 -14.346
  220    HD2  HIS  32           HD2      HIS  32   0.037  -6.214 -14.939
  221    HE1  HIS  32           HE1      HIS  32  -2.363  -7.859 -11.879
  222    HE2  HIS  32           HE2      HIS  32  -0.975  -8.404 -13.936
  223    H    GLU  33           H        GLU  33   0.782  -3.324 -15.689
  224    HA   GLU  33           HA       GLU  33   2.092  -0.728 -15.789
  225   1HB   GLU  33          2HB       GLU  33   1.791  -0.951 -18.267
  226   2HB   GLU  33          1HB       GLU  33   2.561  -2.367 -17.553
  227   1HG   GLU  33          2HG       GLU  33   0.231  -3.402 -17.403
  228   2HG   GLU  33          1HG       GLU  33  -0.323  -2.075 -18.423
  229    H    GLN  34           H        GLN  34  -0.915  -1.522 -14.945
  230    HA   GLN  34           HA       GLN  34  -1.969   1.125 -15.616
  231   1HB   GLN  34          2HB       GLN  34  -2.533  -0.497 -17.557
  232   2HB   GLN  34          1HB       GLN  34  -3.633  -1.268 -16.414
  233   1HG   GLN  34          2HG       GLN  34  -4.955   0.688 -16.189
  234   2HG   GLN  34          1HG       GLN  34  -3.707   1.712 -16.898
  235   1HE2  GLN  34          1HE2      GLN  34  -6.356  -0.477 -17.638
  236   2HE2  GLN  34          2HE2      GLN  34  -6.313  -0.262 -19.321
  237    H    CYS  35           H        CYS  35  -1.256   0.158 -13.164
  238    HA   CYS  35           HA       CYS  35  -3.908  -0.148 -11.830
  239   1HB   CYS  35          2HB       CYS  35  -1.405  -1.767 -11.376
  240   2HB   CYS  35          1HB       CYS  35  -2.577  -1.537 -10.083
  241    H    PHE  36           H        PHE  36  -0.855   1.365 -12.061
  242    HA   PHE  36           HA       PHE  36  -0.158   2.278  -9.544
  243   1HB   PHE  36          2HB       PHE  36  -0.295   3.742 -12.184
  244   2HB   PHE  36          1HB       PHE  36   0.342   4.510 -10.739
  245    HD1  PHE  36           HD1      PHE  36   0.677   1.382 -12.768
  246    HD2  PHE  36           HD2      PHE  36   2.585   4.198 -10.170
  247    HE1  PHE  36           HE1      PHE  36   2.843   0.231 -13.114
  248    HE2  PHE  36           HE2      PHE  36   4.756   3.046 -10.511
  249    HZ   PHE  36           HZ       PHE  36   4.883   1.060 -11.983
  250    H    VAL  37           H        VAL  37  -1.940   2.519  -8.106
  251    HA   VAL  37           HA       VAL  37  -3.952   4.608  -8.814
  252    HB   VAL  37           HB       VAL  37  -5.007   3.524  -6.590
  253   1HG1  VAL  37          1HG1      VAL  37  -5.211   2.217  -9.319
  254   2HG1  VAL  37          2HG1      VAL  37  -6.013   3.724  -8.884
  255   3HG1  VAL  37          3HG1      VAL  37  -6.439   2.228  -8.056
  256   1HG2  VAL  37          1HG2      VAL  37  -2.863   1.876  -6.868
  257   2HG2  VAL  37          2HG2      VAL  37  -4.049   1.006  -7.834
  258   3HG2  VAL  37          3HG2      VAL  37  -4.386   1.373  -6.145
  259    H    CYS  38           H        CYS  38  -4.702   5.992  -7.060
  260    HA   CYS  38           HA       CYS  38  -2.436   7.033  -5.477
  261   1HB   CYS  38          2HB       CYS  38  -4.129   8.451  -6.809
  262   2HB   CYS  38          1HB       CYS  38  -5.267   8.088  -5.515
  263    H    ALA  39           H        ALA  39  -2.183   6.516  -3.358
  264    HA   ALA  39           HA       ALA  39  -3.672   4.594  -1.970
  265   1HB   ALA  39          1HB       ALA  39  -2.390   5.127  -0.094
  266   2HB   ALA  39          2HB       ALA  39  -2.394   6.853  -0.456
  267   3HB   ALA  39          3HB       ALA  39  -1.387   5.756  -1.400
  268    H    GLN  40           H        GLN  40  -4.579   7.875  -2.583
  269    HA   GLN  40           HA       GLN  40  -6.671   7.696  -0.451
  270   1HB   GLN  40          2HB       GLN  40  -5.982  10.239  -1.902
  271   2HB   GLN  40          1HB       GLN  40  -6.687  10.033  -0.301
  272   1HG   GLN  40          2HG       GLN  40  -4.486   8.944   0.392
  273   2HG   GLN  40          1HG       GLN  40  -3.823   9.515  -1.138
  274   1HE2  GLN  40          1HE2      GLN  40  -2.395  11.105  -0.217
  275   2HE2  GLN  40          2HE2      GLN  40  -2.966  12.481   0.594
  276    H    CYS  41           H        CYS  41  -6.421   9.346  -3.646
  277    HA   CYS  41           HA       CYS  41  -9.269   9.071  -4.090
  278   1HB   CYS  41          2HB       CYS  41  -8.896  10.121  -6.196
  279   2HB   CYS  41          1HB       CYS  41  -7.738  10.856  -5.090
  280    H    PHE  42           H        PHE  42  -6.682   6.909  -4.416
  281    HA   PHE  42           HA       PHE  42  -6.472   4.801  -5.414
  282   1HB   PHE  42          2HB       PHE  42  -9.493   4.924  -5.193
  283   2HB   PHE  42          1HB       PHE  42  -8.550   3.462  -5.482
  284    HD1  PHE  42           HD1      PHE  42 -10.151   5.282  -2.988
  285    HD2  PHE  42           HD2      PHE  42  -6.444   3.249  -3.753
  286    HE1  PHE  42           HE1      PHE  42  -9.786   5.028  -0.549
  287    HE2  PHE  42           HE2      PHE  42  -6.079   2.998  -1.314
  288    HZ   PHE  42           HZ       PHE  42  -7.750   3.887   0.289
  289    H    GLN  43           H        GLN  43  -7.010   7.269  -7.178
  290    HA   GLN  43           HA       GLN  43  -8.376   6.153  -9.511
  291   1HB   GLN  43          2HB       GLN  43  -8.259   8.631  -8.932
  292   2HB   GLN  43          1HB       GLN  43  -6.565   8.583  -9.418
  293   1HG   GLN  43          2HG       GLN  43  -7.087   8.129 -11.664
  294   2HG   GLN  43          1HG       GLN  43  -8.700   7.539 -11.268
  295   1HE2  GLN  43          1HE2      GLN  43 -10.002   9.449  -9.965
  296   2HE2  GLN  43          2HE2      GLN  43  -9.955  10.950 -10.755
  297    H    GLN  44           H        GLN  44  -7.403   4.822 -10.985
  298    HA   GLN  44           HA       GLN  44  -4.569   4.205 -10.704
  299   1HB   GLN  44          2HB       GLN  44  -5.147   2.795 -12.838
  300   2HB   GLN  44          1HB       GLN  44  -5.763   2.297 -11.272
  301   1HG   GLN  44          2HG       GLN  44  -7.933   3.072 -11.734
  302   2HG   GLN  44          1HG       GLN  44  -7.374   4.153 -13.013
  303   1HE2  GLN  44          1HE2      GLN  44  -7.515   3.355 -15.125
  304   2HE2  GLN  44          2HE2      GLN  44  -7.764   1.725 -15.527
  305    H    PHE  45           H        PHE  45  -3.154   4.183 -12.676
  306    HA   PHE  45           HA       PHE  45  -3.788   6.209 -14.721
  307   1HB   PHE  45          2HB       PHE  45  -1.621   6.530 -12.642
  308   2HB   PHE  45          1HB       PHE  45  -1.540   7.353 -14.201
  309    HD1  PHE  45           HD1      PHE  45  -3.009   7.359 -10.900
  310    HD2  PHE  45           HD2      PHE  45  -3.486   8.825 -14.903
  311    HE1  PHE  45           HE1      PHE  45  -4.566   9.102 -10.074
  312    HE2  PHE  45           HE2      PHE  45  -5.041  10.574 -14.080
  313    HZ   PHE  45           HZ       PHE  45  -5.582  10.710 -11.663
  314    HA   PRO  46           HA       PRO  46  -1.507   2.921 -16.770
  315   1HB   PRO  46          2HB       PRO  46  -1.900   4.245 -19.263
  316   2HB   PRO  46          1HB       PRO  46  -2.795   2.857 -18.634
  317   1HG   PRO  46          2HG       PRO  46  -3.720   5.587 -18.921
  318   2HG   PRO  46          1HG       PRO  46  -4.630   4.181 -18.354
  319   1HD   PRO  46          2HD       PRO  46  -3.626   6.383 -16.788
  320   2HD   PRO  46          1HD       PRO  46  -4.539   4.968 -16.222
  321    H    GLU  47           H        GLU  47  -0.629   5.980 -16.038
  322    HA   GLU  47           HA       GLU  47   1.316   6.816 -17.885
  323   1HB   GLU  47          2HB       GLU  47   0.485   7.887 -15.635
  324   2HB   GLU  47          1HB       GLU  47   1.840   7.005 -14.928
  325   1HG   GLU  47          2HG       GLU  47   3.250   8.068 -16.833
  326   2HG   GLU  47          1HG       GLU  47   1.899   9.188 -17.009
  327    H    GLY  48           H        GLY  48   1.416   4.165 -15.603
  328   1HA   GLY  48          2HA       GLY  48   2.933   2.310 -15.799
  329   2HA   GLY  48          1HA       GLY  48   4.012   3.322 -16.761
  330    H    LEU  49           H        LEU  49   3.603   5.523 -14.680
  331    HA   LEU  49           HA       LEU  49   4.594   4.639 -12.155
  332   1HB   LEU  49          2HB       LEU  49   6.572   4.142 -13.785
  333   2HB   LEU  49          1HB       LEU  49   6.800   5.888 -13.787
  334    HG   LEU  49           HG       LEU  49   6.433   4.708 -11.102
  335   1HD1  LEU  49          1HD1      LEU  49   8.900   4.097 -12.760
  336   2HD1  LEU  49          2HD1      LEU  49   7.753   2.915 -12.129
  337   3HD1  LEU  49          3HD1      LEU  49   8.762   3.843 -11.020
  338   1HD2  LEU  49          1HD2      LEU  49   8.405   6.621 -12.391
  339   2HD2  LEU  49          2HD2      LEU  49   8.420   6.201 -10.680
  340   3HD2  LEU  49          3HD2      LEU  49   7.033   7.044 -11.367
  341    H    PHE  50           H        PHE  50   3.036   6.268 -11.566
  342    HA   PHE  50           HA       PHE  50   3.603   9.046 -12.367
  343   1HB   PHE  50          2HB       PHE  50   1.596   9.573 -10.926
  344   2HB   PHE  50          1HB       PHE  50   1.270   8.502 -12.280
  345    HD1  PHE  50           HD1      PHE  50   3.107   6.784  -9.702
  346    HD2  PHE  50           HD2      PHE  50  -0.833   8.087 -10.816
  347    HE1  PHE  50           HE1      PHE  50   2.116   5.155  -8.136
  348    HE2  PHE  50           HE2      PHE  50  -1.814   6.444  -9.237
  349    HZ   PHE  50           HZ       PHE  50  -0.334   4.979  -7.901
  350    H    TYR  51           H        TYR  51   2.460   8.837  -9.145
  351    HA   TYR  51           HA       TYR  51   5.219   9.412  -8.160
  352   1HB   TYR  51          2HB       TYR  51   2.772  10.953  -7.955
  353   2HB   TYR  51          1HB       TYR  51   3.394  10.558  -6.354
  354    HD1  TYR  51           HD1      TYR  51   6.043  10.778  -6.124
  355    HD2  TYR  51           HD2      TYR  51   3.631  12.850  -9.012
  356    HE1  TYR  51           HE1      TYR  51   7.821  12.485  -6.382
  357    HE2  TYR  51           HE2      TYR  51   5.408  14.562  -9.268
  358    HH   TYR  51           HH       TYR  51   7.293  15.441  -8.088
  359    H    GLU  52           H        GLU  52   4.454   6.798  -8.194
  360    HA   GLU  52           HA       GLU  52   3.083   5.901  -5.835
  361   1HB   GLU  52          2HB       GLU  52   4.770   3.818  -6.400
  362   2HB   GLU  52          1HB       GLU  52   3.227   4.074  -7.185
  363   1HG   GLU  52          2HG       GLU  52   5.146   3.687  -8.770
  364   2HG   GLU  52          1HG       GLU  52   4.269   5.184  -9.055
  365    H    PHE  53           H        PHE  53   4.188   4.722  -3.993
  366    HA   PHE  53           HA       PHE  53   6.949   5.673  -3.439
  367   1HB   PHE  53          2HB       PHE  53   4.678   6.964  -2.381
  368   2HB   PHE  53          1HB       PHE  53   5.306   5.973  -1.065
  369    HD1  PHE  53           HD1      PHE  53   7.397   6.473  -0.009
  370    HD2  PHE  53           HD2      PHE  53   6.172   8.633  -3.517
  371    HE1  PHE  53           HE1      PHE  53   9.229   8.101   0.355
  372    HE2  PHE  53           HE2      PHE  53   8.005  10.261  -3.151
  373    HZ   PHE  53           HZ       PHE  53   9.534   9.996  -1.217
  374    H    GLU  54           H        GLU  54   7.817   4.610  -1.413
  375    HA   GLU  54           HA       GLU  54   7.322   1.768  -1.506
  376   1HB   GLU  54          2HB       GLU  54   8.845   1.776   0.553
  377   2HB   GLU  54          1HB       GLU  54   9.531   2.438  -0.930
  378   1HG   GLU  54          2HG       GLU  54   8.102   4.460   0.633
  379   2HG   GLU  54          1HG       GLU  54   9.427   3.726   1.529
  380    H    GLY  55           H        GLY  55   5.508   0.867  -0.661
  381   1HA   GLY  55          2HA       GLY  55   4.005   0.231   1.059
  382   2HA   GLY  55          1HA       GLY  55   4.788   1.393   2.131
  383    H    ARG  56           H        ARG  56   4.384   3.319  -0.325
  384    HA   ARG  56           HA       ARG  56   1.507   3.935   0.221
  385   1HB   ARG  56          2HB       ARG  56   3.222   6.250  -0.413
  386   2HB   ARG  56          1HB       ARG  56   1.971   6.083   0.816
  387   1HG   ARG  56          2HG       ARG  56   3.562   4.774   2.218
  388   2HG   ARG  56          1HG       ARG  56   4.814   5.044   1.004
  389   1HD   ARG  56          2HD       ARG  56   3.790   7.589   1.484
  390   2HD   ARG  56          1HD       ARG  56   3.823   6.851   3.082
  391    HE   ARG  56           HE       ARG  56   6.085   7.875   1.761
  392   1HH1  ARG  56          1HH2      ARG  56   5.097   4.863   3.144
  393   2HH1  ARG  56          2HH2      ARG  56   6.717   4.309   3.394
  394   1HH2  ARG  56          2HH1      ARG  56   8.183   7.161   2.094
  395   2HH2  ARG  56          1HH1      ARG  56   8.458   5.606   2.805
  396    H    LYS  57           H        LYS  57   1.116   5.964  -1.553
  397    HA   LYS  57           HA       LYS  57   2.326   5.651  -4.118
  398   1HB   LYS  57          2HB       LYS  57   0.407   4.482  -5.265
  399   2HB   LYS  57          1HB       LYS  57   1.330   3.443  -4.180
  400   1HG   LYS  57          2HG       LYS  57  -0.447   4.255  -2.396
  401   2HG   LYS  57          1HG       LYS  57  -1.422   4.581  -3.828
  402   1HD   LYS  57          2HD       LYS  57  -0.062   1.956  -3.815
  403   2HD   LYS  57          1HD       LYS  57  -1.309   2.157  -2.583
  404   1HE   LYS  57          2HE       LYS  57  -2.607   3.214  -4.714
  405   2HE   LYS  57          1HE       LYS  57  -1.562   2.053  -5.537
  406   1HZ   LYS  57          1HZ       LYS  57  -2.436   0.591  -3.487
  407   2HZ   LYS  57          2HZ       LYS  57  -3.197   0.632  -5.005
  408   3HZ   LYS  57          3HZ       LYS  57  -3.783   1.592  -3.732
  409    H    TYR  58           H        TYR  58   1.786   7.468  -5.244
  410    HA   TYR  58           HA       TYR  58  -0.897   8.673  -4.846
  411   1HB   TYR  58          2HB       TYR  58   1.689  10.220  -4.490
  412   2HB   TYR  58          1HB       TYR  58   0.059  10.889  -4.395
  413    HD1  TYR  58           HD1      TYR  58   2.720   9.315  -2.591
  414    HD2  TYR  58           HD2      TYR  58  -1.544   9.860  -2.634
  415    HE1  TYR  58           HE1      TYR  58   2.616   8.688  -0.194
  416    HE2  TYR  58           HE2      TYR  58  -1.646   9.232  -0.235
  417    HH   TYR  58           HH       TYR  58  -0.484   8.687   1.574
  418    H    CYS  59           H        CYS  59  -1.606   9.794  -6.652
  419    HA   CYS  59           HA       CYS  59   0.093   9.546  -9.066
  420   1HB   CYS  59          2HB       CYS  59  -2.035  10.395 -10.205
  421   2HB   CYS  59          1HB       CYS  59  -2.167   8.820  -9.419
  422    H    GLU  60           H        GLU  60  -0.407  11.696 -10.570
  423    HA   GLU  60           HA       GLU  60   1.028  13.802  -9.266
  424   1HB   GLU  60          2HB       GLU  60   0.841  13.399 -11.783
  425   2HB   GLU  60          1HB       GLU  60  -0.753  14.150 -11.692
  426   1HG   GLU  60          2HG       GLU  60   1.140  15.730 -12.308
  427   2HG   GLU  60          1HG       GLU  60   0.178  16.229 -10.920
  428    H    HIS  61           H        HIS  61  -2.105  12.795  -8.781
  429    HA   HIS  61           HA       HIS  61  -3.350  15.418  -8.453
  430   1HB   HIS  61          2HB       HIS  61  -5.098  13.998  -8.804
  431   2HB   HIS  61          1HB       HIS  61  -4.177  12.596  -8.279
  432    HD2  HIS  61           HD2      HIS  61  -5.850  15.670  -6.349
  433    HE1  HIS  61           HE1      HIS  61  -6.314  12.168  -4.040
  434    HE2  HIS  61           HE2      HIS  61  -6.813  14.652  -4.150
  435    H    ASP  62           H        ASP  62  -2.970  12.834  -5.992
  436    HA   ASP  62           HA       ASP  62  -3.136  14.601  -3.786
  437   1HB   ASP  62          2HB       ASP  62  -2.264  11.816  -4.221
  438   2HB   ASP  62          1HB       ASP  62  -1.504  12.605  -2.841
  439    H    PHE  63           H        PHE  63  -0.376  13.607  -5.744
  440    HA   PHE  63           HA       PHE  63   1.616  14.788  -4.057
  441   1HB   PHE  63          2HB       PHE  63   1.678  13.238  -6.333
  442   2HB   PHE  63          1HB       PHE  63   2.231  14.801  -6.930
  443    HD1  PHE  63           HD1      PHE  63   4.345  15.735  -6.241
  444    HD2  PHE  63           HD2      PHE  63   2.854  12.134  -4.434
  445    HE1  PHE  63           HE1      PHE  63   6.545  15.369  -5.154
  446    HE2  PHE  63           HE2      PHE  63   5.053  11.765  -3.350
  447    HZ   PHE  63           HZ       PHE  63   6.899  13.383  -3.710
  448    H    GLN  64           H        GLN  64  -0.154  16.062  -6.929
  449    HA   GLN  64           HA       GLN  64   1.152  18.660  -6.652
  450   1HB   GLN  64          2HB       GLN  64  -0.174  19.380  -8.472
  451   2HB   GLN  64          1HB       GLN  64   0.082  17.669  -8.804
  452   1HG   GLN  64          2HG       GLN  64  -2.112  17.131  -7.848
  453   2HG   GLN  64          1HG       GLN  64  -2.367  18.818  -7.425
  454   1HE2  GLN  64          1HE2      GLN  64  -1.566  16.842 -10.343
  455   2HE2  GLN  64          2HE2      GLN  64  -2.507  17.774 -11.406
  456    H    MET  65           H        MET  65  -1.030  17.093  -4.799
  457    HA   MET  65           HA       MET  65  -2.765  19.363  -4.125
  458   1HB   MET  65          2HB       MET  65  -3.165  16.718  -3.857
  459   2HB   MET  65          1HB       MET  65  -2.431  17.024  -2.283
  460   1HG   MET  65          2HG       MET  65  -4.102  18.919  -2.001
  461   2HG   MET  65          1HG       MET  65  -4.919  18.303  -3.437
  462   1HE   MET  65          1HE       MET  65  -7.160  17.801  -2.382
  463   2HE   MET  65          2HE       MET  65  -6.537  18.636  -0.961
  464   3HE   MET  65          3HE       MET  65  -7.369  17.095  -0.774
  465    H    LEU  66           H        LEU  66   0.183  17.840  -3.170
  466    HA   LEU  66           HA       LEU  66   0.549  19.717  -0.874
  467   1HB   LEU  66          2HB       LEU  66   2.497  17.542  -1.587
  468   2HB   LEU  66          1HB       LEU  66   2.065  18.171   0.004
  469    HG   LEU  66           HG       LEU  66   0.204  16.548  -1.749
  470   1HD1  LEU  66          1HD1      LEU  66   1.834  15.689   0.665
  471   2HD1  LEU  66          2HD1      LEU  66   2.142  15.205  -1.003
  472   3HD1  LEU  66          3HD1      LEU  66   0.663  14.689  -0.194
  473   1HD2  LEU  66          1HD2      LEU  66  -1.030  16.317   0.454
  474   2HD2  LEU  66          2HD2      LEU  66  -1.014  17.954  -0.198
  475   3HD2  LEU  66          3HD2      LEU  66   0.069  17.521   1.125
  476    H    PHE  67           H        PHE  67   1.448  19.020  -4.118
  477    HA   PHE  67           HA       PHE  67   3.991  20.445  -4.034
  478   1HB   PHE  67          2HB       PHE  67   3.013  18.524  -5.690
  479   2HB   PHE  67          1HB       PHE  67   2.722  19.965  -6.659
  480    HD1  PHE  67           HD1      PHE  67   5.203  17.651  -5.391
  481    HD2  PHE  67           HD2      PHE  67   4.658  21.545  -7.121
  482    HE1  PHE  67           HE1      PHE  67   7.607  17.722  -5.990
  483    HE2  PHE  67           HE2      PHE  67   7.063  21.615  -7.719
  484    HZ   PHE  67           HZ       PHE  67   8.539  19.704  -7.154
  485    H    ALA  68           H        ALA  68   1.929  22.099  -3.084
  486    HA   ALA  68           HA       ALA  68   0.982  24.224  -3.406
  487   1HB   ALA  68          1HB       ALA  68   2.316  25.758  -4.790
  488   2HB   ALA  68          2HB       ALA  68   3.174  24.388  -5.496
  489   3HB   ALA  68          3HB       ALA  68   3.369  24.763  -3.785
  490    HA   PRO  69           HA       PRO  69  -1.375  22.576  -7.064
  491   1HB   PRO  69          2HB       PRO  69  -3.761  23.224  -5.591
  492   2HB   PRO  69          1HB       PRO  69  -3.147  21.620  -6.017
  493   1HG   PRO  69          2HG       PRO  69  -3.166  22.858  -3.413
  494   2HG   PRO  69          1HG       PRO  69  -2.550  21.261  -3.850
  495   1HD   PRO  69          2HD       PRO  69  -1.030  23.609  -3.159
  496   2HD   PRO  69          1HD       PRO  69  -0.418  21.998  -3.588
  497    H    CYS  70           H        CYS  70  -1.115  24.285  -8.491
  498    HA   CYS  70           HA       CYS  70  -2.623  26.800  -7.886
  499   1HB   CYS  70          2HB       CYS  70   0.029  26.536  -9.340
  500   2HB   CYS  70          1HB       CYS  70  -0.870  28.037  -9.117
  501    HG   CYS  70           HG       CYS  70   0.000  26.467  -6.573
  Start of MODEL   25
    1    H    MET   1           1H       MET   1   0.397 -28.465  -4.357
    2    HA   MET   1           HA       MET   1   2.067 -30.202  -6.082
    3   1HB   MET   1          2HB       MET   1  -0.075 -31.380  -6.598
    4   2HB   MET   1          1HB       MET   1   0.437 -31.605  -4.925
    5   1HG   MET   1          2HG       MET   1  -1.113 -29.864  -4.182
    6   2HG   MET   1          1HG       MET   1  -1.583 -29.538  -5.850
    7   1HE   MET   1          1HE       MET   1  -4.071 -29.827  -5.314
    8   2HE   MET   1          2HE       MET   1  -3.650 -30.091  -3.623
    9   3HE   MET   1          3HE       MET   1  -4.762 -31.194  -4.430
   10    H    ALA   2           H        ALA   2   0.766 -27.238  -5.704
   11    HA   ALA   2           HA       ALA   2  -0.774 -26.904  -8.127
   12   1HB   ALA   2          1HB       ALA   2  -0.927 -25.324  -6.230
   13   2HB   ALA   2          2HB       ALA   2  -0.474 -24.490  -7.715
   14   3HB   ALA   2          3HB       ALA   2   0.749 -24.846  -6.496
   15    H    ASN   3           H        ASN   3   2.648 -26.700  -7.329
   16    HA   ASN   3           HA       ASN   3   4.535 -26.638  -8.713
   17   1HB   ASN   3          2HB       ASN   3   2.741 -26.812 -11.135
   18   2HB   ASN   3          1HB       ASN   3   4.376 -27.434 -10.925
   19   1HD2  ASN   3          1HD2      ASN   3   1.284 -28.527 -11.191
   20   2HD2  ASN   3          2HD2      ASN   3   1.377 -29.922 -10.228
   21    H    ALA   4           H        ALA   4   1.967 -24.970 -10.590
   22    HA   ALA   4           HA       ALA   4   3.383 -22.404 -10.184
   23   1HB   ALA   4          1HB       ALA   4   2.847 -23.592 -12.926
   24   2HB   ALA   4          2HB       ALA   4   4.432 -23.301 -12.210
   25   3HB   ALA   4          3HB       ALA   4   3.392 -21.940 -12.631
   26    H    LEU   5           H        LEU   5   1.824 -20.965  -9.661
   27    HA   LEU   5           HA       LEU   5  -0.642 -20.759 -11.214
   28   1HB   LEU   5          2HB       LEU   5  -0.907 -22.627  -9.361
   29   2HB   LEU   5          1HB       LEU   5  -1.072 -21.245  -8.279
   30    HG   LEU   5           HG       LEU   5  -2.780 -20.389 -10.090
   31   1HD1  LEU   5          1HD1      LEU   5  -2.786 -23.390 -10.552
   32   2HD1  LEU   5          2HD1      LEU   5  -2.290 -22.171 -11.725
   33   3HD1  LEU   5          3HD1      LEU   5  -3.970 -22.253 -11.197
   34   1HD2  LEU   5          1HD2      LEU   5  -4.593 -21.618  -8.899
   35   2HD2  LEU   5          2HD2      LEU   5  -3.391 -20.962  -7.787
   36   3HD2  LEU   5          3HD2      LEU   5  -3.377 -22.680  -8.188
   37    H    ALA   6           H        ALA   6  -1.096 -18.617 -11.294
   38    HA   ALA   6           HA       ALA   6  -1.040 -16.330 -10.796
   39   1HB   ALA   6          1HB       ALA   6  -2.524 -16.921  -8.977
   40   2HB   ALA   6          2HB       ALA   6  -1.349 -15.759  -8.362
   41   3HB   ALA   6          3HB       ALA   6  -1.172 -17.473  -7.990
   42    H    SER   7           H        SER   7   0.700 -17.114  -7.838
   43    HA   SER   7           HA       SER   7   2.885 -16.636  -7.153
   44   1HB   SER   7          2HB       SER   7   3.738 -16.556 -10.040
   45   2HB   SER   7          1HB       SER   7   4.637 -17.122  -8.636
   46    HG   SER   7           HG       SER   7   2.331 -18.493  -8.917
   47    H    ALA   8           H        ALA   8   2.687 -14.568  -6.361
   48    HA   ALA   8           HA       ALA   8   3.092 -12.265  -6.255
   49   1HB   ALA   8          1HB       ALA   8   4.059 -12.173  -9.086
   50   2HB   ALA   8          2HB       ALA   8   5.013 -13.081  -7.914
   51   3HB   ALA   8          3HB       ALA   8   4.698 -11.365  -7.655
   52    H    THR   9           H        THR   9   1.313 -11.006  -6.290
   53    HA   THR   9           HA       THR   9  -0.147 -10.699  -8.883
   54    HB   THR   9           HB       THR   9  -2.257 -10.667  -7.696
   55    HG1  THR   9           HG1      THR   9  -1.455  -9.650  -5.804
   56   1HG2  THR   9          1HG2      THR   9  -2.376 -12.938  -6.934
   57   2HG2  THR   9          2HG2      THR   9  -0.661 -12.956  -6.528
   58   3HG2  THR   9          3HG2      THR   9  -1.168 -12.900  -8.217
   59    H    CYS  10           H        CYS  10  -1.287  -8.611  -9.064
   60    HA   CYS  10           HA       CYS  10   0.348  -6.392  -8.352
   61   1HB   CYS  10          2HB       CYS  10  -1.337  -6.502 -10.230
   62   2HB   CYS  10          1HB       CYS  10  -2.583  -6.259  -9.021
   63    H    GLU  11           H        GLU  11  -0.051  -4.658  -6.905
   64    HA   GLU  11           HA       GLU  11  -0.915  -5.534  -4.282
   65   1HB   GLU  11          2HB       GLU  11   0.931  -4.048  -4.365
   66   2HB   GLU  11          1HB       GLU  11   0.085  -2.936  -5.437
   67   1HG   GLU  11          2HG       GLU  11   0.106  -1.981  -3.204
   68   2HG   GLU  11          1HG       GLU  11  -1.544  -2.477  -3.571
   69    H    ARG  12           H        ARG  12  -2.265  -3.286  -6.712
   70    HA   ARG  12           HA       ARG  12  -4.597  -2.841  -4.930
   71   1HB   ARG  12          2HB       ARG  12  -5.250  -1.129  -6.643
   72   2HB   ARG  12          1HB       ARG  12  -3.698  -0.827  -5.885
   73   1HG   ARG  12          2HG       ARG  12  -3.752  -2.415  -8.421
   74   2HG   ARG  12          1HG       ARG  12  -3.980  -0.674  -8.518
   75   1HD   ARG  12          2HD       ARG  12  -1.553  -2.233  -7.781
   76   2HD   ARG  12          1HD       ARG  12  -1.688  -0.708  -8.653
   77    HE   ARG  12           HE       ARG  12  -2.388   0.026  -6.112
   78   1HH1  ARG  12          1HH2      ARG  12   0.205  -1.773  -7.497
   79   2HH1  ARG  12          2HH2      ARG  12   1.350  -1.295  -6.289
   80   1HH2  ARG  12          2HH1      ARG  12  -0.909   0.654  -4.537
   81   2HH2  ARG  12          1HH1      ARG  12   0.721   0.077  -4.616
   82    H    CYS  13           H        CYS  13  -3.826  -4.241  -8.100
   83    HA   CYS  13           HA       CYS  13  -6.695  -4.961  -8.426
   84   1HB   CYS  13          2HB       CYS  13  -6.329  -4.993 -10.679
   85   2HB   CYS  13          1HB       CYS  13  -4.948  -3.985 -10.250
   86    H    LYS  14           H        LYS  14  -3.693  -6.347  -7.461
   87    HA   LYS  14           HA       LYS  14  -3.088  -8.549  -6.930
   88   1HB   LYS  14          2HB       LYS  14  -6.107  -8.735  -6.716
   89   2HB   LYS  14          1HB       LYS  14  -5.022 -10.043  -6.253
   90   1HG   LYS  14          2HG       LYS  14  -5.456  -8.834  -4.243
   91   2HG   LYS  14          1HG       LYS  14  -3.838  -8.347  -4.747
   92   1HD   LYS  14          2HD       LYS  14  -4.562  -6.243  -5.492
   93   2HD   LYS  14          1HD       LYS  14  -6.239  -6.767  -5.648
   94   1HE   LYS  14          2HE       LYS  14  -6.548  -6.788  -3.275
   95   2HE   LYS  14          1HE       LYS  14  -4.818  -6.613  -2.981
   96   1HZ   LYS  14          1HZ       LYS  14  -6.352  -4.553  -2.846
   97   2HZ   LYS  14          2HZ       LYS  14  -6.249  -4.570  -4.543
   98   3HZ   LYS  14          3HZ       LYS  14  -4.840  -4.417  -3.604
   99    H    GLY  15           H        GLY  15  -3.115  -7.937  -9.665
  100   1HA   GLY  15          2HA       GLY  15  -4.402 -10.242 -11.012
  101   2HA   GLY  15          1HA       GLY  15  -3.565  -8.912 -11.816
  102    H    GLY  16           H        GLY  16  -3.285 -12.121 -11.154
  103   1HA   GLY  16          2HA       GLY  16  -0.623 -12.481 -10.262
  104   2HA   GLY  16          1HA       GLY  16  -1.487 -13.623 -11.292
  105    H    PHE  17           H        PHE  17   0.953 -11.216 -11.181
  106    HA   PHE  17           HA       PHE  17   1.227 -11.321 -14.156
  107   1HB   PHE  17          2HB       PHE  17   2.753  -9.253 -13.715
  108   2HB   PHE  17          1HB       PHE  17   1.011  -9.045 -13.667
  109    HD1  PHE  17           HD1      PHE  17   1.231  -7.015 -12.269
  110    HD2  PHE  17           HD2      PHE  17   2.703 -10.822 -10.912
  111    HE1  PHE  17           HE1      PHE  17   1.428  -6.129  -9.978
  112    HE2  PHE  17           HE2      PHE  17   2.893  -9.922  -8.622
  113    HZ   PHE  17           HZ       PHE  17   2.251  -7.583  -8.155
  114    H    ALA  18           H        ALA  18   3.830 -10.642 -14.506
  115    HA   ALA  18           HA       ALA  18   5.696 -11.910 -12.751
  116   1HB   ALA  18          1HB       ALA  18   5.376 -14.086 -13.239
  117   2HB   ALA  18          2HB       ALA  18   5.962 -13.739 -14.864
  118   3HB   ALA  18          3HB       ALA  18   4.233 -13.690 -14.522
  119    HA   PRO  19           HA       PRO  19   7.769 -11.142 -17.090
  120   1HB   PRO  19          2HB       PRO  19   5.839  -9.701 -18.686
  121   2HB   PRO  19          1HB       PRO  19   6.627 -11.243 -19.048
  122   1HG   PRO  19          2HG       PRO  19   3.889 -10.819 -18.274
  123   2HG   PRO  19          1HG       PRO  19   4.694 -12.360 -18.598
  124   1HD   PRO  19          2HD       PRO  19   3.857 -11.310 -16.053
  125   2HD   PRO  19          1HD       PRO  19   4.669 -12.852 -16.381
  126    H    ALA  20           H        ALA  20   8.915  -9.187 -17.447
  127    HA   ALA  20           HA       ALA  20   8.613  -7.089 -15.567
  128   1HB   ALA  20          1HB       ALA  20  10.237  -5.860 -16.943
  129   2HB   ALA  20          2HB       ALA  20   9.959  -6.970 -18.284
  130   3HB   ALA  20          3HB       ALA  20  10.711  -7.552 -16.800
  131    H    GLU  21           H        GLU  21   6.880  -7.673 -18.480
  132    HA   GLU  21           HA       GLU  21   6.131  -4.886 -18.954
  133   1HB   GLU  21          2HB       GLU  21   6.205  -6.812 -20.688
  134   2HB   GLU  21          1HB       GLU  21   4.659  -7.308 -20.002
  135   1HG   GLU  21          2HG       GLU  21   4.025  -5.887 -21.769
  136   2HG   GLU  21          1HG       GLU  21   3.958  -4.828 -20.362
  137    H    LYS  22           H        LYS  22   4.691  -7.751 -17.440
  138    HA   LYS  22           HA       LYS  22   2.302  -6.195 -16.658
  139   1HB   LYS  22          2HB       LYS  22   3.046  -9.083 -16.095
  140   2HB   LYS  22          1HB       LYS  22   1.487  -8.338 -15.745
  141   1HG   LYS  22          2HG       LYS  22   2.665  -8.391 -18.531
  142   2HG   LYS  22          1HG       LYS  22   1.627  -9.678 -17.920
  143   1HD   LYS  22          2HD       LYS  22  -0.237  -8.434 -18.201
  144   2HD   LYS  22          1HD       LYS  22   0.488  -7.039 -17.403
  145   1HE   LYS  22          2HE       LYS  22   1.019  -7.852 -20.277
  146   2HE   LYS  22          1HE       LYS  22  -0.092  -6.576 -19.782
  147   1HZ   LYS  22          1HZ       LYS  22   1.646  -5.219 -19.813
  148   2HZ   LYS  22          2HZ       LYS  22   2.741  -6.502 -20.024
  149   3HZ   LYS  22          3HZ       LYS  22   2.255  -6.044 -18.463
  150    H    ILE  23           H        ILE  23   5.161  -7.698 -15.226
  151    HA   ILE  23           HA       ILE  23   4.370  -6.879 -12.514
  152    HB   ILE  23           HB       ILE  23   6.331  -8.681 -13.712
  153   1HG1  ILE  23          2HG1      ILE  23   4.499  -9.281 -12.124
  154   2HG1  ILE  23          1HG1      ILE  23   6.083  -9.828 -11.580
  155   1HG2  ILE  23          1HG2      ILE  23   7.999  -8.350 -11.797
  156   2HG2  ILE  23          2HG2      ILE  23   7.276  -6.757 -11.578
  157   3HG2  ILE  23          3HG2      ILE  23   8.064  -7.167 -13.102
  158   1HD1  ILE  23          1HD1      ILE  23   5.160  -8.859  -9.646
  159   2HD1  ILE  23          2HD1      ILE  23   4.427  -7.531 -10.544
  160   3HD1  ILE  23          3HD1      ILE  23   6.171  -7.567 -10.289
  161    H    VAL  24           H        VAL  24   4.761  -4.859 -11.787
  162    HA   VAL  24           HA       VAL  24   7.152  -3.403 -12.831
  163    HB   VAL  24           HB       VAL  24   4.580  -1.955 -12.215
  164   1HG1  VAL  24          1HG1      VAL  24   6.698  -0.688 -12.438
  165   2HG1  VAL  24          2HG1      VAL  24   5.561  -0.283 -13.724
  166   3HG1  VAL  24          3HG1      VAL  24   6.919  -1.359 -14.054
  167   1HG2  VAL  24          1HG2      VAL  24   3.934  -3.585 -13.905
  168   2HG2  VAL  24          2HG2      VAL  24   5.380  -3.234 -14.852
  169   3HG2  VAL  24          3HG2      VAL  24   4.114  -2.017 -14.691
  170    H    ASN  25           H        ASN  25   7.860  -4.414 -10.667
  171    HA   ASN  25           HA       ASN  25   6.741  -3.203  -8.256
  172   1HB   ASN  25          2HB       ASN  25   7.606  -5.391  -7.939
  173   2HB   ASN  25          1HB       ASN  25   9.113  -5.007  -8.772
  174   1HD2  ASN  25          1HD2      ASN  25  10.434  -3.158  -7.628
  175   2HD2  ASN  25          2HD2      ASN  25  10.442  -3.173  -5.931
  176    H    SER  26           H        SER  26   7.472  -1.391  -7.270
  177    HA   SER  26           HA       SER  26  10.151  -0.345  -7.746
  178   1HB   SER  26          2HB       SER  26   9.519   0.766  -9.638
  179   2HB   SER  26          1HB       SER  26   7.804   0.620  -9.263
  180    HG   SER  26           HG       SER  26   9.574   2.357  -7.877
  181    H    ASN  27           H        ASN  27  10.539   1.574  -6.380
  182    HA   ASN  27           HA       ASN  27  10.343   2.744  -4.366
  183   1HB   ASN  27          2HB       ASN  27   7.425   2.353  -5.036
  184   2HB   ASN  27          1HB       ASN  27   7.954   3.204  -3.592
  185   1HD2  ASN  27          1HD2      ASN  27   8.810   5.333  -3.834
  186   2HD2  ASN  27          2HD2      ASN  27   8.892   6.130  -5.331
  187    H    GLY  28           H        GLY  28   7.588   0.524  -3.970
  188   1HA   GLY  28          2HA       GLY  28   8.984  -1.378  -2.339
  189   2HA   GLY  28          1HA       GLY  28   8.194  -0.191  -1.302
  190    H    GLU  29           H        GLU  29   6.920  -1.301  -4.409
  191    HA   GLU  29           HA       GLU  29   5.007  -3.132  -3.150
  192   1HB   GLU  29          2HB       GLU  29   4.338  -0.350  -3.616
  193   2HB   GLU  29          1HB       GLU  29   3.303  -1.402  -4.581
  194   1HG   GLU  29          2HG       GLU  29   2.507  -2.550  -2.667
  195   2HG   GLU  29          1HG       GLU  29   3.819  -1.938  -1.659
  196    H    LEU  30           H        LEU  30   3.292  -3.733  -5.002
  197    HA   LEU  30           HA       LEU  30   4.841  -4.052  -7.550
  198   1HB   LEU  30          2HB       LEU  30   3.222  -5.934  -5.903
  199   2HB   LEU  30          1HB       LEU  30   3.017  -6.045  -7.649
  200    HG   LEU  30           HG       LEU  30   5.449  -6.298  -7.932
  201   1HD1  LEU  30          1HD1      LEU  30   5.426  -6.064  -4.912
  202   2HD1  LEU  30          2HD1      LEU  30   6.308  -5.063  -6.064
  203   3HD1  LEU  30          3HD1      LEU  30   6.787  -6.740  -5.808
  204   1HD2  LEU  30          1HD2      LEU  30   3.988  -8.166  -6.067
  205   2HD2  LEU  30          2HD2      LEU  30   5.641  -8.511  -6.574
  206   3HD2  LEU  30          3HD2      LEU  30   4.359  -8.385  -7.775
  207    H    TYR  31           H        TYR  31   3.871  -3.155  -9.323
  208    HA   TYR  31           HA       TYR  31   0.911  -2.793  -9.268
  209   1HB   TYR  31          2HB       TYR  31   2.472  -0.617 -10.555
  210   2HB   TYR  31          1HB       TYR  31   0.960  -0.518  -9.670
  211    HD1  TYR  31           HD1      TYR  31   4.502  -1.545  -8.870
  212    HD2  TYR  31           HD2      TYR  31   1.087   0.808  -7.773
  213    HE1  TYR  31           HE1      TYR  31   5.744  -0.671  -6.926
  214    HE2  TYR  31           HE2      TYR  31   2.324   1.679  -5.809
  215    HH   TYR  31           HH       TYR  31   5.559   1.555  -5.490
  216    H    HIS  32           H        HIS  32   0.012  -2.464 -11.411
  217    HA   HIS  32           HA       HIS  32   1.495  -3.953 -13.506
  218   1HB   HIS  32          2HB       HIS  32  -1.359  -3.188 -13.028
  219   2HB   HIS  32          1HB       HIS  32  -0.842  -3.390 -14.697
  220    HD2  HIS  32           HD2      HIS  32   0.432  -6.090 -15.099
  221    HE1  HIS  32           HE1      HIS  32  -1.938  -7.763 -12.036
  222    HE2  HIS  32           HE2      HIS  32  -0.456  -8.299 -14.026
  223    H    GLU  33           H        GLU  33   0.671  -2.822 -15.819
  224    HA   GLU  33           HA       GLU  33   2.064  -0.261 -15.803
  225   1HB   GLU  33          2HB       GLU  33   0.482  -1.336 -18.140
  226   2HB   GLU  33          1HB       GLU  33   1.927  -0.329 -18.167
  227   1HG   GLU  33          2HG       GLU  33   3.275  -2.196 -17.319
  228   2HG   GLU  33          1HG       GLU  33   1.834  -3.207 -17.212
  229    H    GLN  34           H        GLN  34  -1.141  -1.298 -15.315
  230    HA   GLN  34           HA       GLN  34  -2.076   1.519 -15.484
  231   1HB   GLN  34          2HB       GLN  34  -3.591  -0.877 -16.571
  232   2HB   GLN  34          1HB       GLN  34  -4.214   0.769 -16.482
  233   1HG   GLN  34          2HG       GLN  34  -3.422   0.848 -18.635
  234   2HG   GLN  34          1HG       GLN  34  -1.924   1.269 -17.808
  235   1HE2  GLN  34          1HE2      GLN  34  -1.549   0.112 -20.251
  236   2HE2  GLN  34          2HE2      GLN  34  -1.063  -1.507 -20.104
  237    H    CYS  35           H        CYS  35  -1.306   0.316 -13.137
  238    HA   CYS  35           HA       CYS  35  -3.935  -0.034 -11.758
  239   1HB   CYS  35          2HB       CYS  35  -1.402  -1.616 -11.352
  240   2HB   CYS  35          1HB       CYS  35  -2.667  -1.554 -10.143
  241    H    PHE  36           H        PHE  36  -0.894   1.479 -11.998
  242    HA   PHE  36           HA       PHE  36  -0.133   2.281  -9.455
  243   1HB   PHE  36          2HB       PHE  36  -0.274   3.778 -12.071
  244   2HB   PHE  36          1HB       PHE  36   0.300   4.571 -10.617
  245    HD1  PHE  36           HD1      PHE  36   0.789   1.123 -12.062
  246    HD2  PHE  36           HD2      PHE  36   2.608   4.720 -10.590
  247    HE1  PHE  36           HE1      PHE  36   3.036   0.126 -12.383
  248    HE2  PHE  36           HE2      PHE  36   4.850   3.719 -10.903
  249    HZ   PHE  36           HZ       PHE  36   5.064   1.421 -11.803
  250    H    VAL  37           H        VAL  37  -1.849   2.522  -7.965
  251    HA   VAL  37           HA       VAL  37  -3.974   4.502  -8.596
  252    HB   VAL  37           HB       VAL  37  -4.800   3.562  -6.256
  253   1HG1  VAL  37          1HG1      VAL  37  -6.125   1.930  -7.463
  254   2HG1  VAL  37          2HG1      VAL  37  -4.942   1.864  -8.768
  255   3HG1  VAL  37          3HG1      VAL  37  -5.895   3.324  -8.516
  256   1HG2  VAL  37          1HG2      VAL  37  -4.008   1.451  -5.665
  257   2HG2  VAL  37          2HG2      VAL  37  -2.527   2.222  -6.234
  258   3HG2  VAL  37          3HG2      VAL  37  -3.402   1.111  -7.285
  259    H    CYS  38           H        CYS  38  -4.724   5.788  -6.631
  260    HA   CYS  38           HA       CYS  38  -2.358   7.137  -5.440
  261   1HB   CYS  38          2HB       CYS  38  -4.077   8.500  -6.620
  262   2HB   CYS  38          1HB       CYS  38  -5.285   7.940  -5.468
  263    H    ALA  39           H        ALA  39  -1.871   6.739  -3.331
  264    HA   ALA  39           HA       ALA  39  -3.204   4.820  -1.737
  265   1HB   ALA  39          1HB       ALA  39  -0.944   5.397  -1.193
  266   2HB   ALA  39          2HB       ALA  39  -1.927   5.897   0.182
  267   3HB   ALA  39          3HB       ALA  39  -1.361   7.096  -0.981
  268    H    GLN  40           H        GLN  40  -4.350   7.869  -2.560
  269    HA   GLN  40           HA       GLN  40  -6.052   7.970  -0.098
  270   1HB   GLN  40          2HB       GLN  40  -5.402  10.303  -1.914
  271   2HB   GLN  40          1HB       GLN  40  -6.173  10.357  -0.328
  272   1HG   GLN  40          2HG       GLN  40  -3.810   9.002   0.184
  273   2HG   GLN  40          1HG       GLN  40  -3.324  10.202  -1.011
  274   1HE2  GLN  40          1HE2      GLN  40  -2.431  11.908   0.149
  275   2HE2  GLN  40          2HE2      GLN  40  -3.144  12.634   1.511
  276    H    CYS  41           H        CYS  41  -6.241   9.305  -3.433
  277    HA   CYS  41           HA       CYS  41  -9.128   8.887  -3.470
  278   1HB   CYS  41          2HB       CYS  41  -9.090   9.908  -5.626
  279   2HB   CYS  41          1HB       CYS  41  -7.867  10.752  -4.680
  280    H    PHE  42           H        PHE  42  -6.477   6.880  -4.025
  281    HA   PHE  42           HA       PHE  42  -6.268   4.735  -4.933
  282   1HB   PHE  42          2HB       PHE  42  -9.290   4.650  -4.926
  283   2HB   PHE  42          1HB       PHE  42  -8.165   3.300  -4.781
  284    HD1  PHE  42           HD1      PHE  42 -10.387   5.143  -2.931
  285    HD2  PHE  42           HD2      PHE  42  -6.279   3.889  -2.799
  286    HE1  PHE  42           HE1      PHE  42 -10.384   5.407  -0.465
  287    HE2  PHE  42           HE2      PHE  42  -6.278   4.154  -0.334
  288    HZ   PHE  42           HZ       PHE  42  -8.329   4.912   0.833
  289    H    GLN  43           H        GLN  43  -7.017   7.226  -6.677
  290    HA   GLN  43           HA       GLN  43  -8.317   6.107  -9.017
  291   1HB   GLN  43          2HB       GLN  43  -8.298   8.542  -8.568
  292   2HB   GLN  43          1HB       GLN  43  -6.543   8.559  -8.740
  293   1HG   GLN  43          2HG       GLN  43  -7.359   7.311 -11.071
  294   2HG   GLN  43          1HG       GLN  43  -8.623   8.512 -10.815
  295   1HE2  GLN  43          1HE2      GLN  43  -5.196   8.083 -11.525
  296   2HE2  GLN  43          2HE2      GLN  43  -4.868   9.720 -11.831
  297    H    GLN  44           H        GLN  44  -7.367   4.753 -10.479
  298    HA   GLN  44           HA       GLN  44  -4.604   3.987 -10.239
  299   1HB   GLN  44          2HB       GLN  44  -5.060   2.715 -12.349
  300   2HB   GLN  44          1HB       GLN  44  -6.186   2.369 -11.050
  301   1HG   GLN  44          2HG       GLN  44  -7.860   3.834 -12.024
  302   2HG   GLN  44          1HG       GLN  44  -6.718   4.382 -13.253
  303   1HE2  GLN  44          1HE2      GLN  44  -9.341   2.459 -13.025
  304   2HE2  GLN  44          2HE2      GLN  44  -8.944   1.251 -14.148
  305    H    PHE  45           H        PHE  45  -3.311   3.934 -12.451
  306    HA   PHE  45           HA       PHE  45  -3.609   6.421 -13.998
  307   1HB   PHE  45          2HB       PHE  45  -2.107   6.588 -11.736
  308   2HB   PHE  45          1HB       PHE  45  -0.879   6.076 -12.891
  309    HD1  PHE  45           HD1      PHE  45  -2.959   8.807 -11.752
  310    HD2  PHE  45           HD2      PHE  45  -0.594   7.384 -15.040
  311    HE1  PHE  45           HE1      PHE  45  -2.851  11.110 -12.669
  312    HE2  PHE  45           HE2      PHE  45  -0.484   9.687 -15.960
  313    HZ   PHE  45           HZ       PHE  45  -1.614  11.550 -14.773
  314    HA   PRO  46           HA       PRO  46  -2.260   3.342 -16.929
  315   1HB   PRO  46          2HB       PRO  46  -2.043   5.359 -18.945
  316   2HB   PRO  46          1HB       PRO  46  -3.347   4.188 -18.725
  317   1HG   PRO  46          2HG       PRO  46  -3.416   7.032 -18.204
  318   2HG   PRO  46          1HG       PRO  46  -4.729   5.860 -18.028
  319   1HD   PRO  46          2HD       PRO  46  -3.233   7.152 -15.934
  320   2HD   PRO  46          1HD       PRO  46  -4.536   5.956 -15.764
  321    H    GLU  47           H        GLU  47  -0.436   3.562 -18.811
  322    HA   GLU  47           HA       GLU  47   1.829   3.868 -19.328
  323   1HB   GLU  47          2HB       GLU  47   1.926   6.033 -17.213
  324   2HB   GLU  47          1HB       GLU  47   2.960   5.847 -18.625
  325   1HG   GLU  47          2HG       GLU  47   0.016   6.572 -18.613
  326   2HG   GLU  47          1HG       GLU  47   1.361   7.602 -19.100
  327    H    GLY  48           H        GLY  48   0.973   3.897 -15.887
  328   1HA   GLY  48          2HA       GLY  48   1.749   2.401 -14.224
  329   2HA   GLY  48          1HA       GLY  48   2.876   1.722 -15.399
  330    H    LEU  49           H        LEU  49   2.446   5.086 -14.266
  331    HA   LEU  49           HA       LEU  49   4.814   5.109 -12.641
  332   1HB   LEU  49          2HB       LEU  49   5.607   4.921 -15.173
  333   2HB   LEU  49          1HB       LEU  49   5.289   6.654 -15.164
  334    HG   LEU  49           HG       LEU  49   6.992   5.285 -13.066
  335   1HD1  LEU  49          1HD1      LEU  49   8.940   6.127 -14.325
  336   2HD1  LEU  49          2HD1      LEU  49   7.868   6.715 -15.595
  337   3HD1  LEU  49          3HD1      LEU  49   8.013   4.983 -15.294
  338   1HD2  LEU  49          1HD2      LEU  49   6.369   7.369 -12.207
  339   2HD2  LEU  49          2HD2      LEU  49   6.298   8.119 -13.801
  340   3HD2  LEU  49          3HD2      LEU  49   7.859   7.778 -13.056
  341    H    PHE  50           H        PHE  50   4.258   6.655 -11.213
  342    HA   PHE  50           HA       PHE  50   3.523   9.327 -12.172
  343   1HB   PHE  50          2HB       PHE  50   1.475   9.475 -10.794
  344   2HB   PHE  50          1HB       PHE  50   1.321   8.273 -12.065
  345    HD1  PHE  50           HD1      PHE  50   3.492   6.932  -9.581
  346    HD2  PHE  50           HD2      PHE  50  -0.653   7.748 -10.373
  347    HE1  PHE  50           HE1      PHE  50   2.829   5.251  -7.893
  348    HE2  PHE  50           HE2      PHE  50  -1.303   6.063  -8.682
  349    HZ   PHE  50           HZ       PHE  50   0.438   4.814  -7.444
  350    H    TYR  51           H        TYR  51   2.448   9.583  -9.184
  351    HA   TYR  51           HA       TYR  51   5.161  10.153  -8.135
  352   1HB   TYR  51          2HB       TYR  51   2.552  11.351  -7.822
  353   2HB   TYR  51          1HB       TYR  51   3.218  10.936  -6.243
  354    HD1  TYR  51           HD1      TYR  51   5.759  11.511  -5.889
  355    HD2  TYR  51           HD2      TYR  51   3.244  13.344  -8.850
  356    HE1  TYR  51           HE1      TYR  51   7.321  13.426  -6.025
  357    HE2  TYR  51           HE2      TYR  51   4.806  15.267  -8.985
  358    HH   TYR  51           HH       TYR  51   6.692  16.241  -7.029
  359    H    GLU  52           H        GLU  52   4.989   7.535  -8.234
  360    HA   GLU  52           HA       GLU  52   3.715   6.170  -6.096
  361   1HB   GLU  52          2HB       GLU  52   4.790   5.279  -8.274
  362   2HB   GLU  52          1HB       GLU  52   6.314   5.339  -7.384
  363   1HG   GLU  52          2HG       GLU  52   5.422   3.881  -5.680
  364   2HG   GLU  52          1HG       GLU  52   3.836   3.895  -6.443
  365    H    PHE  53           H        PHE  53   4.783   5.246  -4.177
  366    HA   PHE  53           HA       PHE  53   7.267   6.626  -3.302
  367   1HB   PHE  53          2HB       PHE  53   4.638   7.283  -2.365
  368   2HB   PHE  53          1HB       PHE  53   5.514   6.503  -1.048
  369    HD1  PHE  53           HD1      PHE  53   7.253   7.632   0.107
  370    HD2  PHE  53           HD2      PHE  53   5.734   9.248  -3.577
  371    HE1  PHE  53           HE1      PHE  53   8.551   9.710   0.480
  372    HE2  PHE  53           HE2      PHE  53   7.033  11.324  -3.199
  373    HZ   PHE  53           HZ       PHE  53   8.442  11.556  -1.172
  374    H    GLU  54           H        GLU  54   8.154   5.568  -1.283
  375    HA   GLU  54           HA       GLU  54   8.160   2.699  -1.612
  376   1HB   GLU  54          2HB       GLU  54  10.020   4.283  -0.681
  377   2HB   GLU  54          1HB       GLU  54   9.183   4.085   0.858
  378   1HG   GLU  54          2HG       GLU  54   9.357   1.490  -0.202
  379   2HG   GLU  54          1HG       GLU  54  10.928   2.220  -0.533
  380    H    GLY  55           H        GLY  55   6.760   1.258  -0.758
  381   1HA   GLY  55          2HA       GLY  55   5.250   0.266   0.749
  382   2HA   GLY  55          1HA       GLY  55   5.678   1.514   1.918
  383    H    ARG  56           H        ARG  56   4.893   3.212  -0.755
  384    HA   ARG  56           HA       ARG  56   1.953   3.099  -0.454
  385   1HB   ARG  56          2HB       ARG  56   3.690   5.378   0.470
  386   2HB   ARG  56          1HB       ARG  56   2.079   5.712  -0.164
  387   1HG   ARG  56          2HG       ARG  56   1.240   3.919   1.479
  388   2HG   ARG  56          1HG       ARG  56   2.826   4.043   2.240
  389   1HD   ARG  56          2HD       ARG  56   1.767   6.687   1.769
  390   2HD   ARG  56          1HD       ARG  56   0.589   5.724   2.661
  391    HE   ARG  56           HE       ARG  56   2.971   5.226   3.982
  392   1HH1  ARG  56          1HH2      ARG  56   1.207   8.032   3.007
  393   2HH1  ARG  56          2HH2      ARG  56   1.756   8.996   4.337
  394   1HH2  ARG  56          2HH1      ARG  56   3.690   6.474   5.716
  395   2HH2  ARG  56          1HH1      ARG  56   3.159   8.116   5.868
  396    H    LYS  57           H        LYS  57   1.361   5.464  -1.796
  397    HA   LYS  57           HA       LYS  57   2.976   5.951  -4.097
  398   1HB   LYS  57          2HB       LYS  57   1.921   4.717  -5.809
  399   2HB   LYS  57          1HB       LYS  57   2.140   3.549  -4.510
  400   1HG   LYS  57          2HG       LYS  57  -0.403   5.143  -4.858
  401   2HG   LYS  57          1HG       LYS  57  -0.157   3.566  -5.604
  402   1HD   LYS  57          2HD       LYS  57   0.379   2.677  -3.289
  403   2HD   LYS  57          1HD       LYS  57  -0.185   4.223  -2.652
  404   1HE   LYS  57          2HE       LYS  57  -2.361   3.882  -3.797
  405   2HE   LYS  57          1HE       LYS  57  -1.786   2.317  -4.362
  406   1HZ   LYS  57          1HZ       LYS  57  -3.122   2.112  -2.350
  407   2HZ   LYS  57          2HZ       LYS  57  -2.038   3.120  -1.517
  408   3HZ   LYS  57          3HZ       LYS  57  -1.527   1.602  -2.081
  409    H    TYR  58           H        TYR  58   2.055   7.595  -5.428
  410    HA   TYR  58           HA       TYR  58  -0.675   8.538  -4.735
  411   1HB   TYR  58          2HB       TYR  58   1.840  10.218  -4.477
  412   2HB   TYR  58          1HB       TYR  58   0.205  10.872  -4.431
  413    HD1  TYR  58           HD1      TYR  58   2.811   9.147  -2.591
  414    HD2  TYR  58           HD2      TYR  58  -1.376  10.133  -2.588
  415    HE1  TYR  58           HE1      TYR  58   2.685   8.610  -0.175
  416    HE2  TYR  58           HE2      TYR  58  -1.495   9.593  -0.170
  417    HH   TYR  58           HH       TYR  58  -0.386   8.914   1.618
  418    H    CYS  59           H        CYS  59  -1.680   9.429  -6.524
  419    HA   CYS  59           HA       CYS  59  -0.162   9.432  -9.047
  420   1HB   CYS  59          2HB       CYS  59  -2.368  10.061 -10.058
  421   2HB   CYS  59          1HB       CYS  59  -2.447   8.570  -9.117
  422    H    GLU  60           H        GLU  60  -0.663  11.508 -10.489
  423    HA   GLU  60           HA       GLU  60   0.657  13.700  -9.274
  424   1HB   GLU  60          2HB       GLU  60   0.458  13.378 -11.736
  425   2HB   GLU  60          1HB       GLU  60  -1.253  13.793 -11.632
  426   1HG   GLU  60          2HG       GLU  60   0.268  15.713 -12.296
  427   2HG   GLU  60          1HG       GLU  60  -0.751  16.028 -10.894
  428    H    HIS  61           H        HIS  61  -2.655  12.705  -9.076
  429    HA   HIS  61           HA       HIS  61  -3.858  15.243  -8.507
  430   1HB   HIS  61          2HB       HIS  61  -5.582  13.762  -8.732
  431   2HB   HIS  61          1HB       HIS  61  -4.600  12.401  -8.205
  432    HD2  HIS  61           HD2      HIS  61  -6.278  15.504  -6.327
  433    HE1  HIS  61           HE1      HIS  61  -6.375  12.136  -3.786
  434    HE2  HIS  61           HE2      HIS  61  -7.015  14.581  -4.002
  435    H    ASP  62           H        ASP  62  -3.159  12.699  -6.095
  436    HA   ASP  62           HA       ASP  62  -3.381  14.331  -3.829
  437   1HB   ASP  62          2HB       ASP  62  -2.807  11.711  -4.235
  438   2HB   ASP  62          1HB       ASP  62  -1.232  12.312  -3.733
  439    H    PHE  63           H        PHE  63  -0.465  13.625  -5.736
  440    HA   PHE  63           HA       PHE  63   1.257  15.221  -4.100
  441   1HB   PHE  63          2HB       PHE  63   1.583  13.448  -6.207
  442   2HB   PHE  63          1HB       PHE  63   2.138  14.988  -6.866
  443    HD1  PHE  63           HD1      PHE  63   3.995  16.224  -5.807
  444    HD2  PHE  63           HD2      PHE  63   2.713  12.400  -4.327
  445    HE1  PHE  63           HE1      PHE  63   6.072  16.047  -4.464
  446    HE2  PHE  63           HE2      PHE  63   4.790  12.220  -2.987
  447    HZ   PHE  63           HZ       PHE  63   6.471  14.045  -3.054
  448    H    GLN  64           H        GLN  64  -0.798  16.096  -6.890
  449    HA   GLN  64           HA       GLN  64   0.538  18.651  -7.252
  450   1HB   GLN  64          2HB       GLN  64  -1.147  19.206  -8.792
  451   2HB   GLN  64          1HB       GLN  64  -1.063  17.456  -8.923
  452   1HG   GLN  64          2HG       GLN  64  -3.311  17.532  -8.587
  453   2HG   GLN  64          1HG       GLN  64  -2.892  17.774  -6.895
  454   1HE2  GLN  64          1HE2      GLN  64  -3.301  19.732  -9.901
  455   2HE2  GLN  64          2HE2      GLN  64  -3.991  21.065  -9.110
  456    H    MET  65           H        MET  65  -1.795  17.414  -5.045
  457    HA   MET  65           HA       MET  65  -2.874  19.972  -4.185
  458   1HB   MET  65          2HB       MET  65  -2.775  17.262  -2.812
  459   2HB   MET  65          1HB       MET  65  -3.650  18.660  -2.188
  460   1HG   MET  65          2HG       MET  65  -4.135  17.582  -4.970
  461   2HG   MET  65          1HG       MET  65  -5.017  16.979  -3.568
  462   1HE   MET  65          1HE       MET  65  -7.462  19.532  -2.585
  463   2HE   MET  65          2HE       MET  65  -6.110  18.734  -1.786
  464   3HE   MET  65          3HE       MET  65  -7.130  17.822  -2.897
  465    H    LEU  66           H        LEU  66  -0.198  17.867  -3.296
  466    HA   LEU  66           HA       LEU  66   0.636  19.443  -0.986
  467   1HB   LEU  66          2HB       LEU  66   2.539  17.744  -2.588
  468   2HB   LEU  66          1HB       LEU  66   2.458  17.968  -0.841
  469    HG   LEU  66           HG       LEU  66   0.488  16.419  -2.543
  470   1HD1  LEU  66          1HD1      LEU  66   1.336  14.469  -1.342
  471   2HD1  LEU  66          2HD1      LEU  66   2.413  15.492  -0.391
  472   3HD1  LEU  66          3HD1      LEU  66   2.677  15.304  -2.125
  473   1HD2  LEU  66          1HD2      LEU  66  -0.487  15.789  -0.308
  474   2HD2  LEU  66          2HD2      LEU  66  -0.696  17.493  -0.709
  475   3HD2  LEU  66          3HD2      LEU  66   0.553  17.004   0.435
  476    H    PHE  67           H        PHE  67   0.955  19.585  -4.395
  477    HA   PHE  67           HA       PHE  67   1.916  21.114  -5.838
  478   1HB   PHE  67          2HB       PHE  67   2.134  22.677  -3.258
  479   2HB   PHE  67          1HB       PHE  67   2.600  23.341  -4.822
  480    HD1  PHE  67           HD1      PHE  67  -0.055  23.018  -2.533
  481    HD2  PHE  67           HD2      PHE  67   0.773  22.975  -6.750
  482    HE1  PHE  67           HE1      PHE  67  -2.427  23.556  -3.006
  483    HE2  PHE  67           HE2      PHE  67  -1.601  23.511  -7.220
  484    HZ   PHE  67           HZ       PHE  67  -3.202  23.802  -5.348
  485    H    ALA  68           H        ALA  68   3.584  19.294  -3.755
  486    HA   ALA  68           HA       ALA  68   5.852  18.774  -3.439
  487   1HB   ALA  68          1HB       ALA  68   5.603  18.352  -5.873
  488   2HB   ALA  68          2HB       ALA  68   7.222  18.922  -5.468
  489   3HB   ALA  68          3HB       ALA  68   6.056  20.026  -6.195
  490    HA   PRO  69           HA       PRO  69   6.761  23.140  -2.150
  491   1HB   PRO  69          2HB       PRO  69   7.598  22.041   0.375
  492   2HB   PRO  69          1HB       PRO  69   6.182  23.049   0.045
  493   1HG   PRO  69          2HG       PRO  69   6.223  20.238   0.671
  494   2HG   PRO  69          1HG       PRO  69   4.814  21.247   0.313
  495   1HD   PRO  69          2HD       PRO  69   6.033  19.232  -1.367
  496   2HD   PRO  69          1HD       PRO  69   4.591  20.209  -1.700
  497    H    CYS  70           H        CYS  70   8.833  23.993  -2.298
  498    HA   CYS  70           HA       CYS  70  11.025  22.192  -2.959
  499   1HB   CYS  70          2HB       CYS  70  10.968  25.196  -2.531
  500   2HB   CYS  70          1HB       CYS  70  12.340  24.295  -3.177
  501    HG   CYS  70           HG       CYS  70   9.629  24.070  -4.686